USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=12 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+ 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 32:sc= 0.0759 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0925 USER MOD Single : A 15 SER OG : rot 104:sc= 0.959 USER MOD Single : A 19 MET CE :methyl -109:sc= -0.673 (180deg=-4.16!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -86:sc= 0.211 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -167:sc= 0 (180deg=-0.146) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.3) USER MOD Single : A 59 SER OG : rot 33:sc= 0.0349 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 15.328 9.118 -15.958 1.00 0.00 N ATOM 2 CA GLY A 1 15.801 10.405 -15.478 1.00 0.00 C ATOM 3 C GLY A 1 15.604 10.532 -13.966 1.00 0.00 C ATOM 4 O GLY A 1 14.660 11.176 -13.511 1.00 0.00 O ATOM 0 H1 GLY A 1 15.473 9.056 -16.986 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.857 8.356 -15.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.315 9.019 -15.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.857 10.523 -15.722 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.265 11.206 -15.987 1.00 0.00 H new ATOM 8 N SER A 2 16.511 9.908 -13.229 1.00 0.00 N ATOM 9 CA SER A 2 16.449 9.943 -11.778 1.00 0.00 C ATOM 10 C SER A 2 17.777 10.446 -11.209 1.00 0.00 C ATOM 11 O SER A 2 18.831 10.237 -11.807 1.00 0.00 O ATOM 12 CB SER A 2 16.116 8.563 -11.207 1.00 0.00 C ATOM 13 OG SER A 2 15.642 8.640 -9.865 1.00 0.00 O ATOM 0 H SER A 2 17.293 9.375 -13.610 1.00 0.00 H new ATOM 0 HA SER A 2 15.653 10.629 -11.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.361 8.085 -11.831 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.004 7.932 -11.242 1.00 0.00 H new ATOM 0 HG SER A 2 15.439 7.739 -9.538 1.00 0.00 H new ATOM 19 N SER A 3 17.683 11.099 -10.060 1.00 0.00 N ATOM 20 CA SER A 3 18.865 11.633 -9.404 1.00 0.00 C ATOM 21 C SER A 3 18.987 11.054 -7.993 1.00 0.00 C ATOM 22 O SER A 3 17.993 10.633 -7.403 1.00 0.00 O ATOM 23 CB SER A 3 18.820 13.162 -9.349 1.00 0.00 C ATOM 24 OG SER A 3 20.037 13.714 -8.853 1.00 0.00 O ATOM 0 H SER A 3 16.807 11.270 -9.566 1.00 0.00 H new ATOM 0 HA SER A 3 19.740 11.343 -9.985 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.623 13.555 -10.346 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.993 13.478 -8.713 1.00 0.00 H new ATOM 0 HG SER A 3 19.969 14.691 -8.835 1.00 0.00 H new ATOM 30 N GLY A 4 20.214 11.052 -7.494 1.00 0.00 N ATOM 31 CA GLY A 4 20.479 10.531 -6.163 1.00 0.00 C ATOM 32 C GLY A 4 21.261 9.218 -6.234 1.00 0.00 C ATOM 33 O GLY A 4 20.765 8.224 -6.760 1.00 0.00 O ATOM 0 H GLY A 4 21.036 11.402 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.044 11.264 -5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.538 10.370 -5.638 1.00 0.00 H new ATOM 37 N SER A 5 22.471 9.258 -5.695 1.00 0.00 N ATOM 38 CA SER A 5 23.327 8.084 -5.690 1.00 0.00 C ATOM 39 C SER A 5 23.391 7.489 -4.282 1.00 0.00 C ATOM 40 O SER A 5 24.247 7.867 -3.484 1.00 0.00 O ATOM 41 CB SER A 5 24.733 8.425 -6.188 1.00 0.00 C ATOM 42 OG SER A 5 25.373 7.302 -6.788 1.00 0.00 O ATOM 0 H SER A 5 22.879 10.085 -5.259 1.00 0.00 H new ATOM 0 HA SER A 5 22.900 7.346 -6.370 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.674 9.238 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.336 8.783 -5.354 1.00 0.00 H new ATOM 0 HG SER A 5 26.267 7.560 -7.095 1.00 0.00 H new ATOM 48 N SER A 6 22.475 6.568 -4.020 1.00 0.00 N ATOM 49 CA SER A 6 22.418 5.918 -2.723 1.00 0.00 C ATOM 50 C SER A 6 21.520 4.681 -2.797 1.00 0.00 C ATOM 51 O SER A 6 20.348 4.780 -3.156 1.00 0.00 O ATOM 52 CB SER A 6 21.908 6.879 -1.647 1.00 0.00 C ATOM 