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 Set 1.1: A 19 MET CE :methyl -156:sc= -0.0343 (180deg=-0.218) USER MOD Set 1.2: A 42 MET CE :methyl -171:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 15 SER OG : rot 111:sc= 0.783 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0586) USER MOD Single : A 33 THR OG1 : rot 54:sc= 0.494 USER MOD Single : A 35 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -2.75 X(o=-2.8,f=-2.4) USER MOD Single : A 59 SER OG : rot 54:sc= -0.17 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 22.777 -9.978 8.964 1.00 0.00 N ATOM 2 CA GLY A 1 22.730 -8.696 8.281 1.00 0.00 C ATOM 3 C GLY A 1 23.995 -7.881 8.556 1.00 0.00 C ATOM 4 O GLY A 1 23.940 -6.847 9.219 1.00 0.00 O ATOM 0 H1 GLY A 1 21.908 -10.511 8.761 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.601 -10.519 8.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.857 -9.822 9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.622 -8.855 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.854 -8.137 8.610 1.00 0.00 H new ATOM 8 N SER A 2 25.106 -8.378 8.032 1.00 0.00 N ATOM 9 CA SER A 2 26.383 -7.709 8.214 1.00 0.00 C ATOM 10 C SER A 2 27.191 -7.763 6.915 1.00 0.00 C ATOM 11 O SER A 2 27.565 -6.726 6.369 1.00 0.00 O ATOM 12 CB SER A 2 27.178 -8.339 9.359 1.00 0.00 C ATOM 13 OG SER A 2 27.148 -7.534 10.535 1.00 0.00 O ATOM 0 H SER A 2 25.148 -9.236 7.482 1.00 0.00 H new ATOM 0 HA SER A 2 26.189 -6.668 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.771 -9.325 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.212 -8.485 9.046 1.00 0.00 H new ATOM 0 HG SER A 2 27.665 -7.971 11.244 1.00 0.00 H new ATOM 19 N SER A 3 27.437 -8.982 6.459 1.00 0.00 N ATOM 20 CA SER A 3 28.193 -9.185 5.235 1.00 0.00 C ATOM 21 C SER A 3 27.462 -8.542 4.055 1.00 0.00 C ATOM 22 O SER A 3 26.293 -8.836 3.809 1.00 0.00 O ATOM 23 CB SER A 3 28.422 -10.674 4.969 1.00 0.00 C ATOM 24 OG SER A 3 29.723 -11.095 5.371 1.00 0.00 O ATOM 0 H SER A 3 27.126 -9.840 6.915 1.00 0.00 H new ATOM 0 HA SER A 3 29.167 -8.711 5.353 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.671 -11.257 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.287 -10.877 3.907 1.00 0.00 H new ATOM 0 HG SER A 3 29.829 -12.052 5.186 1.00 0.00 H new ATOM 30 N GLY A 4 28.181 -7.675 3.356 1.00 0.00 N ATOM 31 CA GLY A 4 27.615 -6.987 2.208 1.00 0.00 C ATOM 32 C GLY A 4 28.710 -6.315 1.378 1.00 0.00 C ATOM 33 O GLY A 4 29.175 -5.229 1.720 1.00 0.00 O ATOM 0 H GLY A 4 29.150 -7.434 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.067 -7.697 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.898 -6.238 2.545 1.00 0.00 H new ATOM 37 N SER A 5 29.090 -6.989 0.302 1.00 0.00 N ATOM 38 CA SER A 5 30.122 -6.470 -0.580 1.00 0.00 C ATOM 39 C SER A 5 29.571 -5.300 -1.398 1.00 0.00 C ATOM 40 O SER A 5 28.366 -5.053 -1.401 1.00 0.00 O ATOM 41 CB SER A 5 30.653 -7.563 -1.509 1.00 0.00 C ATOM 42 OG SER A 5 32.066 -7.711 -1.406 1.00 0.00 O ATOM 0 H SER A 5 28.702 -7.890 0.021 1.00 0.00 H new ATOM 0 HA SER A 5 30.951 -6.118 0.034 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.171 -8.510 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.388 -7.324 -2.539 1.00 0.00 H new ATOM 0 HG SER A 5 32.366 -8.419 -2.013 1.00 0.00 H new ATOM 48 N SER A 6 30.480 -4.611 -2.072 1.00 0.00 N ATOM 49 CA SER A 6 30.101 -3.473 -2.891 1.00 0.00 C ATOM 50 C SER A 6 28.803 -3.778 -3.642 1.00 0.00 C ATOM 51 O SER A 6 28.769 -4.664 -4.495 1.00 0.00 O ATOM 52 CB SER A 6 31.212 -3.110 -3.878 1.00 0.00 C ATOM 53 OG SER A 6 31.732 -1.804 -3.640 1.00 0.00 O ATOM 0 H SER A 6 31.478 -4.819 -2.067 1.00 0.00 H new ATOM 0 HA SER A 6 29.942 -2.618 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.018 -3.840 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.826 -3.167 -4.896 1.00 0.00 H new ATOM 0 HG SER A 6 32.440 -1.610 -4.289 1.00 0.00 H new ATOM 59 N GLY A 7 27.767 -3.028 -3.298 1.00 0.00 N ATOM 60 CA GLY A 7 26.470 -3.207 -3.929 1.00 0.00 C ATOM 61 C GLY A 7 25.443 -2.228 -3.359 1.00 0.00 C ATOM 62 O GLY A 7 25.727 -1.512 -2.400 1.00 0.00 O ATOM 0 H GLY A 7 27.799 -2.294 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.561 -3.058 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.126 -4.230 -3.777 1.00 0.00 H new ATOM 66 N ALA A 8 24.268 -2.228 -3.973 1.00 0.00 N ATOM 67 CA ALA A 8 23.197 -1.348 -3.538 1.00 0.00 C ATOM 68 C ALA A 8 21.869 -2.108 -3.584 1.00 0.00 C ATOM 69 O ALA A 8 20.975 -1.756 -4.352 1.00 0.00 O ATOM 70 CB ALA A 8 23.180 -0.092 -4.412 1.00 0.00 C ATOM 0 H ALA A 8 24.035 -2.823 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 8 23.359 -1.026 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.376 0.568 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.134 0.427 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.017 -0.375 -5.452 1.00 0.00 H new ATOM 76 N GLU A 9 21.783 -3.134 -2.751 1.00 0.00 N ATOM 77 CA GLU A 9 20.580 -3.946 -2.686 1.00 0.00 C ATOM 78 C GLU A 9 20.316 -4.391 -1.246 1.00 0.00 C ATOM 79 O GLU A 9 20.749 -5.466 -0.835 1.00 0.00 O ATOM 80 CB GLU A 9 20.682 -5.153 -3.622 1.00 0.00 C ATOM 81 CG GLU A 9 20.233 -4.787 -5.039 1.00 0.00 C ATOM 82 CD GLU A 9 21.362 -5.014 -6.047 1.00 0.00 C ATOM 83 OE1 GLU A 9 21.716 -6.196 -6.245 1.00 0.00 O ATOM 84 OE2 GLU A 9 21.845 -4.000 -6.596 1.00 0.00 O ATOM 0 H GLU A 9 22.527 -3.422 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 9 19.738 -3.339 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 9 21.710 -5.515 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.066 -5.967 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.367 -5.387 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.920 -3.743 -5.067 1.00 0.00 H new ATOM 91 N LEU A 10 19.606 -3.540 -0.519 1.00 0.00 N ATOM 92 CA LEU A 10 19.279 -3.831 0.866 1.00 0.00 C ATOM 93 C LEU A 10 18.729 -5.256 0.967 1.00 0.00 C ATOM 94 O LEU A 10 19.369 -6.132 1.546 1.00 0.00 O ATOM 95 CB LEU A 10 18.335 -2.767 1.429 1.00 0.00 C ATOM 96 CG LEU A 10 18.997 -1.479 1.925 1.00 0.00 C ATOM 97 CD1 LEU A 10 19.605 -1.675 3.315 1.00 0.00 C ATOM 98 CD2 LEU A 10 20.027 -0.968 0.915 1.00 0.00 C ATOM 0 H LEU A 10 19.248 -2.649 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 10 20.175 -3.789 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.611 -2.506 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 10 17.776 -3.206 2.255 1.00 0.00 H new ATOM 0 HG LEU A 10 18.228 -0.712 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.069 -0.745 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 10 18.822 -1.958 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 10 20.358 -2.462 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 10 20.483 -0.052 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.799 -1.724 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.534 -0.764 -0.036 1.00 0.00 H new ATOM 110 N THR A 11 17.549 -5.442 0.395 1.00 0.00 N ATOM 111 CA THR A 11 16.905 -6.745 0.413 1.00 0.00 C ATOM 112 C THR A 11 15.961 -6.890 -0.782 1.00 0.00 C ATOM 113 O THR A 11 16.242 -6.379 -1.865 1.00 0.00 O ATOM 114 CB THR A 11 16.205 -6.907 1.764 1.00 0.00 C ATOM 115 OG1 THR A 11 15.218 -5.880 1.769 1.00 0.00 O ATOM 116 CG2 THR A 11 17.116 -6.555 2.942 1.00 0.00 C ATOM 0 H THR A 11 17.021 -4.712 -0.084 1.00 0.00 H new ATOM 0 HA THR A 11 17.634 -7.548 0.310 1.00 0.00 H new ATOM 0 HB THR A 11 15.855 -7.934 1.870 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.715 -5.913 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.570 -6.687 3.876 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.988 -7.209 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.440 -5.518 2.854 1.00 0.00 H new ATOM 124 N ALA A 12 14.862 -7.590 -0.545 1.00 0.00 N ATOM 125 CA ALA A 12 13.875 -7.810 -1.588 1.00 0.00 C ATOM 126 C ALA A 12 12.856 -6.669 -1.569 1.00 0.00 C ATOM 127 O ALA A 12 12.304 -6.307 -2.607 1.00 0.00 O ATOM 128 CB ALA A 12 13.221 -9.179 -1.393 1.00 0.00 C ATOM 0 H ALA A 12 14.633 -8.013 0.355 1.00 0.00 H new ATOM 0 HA ALA A 12 14.349 -7.813 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.481 -9.343 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.983 -9.957 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.733 -9.214 -0.419 1.00 0.00 H new ATOM 134 N LEU A 13 12.637 -6.134 -0.377 1.00 0.00 N ATOM 135 CA LEU A 13 11.694 -5.041 -0.208 1.00 0.00 C ATOM 136 C LEU A 13 12.397 -3.716 -0.508 1.00 0.00 C ATOM 137 O LEU A 13 12.094 -3.059 -1.503 1.00 0.00 O ATOM 138 CB LEU A 13 11.052 -5.096 1.180 1.00 0.00 C ATOM 139 CG LEU A 13 9.538 -4.885 1.227 1.00 0.00 C ATOM 140 CD1 LEU A 13 9.103 -3.807 0.231 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.793 -6.203 1.006 1.00 0.00 C ATOM 0 H LEU A 13 13.097 -6.437 0.482 1.00 0.00 H new ATOM 0 HA LEU A 13 10.872 -5.134 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.278 -6.065 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.524 -4.340 1.807 1.00 0.00 H new ATOM 0 HG LEU A 13 9.274 -4.529 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.022 -3.677 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.595 -2.866 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.382 -4.110 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.718 -6.024 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.058 -6.612 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.071 -6.913 1.785 1.00 0.00 H new ATOM 153 N GLU A 14 13.324 -3.362 0.371 1.00 0.00 N ATOM 154 CA GLU A 14 14.072 -2.127 0.212 1.00 0.00 C ATOM 155 C GLU A 14 14.479 -1.936 -1.251 1.00 0.00 C ATOM 156 O GLU A 14 14.497 -0.813 -1.752 1.00 0.00 O ATOM 157 CB GLU A 14 15.298 -2.107 1.128 1.00 0.00 C ATOM 158 CG GLU A 14 14.895 -1.818 2.576 1.00 0.00 C ATOM 159 CD GLU A 14 14.123 -0.501 2.678 1.00 0.00 C ATOM 160 OE1 GLU A 14 14.471 0.422 1.911 1.00 0.00 O ATOM 161 OE2 GLU A 14 13.201 -0.448 3.521 1.00 0.00 O ATOM 0 H GLU A 14 13.574 -3.909 1.195 1.00 0.00 H new ATOM 0 HA GLU A 14 13.428 -1.296 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.812 -3.066 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.001 -1.349 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.281 -2.634 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.786 -1.771 3.203 1.00 0.00 H new ATOM 168 N SER A 15 14.794 -3.050 -1.894 1.00 0.00 N ATOM 169 CA SER A 15 15.198 -3.020 -3.289 1.00 0.00 C ATOM 170 C SER A 15 14.135 -2.306 -4.127 1.00 0.00 C ATOM 171 O SER A 15 14.414 -1.282 -4.748 1.00 0.00 O ATOM 172 CB SER A 15 15.436 -4.433 -3.825 1.00 0.00 C ATOM 173 OG SER A 15 16.824 -4.735 -3.938 1.00 0.00 O ATOM 0 H SER A 15 14.778 -3.980 -1.475 1.00 0.00 H new ATOM 0 HA SER A 15 16.137 -2.471 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.960 -5.157 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.962 -4.535 -4.801 1.00 0.00 H new ATOM 0 HG SER A 15 17.068 -5.409 -3.270 1.00 0.00 H new ATOM 179 N LEU A 16 12.939 -2.876 -4.117 1.00 0.00 N ATOM 180 CA LEU A 16 11.833 -2.307 -4.868 1.00 0.00 C ATOM 181 C LEU A 16 11.644 -0.844 -4.460 1.00 0.00 C ATOM 182 O LEU A 16 11.506 0.029 -5.315 1.00 0.00 O ATOM 183 CB LEU A 16 10.575 -3.160 -4.698 1.00 0.00 C ATOM 184 CG LEU A 16 10.663 -4.597 -5.219 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.303 -5.292 -5.144 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.248 -4.633 -6.632 1.00 0.00 C ATOM 0 H LEU A 16 12.712 -3.726 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 16 12.054 -2.315 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.323 -3.194 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.750 -2.660 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 16 11.344 -5.153 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.394 -6.311 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.963 -5.316 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.581 -4.745 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.300 -5.665 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.612 -4.056 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.250 -4.203 -6.622 1.00 0.00 H new ATOM 198 N ILE A 17 11.643 -0.623 -3.154 1.00 0.00 N ATOM 199 CA ILE A 17 11.473 0.718 -2.622 1.00 0.00 C ATOM 200 C ILE A 17 12.490 1.655 -3.277 1.00 0.00 C ATOM 201 O ILE A 17 12.251 2.856 -3.391 1.00 0.00 O ATOM 202 CB ILE A 17 11.547 0.702 -1.094 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.351 -0.041 -0.495 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.678 2.121 -0.536 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.586 -0.356 0.984 1.00 0.00 C ATOM 0 H ILE A 17 11.757 -1.350 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 17 10.482 1.101 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 17 12.444 0.157 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.451 0.564 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.181 -0.966 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.729 2.081 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.586 2.582 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.813 2.712 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.721 -0.884 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.473 -0.982 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.732 0.573 1.535 1.00 0.00 H new ATOM 