53 OG SER A 6 20.715 7.547 -2.049 1.00 0.00 O ATOM 0 H SER A 6 21.766 6.257 -4.685 1.00 0.00 H new ATOM 0 HA SER A 6 23.428 5.611 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.721 6.326 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.679 7.617 -1.425 1.00 0.00 H new ATOM 0 HG SER A 6 20.191 6.959 -2.632 1.00 0.00 H new ATOM 59 N GLY A 7 22.105 3.543 -2.451 1.00 0.00 N ATOM 60 CA GLY A 7 21.373 2.288 -2.474 1.00 0.00 C ATOM 61 C GLY A 7 22.095 1.248 -3.333 1.00 0.00 C ATOM 62 O GLY A 7 22.595 1.567 -4.411 1.00 0.00 O ATOM 0 H GLY A 7 23.077 3.464 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.260 1.910 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.370 2.455 -2.866 1.00 0.00 H new ATOM 66 N ALA A 8 22.126 0.025 -2.823 1.00 0.00 N ATOM 67 CA ALA A 8 22.779 -1.064 -3.531 1.00 0.00 C ATOM 68 C ALA A 8 22.119 -2.387 -3.139 1.00 0.00 C ATOM 69 O ALA A 8 22.622 -3.105 -2.276 1.00 0.00 O ATOM 70 CB ALA A 8 24.278 -1.046 -3.224 1.00 0.00 C ATOM 0 H ALA A 8 21.710 -0.236 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 8 22.666 -0.945 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 8 24.768 -1.862 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.704 -0.096 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 8 24.431 -1.167 -2.152 1.00 0.00 H new ATOM 76 N GLU A 9 21.002 -2.671 -3.793 1.00 0.00 N ATOM 77 CA GLU A 9 20.268 -3.896 -3.525 1.00 0.00 C ATOM 78 C GLU A 9 20.377 -4.267 -2.044 1.00 0.00 C ATOM 79 O GLU A 9 21.240 -5.055 -1.660 1.00 0.00 O ATOM 80 CB GLU A 9 20.764 -5.039 -4.414 1.00 0.00 C ATOM 81 CG GLU A 9 22.289 -5.148 -4.366 1.00 0.00 C ATOM 82 CD GLU A 9 22.943 -4.095 -5.263 1.00 0.00 C ATOM 83 OE1 GLU A 9 22.434 -3.915 -6.390 1.00 0.00 O ATOM 84 OE2 GLU A 9 23.938 -3.495 -4.802 1.00 0.00 O ATOM 0 H GLU A 9 20.587 -2.073 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 9 19.218 -3.726 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 9 20.318 -5.978 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.440 -4.873 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.634 -5.022 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 9 22.596 -6.144 -4.685 1.00 0.00 H new ATOM 91 N LEU A 10 19.490 -3.681 -1.254 1.00 0.00 N ATOM 92 CA LEU A 10 19.476 -3.939 0.176 1.00 0.00 C ATOM 93 C LEU A 10 18.795 -5.284 0.440 1.00 0.00 C ATOM 94 O LEU A 10 19.432 -6.224 0.912 1.00 0.00 O ATOM 95 CB LEU A 10 18.837 -2.769 0.926 1.00 0.00 C ATOM 96 CG LEU A 10 18.733 -1.453 0.152 1.00 0.00 C ATOM 97 CD1 LEU A 10 18.308 -0.307 1.072 1.00 0.00 C ATOM 98 CD2 LEU A 10 20.040 -1.144 -0.582 1.00 0.00 C ATOM 0 H LEU A 10 18.776 -3.028 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 10 20.494 -4.015 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.835 -3.066 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.411 -2.589 1.835 1.00 0.00 H new ATOM 0 HG LEU A 10 17.956 -1.563 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 10 18.242 0.616 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 10 17.335 -0.533 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.044 -0.187 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.939 -0.204 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.852 -1.061 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.261 -1.947 -1.286 1.00 0.00 H new ATOM 110 N THR A 11 17.509 -5.331 0.124 1.00 0.00 N ATOM 111 CA THR A 11 16.735 -6.545 0.322 1.00 0.00 C ATOM 112 C THR A 11 15.642 -6.659 -0.743 1.00 0.00 C ATOM 113 O THR A 11 15.825 -6.215 -1.876 1.00 0.00 O ATOM 114 CB THR A 11 16.191 -6.532 1.752 1.00 0.00 C ATOM 115 OG1 THR A 11 15.175 -5.533 1.727 1.00 0.00 O ATOM 116 CG2 THR A 11 17.211 -6.001 2.761 1.00 0.00 C ATOM 0 H THR A 11 16.984 -4.549 -0.267 1.00 0.00 H new ATOM 0 HA THR A 11 17.355 -7.433 0.204 1.00 0.00 H new ATOM 0 HB THR A 11 15.891 -7.541 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.767 -5.459 2.615 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.775 -6.013 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.100 -6.632 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.486 -4.980 2.497 1.00 0.00 H new ATOM 124 N ALA A 12 14.530 -7.258 -0.342 1.00 0.00 N ATOM 125 CA ALA A 12 13.408 -7.436 -1.248 1.00 0.00 C ATOM 126 C ALA A 12 12.488 -6.217 -1.159 1.00 0.00 C ATOM 127 O ALA A 12 11.842 -5.849 -2.140 1.00 0.00 O ATOM 128 CB ALA A 12 12.682 -8.740 -0.911 1.00 0.00 C ATOM 0 H ALA A 12 14.382 -7.626 0.598 1.00 0.00 H new ATOM 0 HA ALA A 12 13.755 -7.513 -2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.840 -8.874 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.371 -9.578 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.317 -8.698 0.115 1.00 0.00 H new ATOM 134 N LEU A 13 12.457 -5.623 0.025 1.00 0.00 N ATOM 135 CA LEU A 13 11.627 -4.453 0.254 1.00 0.00 C ATOM 136 C LEU A 13 12.323 -3.218 -0.321 1.00 0.00 C ATOM 137 O LEU A 13 11.782 -2.548 -1.199 1.00 0.00 O ATOM 138 CB LEU A 13 11.277 -4.326 1.738 1.00 0.00 C ATOM 139 CG LEU A 13 9.786 -4.344 2.080 1.00 0.00 C ATOM 140 CD1 LEU A 13 8.986 -3.500 1.086 1.00 0.00 C ATOM 141 CD2 LEU A 13 9.260 -5.778 2.168 1.00 0.00 C ATOM 0 H LEU A 13 12.994 -5.930 0.836 1.00 0.00 H new ATOM 0 HA LEU A 13 10.675 -4.554 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.763 -5.140 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.704 -3.396 2.113 1.00 0.00 H new ATOM 0 HG LEU A 13 9.656 -3.893 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.929 -3.530 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.339 -2.469 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.119 -3.899 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.198 -5.762 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.404 -6.278 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.803 -6.318 2.944 1.00 0.00 H new ATOM 153 N GLU A 14 13.514 -2.954 0.197 1.00 0.00 N ATOM 154 CA GLU A 14 14.290 -1.812 -0.254 1.00 0.00 C ATOM 155 C GLU A 14 14.433 -1.836 -1.777 1.00 0.00 C ATOM 156 O GLU A 14 14.144 -0.845 -2.447 1.00 0.00 O ATOM 157 CB GLU A 14 15.660 -1.777 0.426 1.00 0.00 C ATOM 158 CG GLU A 14 15.516 -1.698 1.947 1.00 0.00 C ATOM 159 CD GLU A 14 15.286 -0.255 2.402 1.00 0.00 C ATOM 160 OE1 GLU A 14 15.569 0.649 1.586 1.00 0.00 O ATOM 161 OE2 GLU A 14 14.833 -0.089 3.555 1.00 0.00 O ATOM 0 H GLU A 14 13.960 -3.512 0.925 1.00 0.00 H new ATOM 0 HA GLU A 14 13.759 -0.902 0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.226 -2.669 0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.227 -0.918 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.683 -2.322 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.414 -2.094 2.422 1.00 0.00 H new ATOM 168 N SER A 15 14.880 -2.977 -2.279 1.00 0.00 N ATOM 169 CA SER A 15 15.066 -3.143 -3.711 1.00 0.00 C ATOM 170 C SER A 15 13.961 -2.406 -4.470 1.00 0.00 C ATOM 171 O SER A 15 14.215 -1.385 -5.107 1.00 0.00 O ATOM 172 CB SER A 15 15.079 -4.623 -4.097 1.00 0.00 C ATOM 173 OG SER A 15 16.405 -5.127 -4.234 1.00 0.00 O ATOM 0 H SER A 15 15.119 -3.796 -1.720 1.00 0.00 H new ATOM 0 HA SER A 15 16.032 -2.717 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.548 -5.200 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.541 -4.758 -5.035 1.00 0.00 H new ATOM 0 HG SER A 15 16.631 -5.670 -3.450 1.00 0.00 H new ATOM 179 N LEU A 16 12.758 -2.954 -4.379 1.00 0.00 N ATOM 180 CA LEU A 16 11.613 -2.362 -5.049 1.00 0.00 C ATOM 181 C LEU A 16 11.549 -0.869 -4.719 1.00 0.00 C ATOM 182 O LEU A 16 11.439 -0.035 -5.616 1.00 0.00 O ATOM 183 CB LEU A 16 10.333 -3.124 -4.699 1.00 0.00 C ATOM 184 CG LEU A 16 10.036 -4.361 -5.549 1.00 0.00 C ATOM 185 CD1 LEU A 16 8.783 -4.152 -6.402 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.249 -4.748 -6.398 1.00 0.00 C ATOM 0 H LEU A 16 12.552 -3.802 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 16 11.721 -2.446 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.390 -3.430 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.490 -2.438 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 16 9.834 -5.196 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.594 -5.046 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.929 -3.961 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.932 -3.300 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.011 -5.630 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.507 -3.922 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.094 -4.967 -5.746 1.00 0.00 H new ATOM 198 N ILE A 17 11.621 -0.578 -3.428 1.00 0.00 N ATOM 199 CA ILE A 17 11.573 0.799 -2.968 1.00 0.00 C ATOM 200 C ILE A 17 12.577 1.634 -3.765 1.00 0.00 C ATOM 201 O ILE A 17 12.304 2.786 -4.101 1.00 0.00 O ATOM 202 CB ILE A 17 11.784 0.866 -1.454 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.670 0.124 -0.712 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.920 2.315 -0.982 1.00 0.00 C ATOM 205 CD1 ILE A 17 11.075 -0.171 0.733 1.00 0.00 C ATOM 0 H ILE A 17 11.712 -1.273 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 17 10.587 1.226 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 17 12.721 0.361 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.759 0.723 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.444 -0.809 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.069 2.334 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.774 2.779 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.013 2.866 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.265 -0.699 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.972 -0.790 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.277 0.766 1.253 1.00 0.00 H new ATOM 217 N GLU A 18 13.718 1.021 -4.046 1.00 0.00 N ATOM 218 CA GLU A 18 14.764 1.694 -4.798 1.00 0.00 C ATOM 219 C GLU A 18 14.263 2.054 -6.198 1.00 0.00 C ATOM 220 O GLU A 18 14.591 3.116 -6.724 1.00 0.00 O ATOM 221 CB GLU A 18 16.026 0.833 -4.871 1.00 0.00 C ATOM 222 CG GLU A 18 17.220 1.554 -4.242 1.00 0.00 C ATOM 223 CD GLU A 18 18.149 2.118 -5.319 1.00 0.00 C ATOM 224 OE1 GLU A 18 18.612 1.307 -6.150 1.00 0.00 O ATOM 225 OE2 GLU A 18 18.376 3.347 -5.286 1.00 0.00 O ATOM 0 H GLU A 18 13.941 0.066 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 18 15.023 2.616 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.855 -0.113 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.248 0.594 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.866 2.362 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.773 0.863 -3.605 1.00 0.00 H new ATOM 232 N MET A 19 13.476 1.149 -6.761 1.00 0.00 N ATOM 233 CA MET A 19 12.927 1.358 -8.090 1.00 0.00 C ATOM 234 C MET A 19 12.026 2.594 -8.122 1.00 0.00 C ATOM 235 O MET A 19 11.857 3.216 -9.170 1.00 0.00 O ATOM 236 CB MET A 19 12.120 0.127 -8.508 1.00 0.00 C ATOM 237 CG MET A 19 12.985 -1.135 -8.469 1.00 0.00 C ATOM 238 SD MET A 19 12.410 -2.307 -9.686 1.00 0.00 S ATOM 239 CE MET A 19 13.182 -3.795 -9.071 1.00 0.00 C ATOM 0 H MET A 19 13.205 0.269 -6.321 1.00 0.00 H new ATOM 0 HA MET A 19 13.753 1.515 -8.784 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.264 