217 N GLU A 18 13.605 1.069 -3.690 1.00 0.00 N ATOM 218 CA GLU A 18 14.660 1.837 -4.331 1.00 0.00 C ATOM 219 C GLU A 18 14.328 2.065 -5.807 1.00 0.00 C ATOM 220 O GLU A 18 14.679 3.099 -6.373 1.00 0.00 O ATOM 221 CB GLU A 18 16.014 1.144 -4.174 1.00 0.00 C ATOM 222 CG GLU A 18 16.959 1.977 -3.305 1.00 0.00 C ATOM 223 CD GLU A 18 18.112 2.543 -4.137 1.00 0.00 C ATOM 224 OE1 GLU A 18 18.975 1.732 -4.536 1.00 0.00 O ATOM 225 OE2 GLU A 18 18.104 3.774 -4.354 1.00 0.00 O ATOM 0 H GLU A 18 13.801 0.073 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 18 14.727 2.808 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.873 0.161 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.461 0.985 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.406 2.793 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.356 1.360 -2.499 1.00 0.00 H new ATOM 232 N MET A 19 13.656 1.082 -6.389 1.00 0.00 N ATOM 233 CA MET A 19 13.274 1.162 -7.788 1.00 0.00 C ATOM 234 C MET A 19 12.348 2.355 -8.036 1.00 0.00 C ATOM 235 O MET A 19 12.262 2.857 -9.155 1.00 0.00 O ATOM 236 CB MET A 19 12.564 -0.129 -8.199 1.00 0.00 C ATOM 237 CG MET A 19 13.561 -1.279 -8.350 1.00 0.00 C ATOM 238 SD MET A 19 13.392 -2.026 -9.963 1.00 0.00 S ATOM 239 CE MET A 19 13.573 -3.747 -9.527 1.00 0.00 C ATOM 0 H MET A 19 13.366 0.226 -5.916 1.00 0.00 H new ATOM 0 HA MET A 19 14.177 1.296 -8.384 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.814 -0.389 -7.452 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.037 0.026 -9.140 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.578 -0.910 -8.216 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.388 -2.025 -7.575 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.916 -4.308 -10.396 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.301 -3.844 -8.722 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.612 -4.142 -9.196 1.00 0.00 H new ATOM 249 N GLY A 20 11.678 2.774 -6.972 1.00 0.00 N ATOM 250 CA GLY A 20 10.761 3.898 -7.060 1.00 0.00 C ATOM 251 C GLY A 20 9.320 3.451 -6.809 1.00 0.00 C ATOM 252 O GLY A 20 8.377 4.164 -7.150 1.00 0.00 O ATOM 0 H GLY A 20 11.752 2.355 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.042 4.659 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.837 4.357 -8.046 1.00 0.00 H new ATOM 256 N PHE A 21 9.194 2.273 -6.216 1.00 0.00 N ATOM 257 CA PHE A 21 7.883 1.723 -5.916 1.00 0.00 C ATOM 258 C PHE A 21 7.477 2.029 -4.473 1.00 0.00 C ATOM 259 O PHE A 21 8.333 2.221 -3.611 1.00 0.00 O ATOM 260 CB PHE A 21 7.983 0.207 -6.094 1.00 0.00 C ATOM 261 CG PHE A 21 7.745 -0.269 -7.529 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.513 -0.143 -8.091 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.765 -0.817 -8.241 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.292 -0.584 -9.422 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.544 -1.258 -9.573 1.00 0.00 C ATOM 266 CZ PHE A 21 7.312 -1.133 -10.135 1.00 0.00 C ATOM 0 H PHE A 21 9.978 1.684 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 21 7.135 2.162 -6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.971 -0.122 -5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.258 -0.274 -5.438 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.703 0.292 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.743 -0.917 -7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.314 -0.484 -9.869 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.354 -1.693 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.143 -1.470 -11.147 1.00 0.00 H new ATOM 276 N PRO A 22 6.136 2.068 -4.249 1.00 0.00 N ATOM 277 CA PRO A 22 5.606 2.348 -2.926 1.00 0.00 C ATOM 278 C PRO A 22 5.759 1.135 -2.006 1.00 0.00 C ATOM 279 O PRO A 22 5.535 0.001 -2.425 1.00 0.00 O ATOM 280 CB PRO A 22 4.155 2.737 -3.158 1.00 0.00 C ATOM 281 CG PRO A 22 3.798 2.215 -4.540 1.00 0.00 C ATOM 282 CD PRO A 22 5.093 1.846 -5.247 1.00 0.00 C ATOM 0 HA PRO A 22 6.144 3.149 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.508 2.301 -2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.027 3.818 -3.104 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.144 1.346 -4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.256 2.973 -5.106 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.080 0.809 -5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.252 2.464 -6.130 1.00 0.00 H new ATOM 290 N ARG A 23 6.141 1.416 -0.768 1.00 0.00 N ATOM 291 CA ARG A 23 6.327 0.362 0.215 1.00 0.00 C ATOM 292 C ARG A 23 5.118 -0.575 0.224 1.00 0.00 C ATOM 293 O ARG A 23 5.258 -1.777 0.003 1.00 0.00 O ATOM 294 CB ARG A 23 6.522 0.945 1.616 1.00 0.00 C ATOM 295 CG ARG A 23 6.843 -0.157 2.628 1.00 0.00 C ATOM 296 CD ARG A 23 7.493 0.425 3.885 1.00 0.00 C ATOM 297 NE ARG A 23 8.280 -0.620 4.578 1.00 0.00 N ATOM 298 CZ ARG A 23 9.048 -0.393 5.652 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.138 0.843 6.162 1.00 0.00 N ATOM 300 NH2 ARG A 23 9.727 -1.401 6.215 1.00 0.00 N ATOM 0 H ARG A 23 6.327 2.358 -0.424 1.00 0.00 H new ATOM 0 HA ARG A 23 7.221 -0.196 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.330 1.676 1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.620 1.474 1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.929 -0.685 2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.511 -0.889 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.139 1.261 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.726 0.817 4.553 1.00 0.00 H new ATOM 0 HE ARG A 23 8.235 -1.572 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.622 1.611 5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.723 1.016 6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.659 -2.341 5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.312 -1.228 7.033 1.00 0.00 H new ATOM 314 N GLY A 24 3.957 0.010 0.481 1.00 0.00 N ATOM 315 CA GLY A 24 2.725 -0.758 0.522 1.00 0.00 C ATOM 316 C GLY A 24 2.718 -1.842 -0.559 1.00 0.00 C ATOM 317 O GLY A 24 2.590 -3.026 -0.255 1.00 0.00 O ATOM 0 H GLY A 24 3.844 1.007 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.611 -1.218 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.873 -0.093 0.381 1.00 0.00 H new ATOM 321 N ARG A 25 2.857 -1.396 -1.799 1.00 0.00 N ATOM 322 CA ARG A 25 2.869 -2.313 -2.926 1.00 0.00 C ATOM 323 C ARG A 25 3.960 -3.369 -2.741 1.00 0.00 C ATOM 324 O ARG A 25 3.662 -4.546 -2.545 1.00 0.00 O ATOM 325 CB ARG A 25 3.110 -1.567 -4.240 1.00 0.00 C ATOM 326 CG ARG A 25 1.816 -1.449 -5.049 1.00 0.00 C ATOM 327 CD ARG A 25 2.034 -0.616 -6.314 1.00 0.00 C ATOM 328 NE ARG A 25 1.005 0.444 -6.406 1.00 0.00 N ATOM 329 CZ ARG A 25 0.708 