0.006 -7.844 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.725 0.271 -9.514 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.026 -0.878 -8.663 1.00 0.00 H new ATOM 0 HG3 MET A 19 12.947 -1.582 -7.475 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.988 -4.091 -9.742 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.588 -3.610 -8.076 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.442 -4.594 -9.018 1.00 0.00 H new ATOM 249 N GLY A 20 11.471 2.914 -6.962 1.00 0.00 N ATOM 250 CA GLY A 20 10.592 4.064 -6.845 1.00 0.00 C ATOM 251 C GLY A 20 9.154 3.629 -6.552 1.00 0.00 C ATOM 252 O GLY A 20 8.209 4.360 -6.843 1.00 0.00 O ATOM 0 H GLY A 20 11.613 2.396 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.947 4.718 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.620 4.642 -7.768 1.00 0.00 H new ATOM 256 N PHE A 21 9.036 2.439 -5.980 1.00 0.00 N ATOM 257 CA PHE A 21 7.730 1.898 -5.645 1.00 0.00 C ATOM 258 C PHE A 21 7.382 2.171 -4.180 1.00 0.00 C ATOM 259 O PHE A 21 8.273 2.326 -3.345 1.00 0.00 O ATOM 260 CB PHE A 21 7.803 0.385 -5.865 1.00 0.00 C ATOM 261 CG PHE A 21 7.498 -0.050 -7.300 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.371 0.392 -7.920 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.354 -0.879 -7.956 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.088 -0.012 -9.251 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.071 -1.282 -9.287 1.00 0.00 C ATOM 266 CZ PHE A 21 6.944 -0.840 -9.907 1.00 0.00 C ATOM 0 H PHE A 21 9.823 1.835 -5.741 1.00 0.00 H new ATOM 0 HA PHE A 21 6.964 2.364 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.800 0.036 -5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.100 -0.104 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.691 1.050 -7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.249 -1.230 -7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.193 0.338 -9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.751 -1.940 -9.808 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.729 -1.147 -10.920 1.00 0.00 H new ATOM 276 N PRO A 22 6.052 2.224 -3.905 1.00 0.00 N ATOM 277 CA PRO A 22 5.576 2.476 -2.555 1.00 0.00 C ATOM 278 C PRO A 22 5.744 1.237 -1.674 1.00 0.00 C ATOM 279 O PRO A 22 5.464 0.120 -2.107 1.00 0.00 O ATOM 280 CB PRO A 22 4.124 2.893 -2.722 1.00 0.00 C ATOM 281 CG PRO A 22 3.708 2.413 -4.103 1.00 0.00 C ATOM 282 CD PRO A 22 4.969 2.045 -4.868 1.00 0.00 C ATOM 0 HA PRO A 22 6.145 3.255 -2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.498 2.447 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.016 3.974 -2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.044 1.552 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.157 3.193 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.927 1.018 -5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.104 2.685 -5.740 1.00 0.00 H new ATOM 290 N ARG A 23 6.202 1.475 -0.454 1.00 0.00 N ATOM 291 CA ARG A 23 6.411 0.393 0.492 1.00 0.00 C ATOM 292 C ARG A 23 5.204 -0.548 0.497 1.00 0.00 C ATOM 293 O ARG A 23 5.343 -1.743 0.238 1.00 0.00 O ATOM 294 CB ARG A 23 6.634 0.932 1.907 1.00 0.00 C ATOM 295 CG ARG A 23 7.349 -0.100 2.781 1.00 0.00 C ATOM 296 CD ARG A 23 8.437 0.561 3.630 1.00 0.00 C ATOM 297 NE ARG A 23 9.569 -0.373 3.818 1.00 0.00 N ATOM 298 CZ ARG A 23 9.536 -1.441 4.627 1.00 0.00 C ATOM 299 NH1 ARG A 23 8.428 -1.717 5.328 1.00 0.00 N ATOM 300 NH2 ARG A 23 10.612 -2.233 4.735 1.00 0.00 N ATOM 0 H ARG A 23 6.434 2.402 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 23 7.301 -0.153 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.224 1.847 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.675 1.192 2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.627 -0.595 3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.792 -0.871 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.784 1.473 3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.029 0.850 4.598 1.00 0.00 H new ATOM 0 HE ARG A 23 10.429 -0.193 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.609 -1.114 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.403 -2.530 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.456 -2.023 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.587 -3.046 5.351 1.00 0.00 H new ATOM 314 N GLY A 24 4.048 0.025 0.795 1.00 0.00 N ATOM 315 CA GLY A 24 2.818 -0.747 0.837 1.00 0.00 C ATOM 316 C GLY A 24 2.778 -1.777 -0.294 1.00 0.00 C ATOM 317 O GLY A 24 2.578 -2.965 -0.049 1.00 0.00 O ATOM 0 H GLY A 24 3.937 1.016 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.735 -1.254 1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.961 -0.078 0.755 1.00 0.00 H new ATOM 321 N ARG A 25 2.972 -1.282 -1.508 1.00 0.00 N ATOM 322 CA ARG A 25 2.960 -2.145 -2.677 1.00 0.00 C ATOM 323 C ARG A 25 4.070 -3.193 -2.575 1.00 0.00 C ATOM 324 O ARG A 25 3.794 -4.382 -2.426 1.00 0.00 O ATOM 325 CB ARG A 25 3.151 -1.334 -3.961 1.00 0.00 C ATOM 326 CG ARG A 25 1.825 -1.167 -4.706 1.00 0.00 C ATOM 327 CD ARG A 25 2.023 -0.394 -6.011 1.00 0.00 C ATOM 328 NE ARG A 25 1.088 0.752 -6.068 1.00 0.00 N ATOM 329 CZ ARG A 25 0.888 1.505 -7.158 1.00 0.00 C ATOM 330 NH1 ARG A 25 1.557 1.238 -8.289 1.00 0.00 N ATOM 331 NH2 ARG A 25 0.020 2.525 -7.118 1.00 0.00 N ATOM 0 H ARG A 25 3.138 -0.296 -1.707 1.00 0.00 H new ATOM 0 HA ARG A 25 1.990 -2.641 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.562 -0.354 -3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.874 -1.833 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.399 -2.147 -4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.111 -0.641 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.051 -0.039 -6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.855 -1.053 -6.863 1.00 0.00 H new ATOM 0 HE ARG A 25 0.563 0.983 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.218 0.462 -8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.405 1.811 -9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.489 2.728 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.132 3.098 -7.948 1.00 0.00 H new ATOM 345 N ALA A 26 5.302 -2.714 -2.658 1.00 0.00 N ATOM 346 CA ALA A 26 6.455 -3.594 -2.577 1.00 0.00 C ATOM 347 C ALA A 26 6.210 -4.650 -1.497 1.00 0.00 C ATOM 348 O ALA A 26 6.248 -5.848 -1.774 1.00 0.00 O ATOM 349 CB ALA A 26 7.713 -2.766 -2.307 1.00 0.00 C ATOM 0 H ALA A 26 5.527 -1.727 -2.781 1.00 0.00 H new ATOM 0 HA ALA A 26 6.605 -4.116 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.578 -3.427 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.859 -2.051 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.600 -2.229 -1.365 1.00 0.00 H new ATOM 355 N GLU A 27 5.963 -4.167 -0.288 1.00 0.00 N ATOM 356 CA GLU A 27 5.711 -5.054 0.835 1.00 0.00 C ATOM 357 C GLU A 27 4.520 -5.965 0.535 1.00 0.00 C ATOM 358 O GLU A 27 4.665 -7.185 0.477 1.00 0.00 O ATOM 359 CB GLU A 27 5.483 -4.258 2.122 1.00 0.00 C ATOM 360 CG GLU A 27 6.547 -4.592 3.169 1.00 0.00 C ATOM 361 CD GLU A 27 6.075 -4.206 4.573 1.00 0.00 C ATOM 362 OE1 GLU A 27 6.322 -3.042 4.954 1.00 0.00 O ATOM 363 OE2 GLU A 27 5.479 -5.084 5.232 1.00 0.00 O ATOM 0 H GLU A 27 5.932 -3.173 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 27 6.592 -5.678 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.506 -3.191 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.493 -4.480 