1.107 -7.531 1.00 0.00 C ATOM 330 NH1 ARG A 25 1.359 0.824 -8.667 1.00 0.00 N ATOM 331 NH2 ARG A 25 -0.242 2.053 -7.521 1.00 0.00 N ATOM 0 H ARG A 25 2.962 -0.412 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 25 1.893 -2.797 -2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.504 -0.573 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.864 -2.092 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.461 -2.443 -5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.040 -0.990 -4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.028 -0.169 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.987 -1.257 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 25 0.490 0.685 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.081 0.103 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.133 1.329 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.739 2.268 -6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.468 2.558 -8.378 1.00 0.00 H new ATOM 345 N ALA A 26 5.201 -2.910 -2.809 1.00 0.00 N ATOM 346 CA ALA A 26 6.338 -3.801 -2.650 1.00 0.00 C ATOM 347 C ALA A 26 6.039 -4.810 -1.540 1.00 0.00 C ATOM 348 O ALA A 26 6.000 -6.015 -1.785 1.00 0.00 O ATOM 349 CB ALA A 26 7.596 -2.978 -2.367 1.00 0.00 C ATOM 0 H ALA A 26 5.444 -1.933 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 26 6.516 -4.363 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.449 -3.646 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.781 -2.298 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.456 -2.402 -1.452 1.00 0.00 H new ATOM 355 N GLU A 27 5.837 -4.281 -0.342 1.00 0.00 N ATOM 356 CA GLU A 27 5.542 -5.120 0.807 1.00 0.00 C ATOM 357 C GLU A 27 4.384 -6.067 0.490 1.00 0.00 C ATOM 358 O GLU A 27 4.520 -7.283 0.612 1.00 0.00 O ATOM 359 CB GLU A 27 5.234 -4.271 2.042 1.00 0.00 C ATOM 360 CG GLU A 27 6.515 -3.680 2.635 1.00 0.00 C ATOM 361 CD GLU A 27 6.721 -4.153 4.075 1.00 0.00 C ATOM 362 OE1 GLU A 27 5.995 -3.636 4.952 1.00 0.00 O ATOM 363 OE2 GLU A 27 7.600 -5.021 4.267 1.00 0.00 O ATOM 0 H GLU A 27 5.872 -3.281 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 27 6.425 -5.719 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.549 -3.467 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.730 -4.882 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.371 -3.973 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.463 -2.592 2.610 1.00 0.00 H new ATOM 370 N LYS A 28 3.269 -5.474 0.089 1.00 0.00 N ATOM 371 CA LYS A 28 2.087 -6.250 -0.247 1.00 0.00 C ATOM 372 C LYS A 28 2.468 -7.345 -1.245 1.00 0.00 C ATOM 373 O LYS A 28 2.399 -8.531 -0.926 1.00 0.00 O ATOM 374 CB LYS A 28 0.966 -5.332 -0.739 1.00 0.00 C ATOM 375 CG LYS A 28 -0.267 -6.142 -1.145 1.00 0.00 C ATOM 376 CD LYS A 28 -1.091 -5.397 -2.197 1.00 0.00 C ATOM 377 CE LYS A 28 -2.517 -5.946 -2.267 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.394 -5.018 -3.016 1.00 0.00 N ATOM 0 H LYS A 28 3.159 -4.465 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 28 1.694 -6.749 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.699 -4.625 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.317 -4.747 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.043 -7.110 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.883 -6.338 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.118 -4.334 -1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.613 -5.491 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.514 -6.923 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.907 -6.091 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.380 -5.153 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.105 -4.037 -2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.314 -5.211 -4.035 1.00 0.00 H new ATOM 392 N ALA A 29 2.862 -6.909 -2.432 1.00 0.00 N ATOM 393 CA ALA A 29 3.253 -7.838 -3.479 1.00 0.00 C ATOM 394 C ALA A 29 4.163 -8.915 -2.884 1.00 0.00 C ATOM 395 O ALA A 29 3.777 -10.079 -2.797 1.00 0.00 O ATOM 396 CB ALA A 29 3.927 -7.069 -4.617 1.00 0.00 C ATOM 0 H ALA A 29 2.919 -5.924 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 29 2.379 -8.338 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.221 -7.765 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.230 -6.336 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.811 -6.557 -4.237 1.00 0.00 H new ATOM 402 N LEU A 30 5.354 -8.488 -2.490 1.00 0.00 N ATOM 403 CA LEU A 30 6.321 -9.401 -1.906 1.00 0.00 C ATOM 404 C LEU A 30 5.612 -10.317 -0.907 1.00 0.00 C ATOM 405 O LEU A 30 5.718 -11.540 -0.997 1.00 0.00 O ATOM 406 CB LEU A 30 7.494 -8.626 -1.304 1.00 0.00 C ATOM 407 CG LEU A 30 8.647 -8.306 -2.259 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.055 -6.835 -2.151 1.00 0.00 C ATOM 409 CD2 LEU A 30 9.830 -9.247 -2.025 1.00 0.00 C ATOM 0 H LEU A 30 5.671 -7.521 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 30 6.753 -10.041 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.114 -7.689 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.891 -9.199 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 30 8.301 -8.471 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.876 -6.634 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.205 -6.202 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.376 -6.620 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.635 -8.998 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.185 -9.138 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.514 -10.277 -2.192 1.00 0.00 H new ATOM 421 N ALA A 31 4.905 -9.692 0.022 1.00 0.00 N ATOM 422 CA ALA A 31 4.178 -10.436 1.037 1.00 0.00 C ATOM 423 C ALA A 31 3.289 -11.480 0.360 1.00 0.00 C ATOM 424 O ALA A 31 3.343 -12.661 0.700 1.00 0.00 O ATOM 425 CB ALA A 31 3.378 -9.464 1.907 1.00 0.00 C ATOM 0 H ALA A 31 4.820 -8.678 0.094 1.00 0.00 H new ATOM 0 HA ALA A 31 4.869 -10.967 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.833 -10.022 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.059 -8.762 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.672 -8.915 1.284 1.00 0.00 H new ATOM 431 N LEU A 32 2.492 -11.007 -0.587 1.00 0.00 N ATOM 432 CA LEU A 32 1.593 -11.886 -1.315 1.00 0.00 C ATOM 433 C LEU A 32 2.384 -13.070 -1.874 1.00 0.00 C ATOM 434 O LEU A 32 2.079 -14.223 -1.574 1.00 0.00 O ATOM 435 CB LEU A 32 0.824 -11.102 -2.381 1.00 0.00 C ATOM 436 CG LEU A 32 -0.557 -10.589 -1.971 1.00 0.00 C ATOM 437 CD1 LEU A 32 -1.058 -9.521 -2.946 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.550 -11.744 -1.826 1.00 0.00 C ATOM 0 H LEU A 32 2.450 -10.027 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 32 0.837 -12.296 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.431 -10.249 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.707 -11.739 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.469 -10.115 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.042 -9.174 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.363 -8.682 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.127 -9.946 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.524 -11.352 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.640 -12.268 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.194 -12.436 -1.063 1.00 0.00 H new ATOM 450 N THR A 33 3.387 -12.744 -2.677 1.00 0.00 N ATOM 451 CA THR A 33 4.225 -13.766 -3.281 1.00 0.00 C ATOM 452 C THR A 33 4.890 -14.618 -2.198 1.00 0.00 C ATOM 453 O THR A 33 5.126 -15.809 -2.398 1.00 0.00 O ATOM 454 CB THR A 33 5.225 -13.071 -4.207 1.00 0.00 C ATOM 455 OG1 THR A 33 5.573 -11.878 -3.509 1.00 0.00 O ATOM 456 CG2 THR A 33 4.577 -12.571 -5.499 1.00 0.00 C ATOM 0 H THR A 33 3.638 -11.786 -2.923 1.00 0.00 H new ATOM 0 HA THR A 33 3.634 -14.460 -3.879 1.00 0.00 H new ATOM 0 HB THR A 33 6.034 -13.760 -4.450 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.886 -12.105 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.330 -12.086 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.148 -13.414 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.790 -11.856 -5.258 1.00 0.00 H new ATOM 464 N GLY A 34 5.173 -13.975 -1.074 1.00 0.00 N ATOM 465 CA GLY A 34 5.805 -14.660 0.040 1.00 0.00 C ATOM 466 C GLY A 34 7.284 -14.282 0.147 1.00 0.00 C ATOM 467 O GLY A 34 8.122 -15.124 0.466 1.00 0.00 O ATOM 0 H GLY A 34 4.976 -12.987 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.292 -14.404 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.710 -15.738 -0.090 1.00 0.00 H new ATOM 471 N ASN A 35 7.560 -13.015 -0.127 1.00 0.00 N ATOM 472 CA ASN A 35 8.923 -12.516 -0.065 1.00 0.00 C ATOM 473 C ASN A 35 9.867 -13.545 -0.689 1.00 0.00 C ATOM 474 O ASN A 35 10.698 -14.131 0.004 1.00 0.00 O ATOM 475 CB ASN A 35 9.361 -12.288 1.383 1.00 0.00 C ATOM 476 CG ASN A 35 8.635 -11.088 1.993 1.00 0.00 C ATOM 477 OD1 ASN A 35 8.824 -9.949 1.599 1.00 0.00 O ATOM 478 ND2 ASN A 35 7.796 -11.406 2.975 1.00 0.00 N ATOM 0 H ASN A 35 6.863 -12.319 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 35 8.961 -11.570 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.155 -13.181 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.438 -12.123 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.263 -10.675 3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.685 -12.380 3.256 1.00 0.00 H new ATOM 485 N GLN A 36 9.708 -13.735 -1.991 1.00 0.00 N ATOM 486 CA GLN A 36 10.536 -14.684 -2.715 1.00 0.00 C ATOM 487 C GLN A 36 11.688 -13.958 -3.413 1.00 0.00 C ATOM 488 O GLN A 36 12.791 -14.492 -3.517 1.00 0.00 O ATOM 489 CB GLN A 36 9.704 -15.484 -3.719 1.00 0.00 C ATOM 490 CG GLN A 36 8.945 -16.616 -3.023 1.00 0.00 C ATOM 491 CD GLN A 36 9.632 -17.962 -3.259 1.00 0.00 C ATOM 492 OE1 GLN A 36 10.296 -18.510 -2.394 1.00 0.00 O ATOM 493 NE2 GLN A 36 9.437 -18.464 -4.476 1.00 0.00 N ATOM 0 H GLN A 36 9.018 -13.248 -2.563 1.00 0.00 H new ATOM 0 HA GLN A 36 10.957 -15.389 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.998 -14.822 -4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.355 -15.898 -4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.887 -16.416 -1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.922 -16.656 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.870 -17.954 -5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.854 -19.359 -4.731 1.00 0.00 H new ATOM 502 N GLY A 37 11.392 -12.752 -3.875 1.00 0.00 N ATOM 503 CA GLY A 37 12.389 -11.947 -4.560 1.00 0.00 C ATOM 504 C GLY A 37 11.742 -10.750 -5.259 1.00 0.00 C ATOM 505 O GLY A 37 10.553 -10.490 -5.080 1.00 0.00 O ATOM 0 H GLY A 37 10.476 -12.313 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.133 -11.596 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.915 -12.559 -5.292 1.00 0.00 H new ATOM 509 N ILE A 38 12.553 -10.053 -6.042 1.00 0.00 N ATOM 510 CA ILE A 38 12.074 -8.890 -6.769 1.00 0.00 C ATOM 511 C ILE A 38 11.204 -9.349 -7.940 1.00 0.00 C ATOM 512 O ILE A 38 10.001 -9.092 -7.963 1.00 0.00 O ATOM 513 CB ILE A 38 13.245 -7.998 -7.185 1.00 0.00 C ATOM 514 CG1 ILE A 38 13.861 -7.299 -5.971 1.00 0.00 C ATOM 515 CG2 ILE A 38 12.820 -7.002 -8.266 1.00 0.00 C ATOM 516 CD1 ILE A 38 14.988 -6.356 -6.395 1.00 0.00 C ATOM 0 H ILE A 38 13.538 -10.272 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 38 11.446 -8.272 -6.128 1.00 0.00 H new ATOM 0 HB ILE A 38 14.019 -8.632 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.092 -6.737 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.248 -8.044 -5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.671 -6.381 -8.543 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.467 -7.545 -9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.019 -6.370 -7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.409 -5.872 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.767 -6.925 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.593 -5.598 -7.071 1.00 0.00 H new ATOM 528 N GLU A 39 11.846 -10.019 -8.886 1.00 0.00 N ATOM 529 CA GLU A 39 11.145 -10.516 -10.058 1.00 0.00 C ATOM 530 C GLU A 39 9.763 -11.043 -9.666 1.00 0.00 C ATOM 531 O GLU A 39 8.746 -10.542 -10.145 1.00 0.00 O ATOM 532 CB GLU A 39 11.963 -11.597 -10.768 1.00 0.00 C ATOM 533 CG GLU A 39 12.967 -10.975 -11.740 1.00 0.00 C ATOM 534 CD GLU A 39 12.426 -10.992 -13.171 1.00 0.00 C ATOM 535 OE1 GLU A 39 11.218 -10.709 -13.325 1.00 0.00 O ATOM 536 OE2 GLU A 39 13.233 -11.286 -14.080 1.00 0.00 O ATOM 0 H GLU A 39 12.844 -10.229 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 39 11.012 -9.689 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.492 -12.201 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.295 -12.267 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.181 -9.949 -11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.908 -11.523 -11.697 1.00 0.00 H new ATOM 543 N ALA A 40 9.770 -12.046 -8.801 1.00 0.00 N ATOM 544 CA ALA A 40 8.529 -12.646 -8.340 1.00 0.00 C ATOM 545 C ALA A 40 7.540 -11.539 -7.969 1.00 0.00 C ATOM 546 O ALA A 40 6.375 -11.586 -8.361 1.00 0.00 O ATOM 547 CB ALA A 40 8.821 -13.584 -7.167 1.00 0.00 C ATOM 0 H ALA A 40 10.615 -12.459 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 40 8.074 -13.243 -9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.891 -14.034 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.506 -14.368 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.275 -13.019 -6.353 1.00 0.00 H new ATOM 553 N ALA A 41 8.040 -10.569 -7.219 1.00 0.00 N ATOM 554 CA ALA A 41 7.215 -9.452 -6.791 1.00 0.00 C ATOM 555 C ALA A 41 6.807 -8.628 -8.013 1.00 0.00 C ATOM 556 O ALA A 41 5.625 -8.547 -8.346 1.00 0.00 O ATOM 557 CB ALA A 41 7.976 -8.622 -5.755 1.00 0.00 C ATOM 0 H ALA A 41 9.007 -10.533 -6.896 1.00 0.00 H new ATOM 0 HA ALA A 41 6.302 -9.809 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.357 -7.784 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.216 -9.246 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.897 -8.244 -6.198 1.00 0.00 H new ATOM 563 N MET A 42 7.807 -8.036 -8.649 1.00 0.00 N ATOM 564 CA MET A 42 7.567 -7.221 -9.828 1.00 0.00 C ATOM 565 C MET A 42 6.464 -7.826 -10.698 1.00 0.00 C ATOM 566 O MET A 42 5.696 -7.100 -11.327 1.00 0.00 O ATOM 567 CB MET A 42 8.857 -7.109 -10.643 1.00 0.00 C ATOM 568 CG MET A 42 9.321 -5.655 -10.739 1.00 0.00 C ATOM 569 SD MET A 42 9.809 -5.278 -12.414 1.00 0.00 S ATOM 570 CE MET A 42 11.234 -4.250 -12.098 1.00 0.00 C ATOM 0 H MET A 42 8.786 -8.104 -8.370 1.00 0.00 H new ATOM 0 HA MET A 42 7.245 -6.232 -9.503 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.637 -7.713 -10.180 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.695 -7.509 -11.644 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.518 -4.987 -10.427 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.158 -5.486 -10.061 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.569 -3.796 -13.031 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.968 -3.467 -11.388 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.037 -4.859 -11.682 1.00 0.00 H new ATOM 580 N ASP A 43 6.420 -9.150 -10.706 1.00 0.00 N ATOM 581 CA ASP A 43 5.423 -9.861 -11.488 1.00 0.00 C ATOM 582 C ASP A 43 4.028 -9.518 -10.962 1.00 0.00 C ATOM 583 O ASP A 43 3.183 -9.027 -11.709 1.00 0.00 O ATOM 584 CB ASP A 43 5.612 -11.375 -11.375 1.00 0.00 C ATOM 585 CG ASP A 43 5.149 -12.178 -12.593 1.00 0.00 C ATOM 586 OD1 ASP A 43 3.933 -12.458 -12.659 1.00 0.00 O ATOM 587 OD2 ASP A 43 6.022 -12.492 -13.431 1.00 0.00 O ATOM 0 H ASP A 43 7.059 -9.749 -10.183 1.00 0.00 H new ATOM 0 HA ASP A 43 5.534 -9.560 -12.530 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.668 -11.582 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.070 -11.729 -10.498 1.00 0.00 H new ATOM 592 N TRP A 44 3.830 -9.791 -9.681 1.00 0.00 N ATOM 593 CA TRP A 44 2.552 -9.518 -9.046 1.00 0.00 C ATOM 594 C TRP A 44 2.257 -8.025 -9.202 1.00 0.00 C ATOM 595 O TRP A 44 1.148 -7.643 -9.573 1.00 0.00 O ATOM 596 CB TRP A 44 2.555 -9.978 -7.587 1.00 0.00 C ATOM 597 CG TRP A 44 1.196 -9.856 -6.894 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.319 -10.832 -6.621 1.00 0.00 C ATOM 599 CD2 TRP A 44 0.592 -8.646 -6.393 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.802 -10.341 -5.984 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.631 -8.969 -5.841 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.062 -7.321 -6.406 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.485 -8.023 -5.261 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.197 -6.387 -5.823 1.00 0.00 C ATOM 605 CH2 TRP A 44 -1.037 -6.697 -5.263 1.00 0.00 C ATOM 0 H TRP A 44 4.534 -10.199 -9.065 1.00 0.00 H new ATOM 0 HA TRP A 44 1.753 -10.083 -9.527 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.881 -11.017 -7.545 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.288 -9.391 -7.033 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.471 -11.872 -6.869 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.608 -10.885 -5.675 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.015 -7.045 -6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.438 -8.301 -4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.510 -5.354 -5.807 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.648 -5.918 -4.831 1.00 0.00 H new ATOM 616 N LEU A 45 3.269 -7.220 -8.911 1.00 0.00 N ATOM 617 CA LEU A 45 3.131 -5.778 -9.014 1.00 0.00 C ATOM 618 C LEU A 45 2.674 -5.413 -10.428 1.00 0.00 C ATOM 619 O LEU A 45 1.638 -4.773 -10.603 1.00 0.00 O ATOM 620 CB LEU A 45 4.428 -5.084 -8.589 1.00 0.00 C ATOM 621 CG LEU A 45 4.764 -5.148 -7.098 1.00 0.00 C ATOM 622 CD1 LEU A 45 6.250 -4.870 -6.859 1.00 0.00 C ATOM 623 CD2 LEU A 45 3.868 -4.204 -6.293 1.00 0.00 C ATOM 0 H LEU A 45 4.188 -7.540 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 45 2.364 -5.419 -8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.253 -5.527 -9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.370 -4.036 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 45 4.564 -6.160 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.463 -4.921 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.848 -5.614 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.499 -3.876 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.128 -4.269 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.013 -3.181 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.825 -4.489 -6.428 1.00 0.00 H new ATOM 635 N MET A 46 3.469 -5.835 -11.400 1.00 0.00 N ATOM 636 CA MET A 46 3.158 -5.561 -12.793 1.00 0.00 C ATOM 637 C MET A 46 1.768 -6.086 -13.158 1.00 0.00 C ATOM 638 O MET A 46 1.107 -5.540 -14.040 1.00 0.00 O ATOM 639 CB MET A 46 4.206 -6.223 -13.689 1.00 0.00 C ATOM 640 CG MET A 46 5.515 -5.430 -13.680 1.00 0.00 C ATOM 641 SD MET A 46 5.308 -3.898 -14.572 1.00 0.00 S ATOM 642 CE MET A 46 5.938 -2.747 -13.363 1.00 0.00 C ATOM 0 H MET A 46 4.328 -6.365 -11.251 1.00 0.00 H new ATOM 0 HA MET A 46 3.168 -4.481 -12.943 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.391 -7.241 -13.347 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.826 -6.293 -14.708 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.818 -5.224 -12.653 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.310 -6.020 -14.135 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.881 -1.734 -13.761 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.342 -2.813 -12.453 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.976 -2.990 -13.136 1.00 0.00 H new ATOM 652 N GLU A 47 1.367 -7.140 -12.462 1.00 0.00 N ATOM 653 CA GLU A 47 0.068 -7.745 -12.703 1.00 0.00 C ATOM 654 C GLU A 47 -1.035 -6.909 -12.052 1.00 0.00 C ATOM 655 O GLU A 47 -2.079 -6.673 -12.658 1.00 0.00 O ATOM 656 CB GLU A 47 0.034 -9.189 -12.196 1.00 0.00 C ATOM 657 CG GLU A 47 -0.380 -10.151 -13.312 1.00 0.00 C ATOM 658 CD GLU A 47 -1.839 -10.582 -13.150 1.00 0.00 C ATOM 659 OE1 GLU A 47 -2.243 -10.795 -11.987 1.00 0.00 O ATOM 660 OE2 GLU A 47 -2.518 -10.689 -14.195 1.00 0.00 O ATOM 0 H GLU A 47 1.919 -7.590 -11.732 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.108 -7.768 -13.779 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.017 -9.468 -11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.665 -9.270 -11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.244 -9.670 -14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.266 -11.029 -13.299 1.00 0.00 H new ATOM 667 N HIS A 48 -0.767 -6.484 -10.826 1.00 0.00 N ATOM 668 CA HIS A 48 -1.724 -5.680 -10.086 1.00 0.00 C ATOM 669 C HIS A 48 -1.457 -4.196 -10.347 1.00 0.00 C ATOM 670 O HIS A 48 -1.998 -3.334 -9.656 1.00 0.00 O ATOM 671 CB HIS A 48 -1.697 -6.035 -8.598 1.00 0.00 C ATOM 672 CG HIS A 48 -2.411 -7.322 -8.261 1.00 0.00 C ATOM 673 ND1 HIS A 48 -3.611 -7.355 -7.572 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.083 -8.619 -8.525 1.00 0.00 C ATOM 675 CE1 HIS A 48 -3.979 -8.620 -7.433 1.00 0.00 C ATOM 676 NE2 HIS A 48 -3.030 -9.402 -8.023 1.00 0.00 N ATOM 0 H HIS A 48 0.100 -6.682 -10.326 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.734 -5.899 -10.433 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.660 -6.111 -8.272 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.150 -5.221 -8.032 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.202 -8.953 -9.053 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.873 -8.970 -6.939 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.045 -10.421 -8.071 1.00 0.00 H new ATOM 684 N GLU A 49 -0.624 -3.944 -11.346 1.00 0.00 N ATOM 685 CA GLU A 49 -0.279 -2.579 -11.706 1.00 0.00 C ATOM 686 C GLU A 49 -1.513 -1.839 -12.224 1.00 0.00 C ATOM 687 O GLU A 49 -1.502 -0.615 -12.345 1.00 0.00 O ATOM 688 CB GLU A 49 0.849 -2.554 -12.739 1.00 0.00 C ATOM 689 CG GLU A 49 0.300 -2.731 -14.156 1.00 0.00 C ATOM 690 CD GLU A 49 1.424 -2.668 -15.192 1.00 0.00 C ATOM 691 OE1 GLU A 49 1.821 -1.533 -15.531 1.00 0.00 O ATOM 692 OE2 GLU A 49 1.861 -3.758 -15.621 1.00 0.00 O ATOM 0 H GLU A 49 -0.178 -4.662 -11.917 1.00 0.00 H new ATOM 0 HA GLU A 49 0.079 -2.067 -10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.389 -1.610 -12.670 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.564 -3.347 -12.521 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.217 -3.688 -14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.435 -1.954 -14.364 1.00 0.00 H new ATOM 699 N ASP A 50 -2.549 -2.612 -12.516 1.00 0.00 N ATOM 700 CA ASP A 50 -3.789 -2.045 -13.018 1.00 0.00 C ATOM 701 C ASP A 50 -4.806 -1.964 -11.879 1.00 0.00 C ATOM 702 O ASP A 50 -6.002 -1.805 -12.119 1.00 0.00 O ATOM 703 CB ASP A 50 -4.386 -2.918 -14.124 1.00 0.00 C ATOM 704 CG ASP A 50 -3.507 -3.080 -15.366 1.00 0.00 C ATOM 705 OD1 ASP A 50 -2.313 -2.723 -15.267 1.00 0.00 O ATOM 706 OD2 ASP A 50 -4.049 -3.556 -16.386 1.00 0.00 O ATOM 0 H ASP A 50 -2.555 -3.627 -12.414 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.569 -1.055 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.594 -3.906 -13.714 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.342 -2.491 -14.427 1.00 0.00 H new ATOM 711 N ASP A 51 -4.294 -2.077 -10.662 1.00 0.00 N ATOM 712 CA ASP A 51 -5.143 -2.018 -9.484 1.00 0.00 C ATOM 713 C ASP A 51 -5.789 -0.634 -9.395 1.00 0.00 C ATOM 714 O ASP A 51 -5.357 0.301 -10.066 1.00 0.00 O ATOM 715 CB ASP A 51 -4.330 -2.243 -8.208 1.00 0.00 C ATOM 716 CG ASP A 51 -4.257 -3.697 -7.736 1.00 0.00 C ATOM 717 OD1 ASP A 51 -4.348 -4.583 -8.612 1.00 0.00 O ATOM 718 OD2 ASP A 51 -4.110 -3.888 -6.509 1.00 0.00 O ATOM 0 H ASP A 51 -3.302 -2.209 -10.466 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.898 -2.799 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.316 -1.879 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.760 -1.639 -7.410 1.00 0.00 H new ATOM 723 N PRO A 52 -6.842 -0.546 -8.539 1.00 0.00 N ATOM 724 CA PRO A 52 -7.553 0.708 -8.353 1.00 0.00 C ATOM 725 C PRO A 52 -6.735 1.681 -7.502 1.00 0.00 C ATOM 726 O PRO A 52 -6.585 2.849 -7.859 1.00 0.00 O ATOM 727 CB PRO A 52 -8.873 0.320 -7.708 1.00 0.00 C ATOM 728 CG PRO A 52 -8.663 -1.071 -7.133 1.00 0.00 C ATOM 729 CD PRO A 52 -7.382 -1.633 -7.727 1.00 0.00 C ATOM 0 HA PRO A 52 -7.724 1.238 -9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.149 1.028 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.681 0.322 -8.440 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.593 -1.028 -6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.509 -1.715 -7.373 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.681 -1.931 -6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.581 -2.518 -8.332 1.00 0.00 H new ATOM 737 N ASP A 53 -6.227 1.165 -6.393 1.00 0.00 N ATOM 738 CA ASP A 53 -5.427 1.973 -5.489 1.00 0.00 C ATOM 739 C ASP A 53 -4.098 1.266 -5.218 1.00 0.00 C ATOM 740 O ASP A 53 -3.033 1.801 -5.521 1.00 0.00 O ATOM 741 CB ASP A 53 -6.140 2.169 -4.149 1.00 0.00 C ATOM 742 CG ASP A 53 -7.576 2.688 -4.250 1.00 0.00 C ATOM 743 OD1 ASP A 53 -8.424 1.917 -4.749 1.00 0.00 O ATOM 744 OD2 ASP A 53 -7.793 3.843 -3.826 1.00 0.00 O ATOM 0 H ASP A 53 -6.354 0.196 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.266 2.944 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.150 1.217 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.560 2.866 -3.544 1.00 0.00 H new ATOM 749 N VAL A 54 -4.204 0.073 -4.650 1.00 0.00 N ATOM 750 CA VAL A 54 -3.023 -0.713 -4.335 1.00 0.00 C ATOM 751 C VAL A 54 -2.005 0.171 -3.612 1.00 0.00 C ATOM 752 O VAL A 54 -0.813 -0.132 -3.600 1.00 0.00 O ATOM 753 CB VAL A 54 -2.465 -1.351 -5.609 1.00 0.00 C ATOM 754 CG1 VAL A 54 -1.971 -0.282 -6.586 1.00 0.00 C ATOM 755 CG2 VAL A 54 -1.352 -2.348 -5.279 1.00 0.00 C ATOM 0 H VAL A 54 -5.089 -0.368 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.277 -1.532 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.274 -1.899 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.579 -0.762 -7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.799 0.374 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.183 0.305 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.972 -2.788 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.543 -1.832 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.747 -3.136 -4.638 1.00 0.00 H new ATOM 765 N ASP A 55 -2.512 1.246 -3.028 1.00 0.00 N ATOM 766 CA ASP A 55 -1.661 2.176 -2.305 1.00 0.00 C ATOM 767 C ASP A 55 -2.395 2.666 -1.055 1.00 0.00 C ATOM 768 O ASP A 55 -1.830 2.676 0.037 1.00 0.00 O ATOM 769 CB ASP A 55 -1.325 3.397 -3.164 1.00 0.00 C ATOM 770 CG ASP A 55 0.112 3.905 -3.030 1.00 0.00 C ATOM 771 OD1 ASP A 55 0.881 3.248 -2.295 1.00 0.00 O ATOM 772 OD2 ASP A 55 0.410 4.939 -3.666 1.00 0.00 O ATOM 0 H ASP A 55 -3.501 1.494 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.740 1.655 -2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.511 3.150 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.007 4.206 -2.901 1.00 0.00 H new ATOM 777 N GLU A 56 -3.644 3.060 -1.257 1.00 0.00 N ATOM 778 CA GLU A 56 -4.461 3.550 -0.160 1.00 0.00 C ATOM 779 C GLU A 56 -4.288 2.657 1.071 1.00 0.00 C ATOM 780 O GLU A 56 -3.957 1.479 0.946 1.00 0.00 O ATOM 781 CB GLU A 56 -5.932 3.639 -0.569 1.00 0.00 C ATOM 782 CG GLU A 56 -6.551 2.246 -0.698 1.00 0.00 C ATOM 783 CD GLU A 56 -7.868 2.156 0.076 1.00 0.00 C ATOM 784 OE1 GLU A 56 -8.774 2.953 -0.251 1.00 0.00 O ATOM 785 OE2 GLU A 56 -7.938 1.294 0.978 1.00 0.00 O ATOM 0 H GLU A 56 -4.110 3.050 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.127 4.556 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.484 4.219 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.018 4.168 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.727 2.019 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.853 1.498 -0.323 1.00 0.00 H new ATOM 792 N PRO A 57 -4.525 3.268 2.262 1.00 0.00 N ATOM 793 CA PRO A 57 -4.399 2.541 3.514 1.00 0.00 C ATOM 794 C PRO A 57 -5.584 1.598 3.723 1.00 0.00 C ATOM 795 O PRO A 57 -6.382 1.385 2.810 1.00 0.00 O ATOM 796 CB PRO A 57 -4.300 3.616 4.585 1.00 0.00 C ATOM 797 CG PRO A 57 -4.839 4.888 3.950 1.00 0.00 C ATOM 798 CD PRO A 57 -4.919 4.661 2.449 1.00 0.00 C ATOM 0 HA PRO A 57 -3.523 1.892 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.880 3.344 5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.268 3.749 4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.823 5.129 4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.187 5.733 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.927 4.841 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.254 5.336 1.911 1.00 0.00 H new ATOM 806 N LEU A 58 -5.664 1.056 4.929 1.00 0.00 N ATOM 807 CA LEU A 58 -6.739 0.140 5.269 1.00 0.00 C ATOM 808 C LEU A 58 -8.066 0.900 5.282 1.00 0.00 C ATOM 809 O LEU A 58 -8.426 1.545 4.298 1.00 0.00 O ATOM 810 CB LEU A 58 -6.432 -0.584 6.582 1.00 0.00 C ATOM 811 CG LEU A 58 -6.147 0.311 7.790 1.00 0.00 C ATOM 812 CD1 LEU A 58 -6.877 -0.198 9.034 1.00 0.00 C ATOM 813 CD2 LEU A 58 -4.641 0.451 8.026 1.00 0.00 C ATOM 0 H LEU A 58 -5.001 1.234 5.684 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.826 -0.641 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.276 -1.229 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.570 -1.232 6.424 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.533 1.307 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.657 0.456 9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.951 -0.203 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.543 -1.210 9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.466 1.092 8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.209 -0.532 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.174 0.893 7.146 1.00 0.00 H new ATOM 825 N SER A 59 -8.758 0.800 6.408 1.00 0.00 N ATOM 826 CA SER A 59 -10.038 1.470 6.561 1.00 0.00 C ATOM 827 C SER A 59 -9.825 2.890 7.090 1.00 0.00 C ATOM 828 O SER A 59 -10.084 3.165 8.261 1.00 0.00 O ATOM 829 CB SER A 59 -10.961 0.688 7.498 1.00 0.00 C ATOM 830 OG SER A 59 -10.300 0.304 8.701 1.00 0.00 O ATOM 0 H SER A 59 -8.456 0.265 7.222 1.00 0.00 H new ATOM 0 HA SER A 59 -10.516 1.521 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.831 1.297 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.328 -0.202 6.986 1.00 0.00 H new ATOM 0 HG SER A 59 -9.908 1.095 9.126 1.00 0.00 H new ATOM 836 N GLY A 60 -9.355 3.753 6.202 1.00 0.00 N ATOM 837 CA GLY A 60 -9.104 5.138 6.565 1.00 0.00 C ATOM 838 C GLY A 60 -9.852 6.093 5.633 1.00 0.00 C ATOM 839 O GLY A 60 -10.466 5.661 4.658 1.00 0.00 O ATOM 0 H GLY A 60 -9.141 3.521 5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.417 5.310 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.034 5.342 6.518 1.00 0.00 H new ATOM 843 N PRO A 61 -9.773 7.407 5.973 1.00 0.00 N ATOM 844 CA PRO A 61 -10.434 8.428 5.178 1.00 0.00 C ATOM 845 C PRO A 61 -9.676 8.684 3.874 1.00 0.00 C ATOM 846 O PRO A 61 -8.657 8.047 3.609 1.00 0.00 O ATOM 847 CB PRO A 61 -10.497 9.650 6.079 1.00 0.00 C ATOM 848 CG PRO A 61 -9.462 9.419 7.167 1.00 0.00 C ATOM 849 CD PRO A 61 -9.054 7.955 7.120 1.00 0.00 C ATOM 0 HA PRO A 61 -11.434 8.132 4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.279 10.560 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.493 9.769 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.595 10.062 7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.874 9.669 8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.976 7.848 7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.325 7.439 8.041 1.00 0.00 H new ATOM 857 N SER A 62 -10.201 9.618 3.095 1.00 0.00 N ATOM 858 CA SER A 62 -9.586 9.966 1.825 1.00 0.00 C ATOM 859 C SER A 62 -9.709 8.797 0.846 1.00 0.00 C ATOM 860 O SER A 62 -9.947 7.662 1.255 1.00 0.00 O ATOM 861 CB SER A 62 -8.117 10.350 2.012 1.00 0.00 C ATOM 862 OG SER A 62 -7.726 11.408 1.140 1.00 0.00 O ATOM 0 H SER A 62 -11.045 10.145 3.319 1.00 0.00 H new ATOM 0 HA SER A 62 -10.110 10.830 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.950 10.652 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.488 9.478 1.829 1.00 0.00 H new ATOM 0 HG SER A 62 -6.782 11.625 1.291 1.00 0.00 H new ATOM 868 N SER A 63 -9.542 9.115 -0.430 1.00 0.00 N ATOM 869 CA SER A 63 -9.631 8.105 -1.470 1.00 0.00 C ATOM 870 C SER A 63 -8.597 8.387 -2.563 1.00 0.00 C ATOM 871 O SER A 63 -8.415 9.533 -2.969 1.00 0.00 O ATOM 872 CB SER A 63 -11.037 8.056 -2.071 1.00 0.00 C ATOM 873 OG SER A 63 -11.394 9.286 -2.696 1.00 0.00 O ATOM 0 H SER A 63 -9.346 10.058 -0.766 1.00 0.00 H new ATOM 0 HA SER A 63 -9.422 7.134 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.091 7.249 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.758 7.825 -1.287 1.00 0.00 H new ATOM 0 HG SER A 63 -12.297 9.213 -3.069 1.00 0.00 H new ATOM 879 N GLY A 64 -7.947 7.321 -3.006 1.00 0.00 N ATOM 880 CA GLY A 64 -6.936 7.439 -4.043 1.00 0.00 C ATOM 881 C GLY A 64 -7.299 6.587 -5.262 1.00 0.00 C ATOM 882 O GLY A 64 -8.338 6.798 -5.884 1.00 0.00 O ATOM 0 H GLY A 64 -8.101 6.372 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.836 8.483 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.969 7.125 -3.650 1.00 0.00 H new TER 886 GLY A 64