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.772 -5.658 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.471 -4.064 2.934 1.00 0.00 H new ATOM 370 N LYS A 28 3.367 -5.337 0.353 1.00 0.00 N ATOM 371 CA LYS A 28 2.151 -6.076 0.061 1.00 0.00 C ATOM 372 C LYS A 28 2.462 -7.185 -0.947 1.00 0.00 C ATOM 373 O LYS A 28 2.170 -8.354 -0.699 1.00 0.00 O ATOM 374 CB LYS A 28 1.042 -5.125 -0.395 1.00 0.00 C ATOM 375 CG LYS A 28 -0.164 -5.903 -0.926 1.00 0.00 C ATOM 376 CD LYS A 28 -1.145 -4.972 -1.641 1.00 0.00 C ATOM 377 CE LYS A 28 -2.467 -5.686 -1.930 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.516 -5.234 -0.989 1.00 0.00 N ATOM 0 H LYS A 28 3.250 -4.325 0.402 1.00 0.00 H new ATOM 0 HA LYS A 28 1.774 -6.560 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.734 -4.494 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.423 -4.463 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.173 -6.679 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.669 -6.405 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.330 -4.091 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.705 -4.622 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.779 -5.486 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.332 -6.764 -1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.407 -5.728 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.223 -5.447 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.656 -4.209 -1.092 1.00 0.00 H new ATOM 392 N ALA A 29 3.051 -6.779 -2.062 1.00 0.00 N ATOM 393 CA ALA A 29 3.406 -7.723 -3.108 1.00 0.00 C ATOM 394 C ALA A 29 4.379 -8.760 -2.544 1.00 0.00 C ATOM 395 O ALA A 29 4.106 -9.958 -2.582 1.00 0.00 O ATOM 396 CB ALA A 29 3.988 -6.966 -4.303 1.00 0.00 C ATOM 0 H ALA A 29 3.291 -5.809 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 29 2.523 -8.257 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.254 -7.674 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.247 -6.263 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.878 -6.420 -3.990 1.00 0.00 H new ATOM 402 N LEU A 30 5.496 -8.261 -2.035 1.00 0.00 N ATOM 403 CA LEU A 30 6.512 -9.129 -1.464 1.00 0.00 C ATOM 404 C LEU A 30 5.844 -10.147 -0.537 1.00 0.00 C ATOM 405 O LEU A 30 6.347 -11.256 -0.362 1.00 0.00 O ATOM 406 CB LEU A 30 7.604 -8.301 -0.784 1.00 0.00 C ATOM 407 CG LEU A 30 8.829 -7.973 -1.640 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.594 -9.245 -2.011 1.00 0.00 C ATOM 409 CD2 LEU A 30 8.433 -7.162 -2.875 1.00 0.00 C ATOM 0 H LEU A 30 5.720 -7.266 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 30 7.016 -9.694 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.163 -7.365 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.939 -8.837 0.104 1.00 0.00 H new ATOM 0 HG LEU A 30 9.503 -7.352 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.460 -8.984 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.927 -9.748 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.941 -9.911 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.322 -6.942 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.729 -7.737 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.965 -6.228 -2.563 1.00 0.00 H new ATOM 421 N ALA A 31 4.721 -9.734 0.032 1.00 0.00 N ATOM 422 CA ALA A 31 3.980 -10.596 0.936 1.00 0.00 C ATOM 423 C ALA A 31 3.188 -11.621 0.122 1.00 0.00 C ATOM 424 O ALA A 31 3.437 -12.822 0.217 1.00 0.00 O ATOM 425 CB ALA A 31 3.080 -9.743 1.833 1.00 0.00 C ATOM 0 H ALA A 31 4.307 -8.814 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 31 4.661 -11.146 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.524 -10.390 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.693 -9.052 2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.381 -9.178 1.216 1.00 0.00 H new ATOM 431 N LEU A 32 2.248 -11.110 -0.660 1.00 0.00 N ATOM 432 CA LEU A 32 1.418 -11.966 -1.491 1.00 0.00 C ATOM 433 C LEU A 32 2.293 -13.037 -2.146 1.00 0.00 C ATOM 434 O LEU A 32 2.052 -14.231 -1.975 1.00 0.00 O ATOM 435 CB LEU A 32 0.617 -11.129 -2.490 1.00 0.00 C ATOM 436 CG LEU A 32 -0.691 -10.532 -1.968 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.939 -9.146 -2.568 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.865 -11.482 -2.216 1.00 0.00 C ATOM 0 H LEU A 32 2.043 -10.114 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 32 0.678 -12.487 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.250 -10.314 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.389 -11.752 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.602 -10.405 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.875 -8.744 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.119 -8.481 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.000 -9.225 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.783 -11.033 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.966 -11.663 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.683 -12.427 -1.703 1.00 0.00 H new ATOM 450 N THR A 33 3.290 -12.571 -2.884 1.00 0.00 N ATOM 451 CA THR A 33 4.201 -13.473 -3.566 1.00 0.00 C ATOM 452 C THR A 33 4.681 -14.569 -2.612 1.00 0.00 C ATOM 453 O THR A 33 4.625 -15.753 -2.942 1.00 0.00 O ATOM 454 CB THR A 33 5.341 -12.639 -4.155 1.00 0.00 C ATOM 455 OG1 THR A 33 5.965 -12.052 -3.016 1.00 0.00 O ATOM 456 CG2 THR A 33 4.833 -11.441 -4.960 1.00 0.00 C ATOM 0 H THR A 33 3.486 -11.580 -3.024 1.00 0.00 H new ATOM 0 HA THR A 33 3.703 -13.993 -4.384 1.00 0.00 H new ATOM 0 HB THR A 33 5.961 -13.269 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.505 -11.218 -2.784 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.681 -10.883 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.214 -11.793 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.242 -10.793 -4.313 1.00 0.00 H new ATOM 464 N GLY A 34 5.141 -14.135 -1.448 1.00 0.00 N ATOM 465 CA GLY A 34 5.630 -15.064 -0.443 1.00 0.00 C ATOM 466 C GLY A 34 7.116 -14.835 -0.161 1.00 0.00 C ATOM 467 O GLY A 34 7.851 -15.780 0.119 1.00 0.00 O ATOM 0 H GLY A 34 5.186 -13.152 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.059 -14.943 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.474 -16.088 -0.783 1.00 0.00 H new ATOM 471 N ASN A 35 7.513 -13.574 -0.244 1.00 0.00 N ATOM 472 CA ASN A 35 8.898 -13.208 -0.001 1.00 0.00 C ATOM 473 C ASN A 35 9.816 -14.191 -0.729 1.00 0.00 C ATOM 474 O ASN A 35 10.717 -14.770 -0.124 1.00 0.00 O ATOM 475 CB ASN A 35 9.230 -13.268 1.492 1.00 0.00 C ATOM 476 CG ASN A 35 8.167 -12.544 2.320 1.00 0.00 C ATOM 477 OD1 ASN A 35 7.456 -13.133 3.117 1.00 0.00 O ATOM 478 ND2 ASN A 35 8.098 -11.236 2.087 1.00 0.00 N ATOM 0 H ASN A 35 6.900 -12.793 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 35 9.046 -12.191 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.299 -14.308 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.205 -12.815 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.420 -10.664 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.723 -10.806 1.406 1.00 0.00 H new ATOM 485 N GLN A 36 9.556 -14.350 -2.019 1.00 0.00 N ATOM 486 CA GLN A 36 10.348 -15.253 -2.836 1.00 0.00 C ATOM 487 C GLN A 36 11.519 -14.503 -3.474 1.00 0.00 C ATOM 488 O GLN A 36 12.592 -15.073 -3.671 1.00 0.00 O ATOM 489 CB GLN A 36 9.483 -15.928 -3.903 1.00 0.00 C ATOM 490 CG GLN A 36 8.390 -16.785 -3.261 1.00 0.00 C ATOM 491 CD GLN A 36 8.845 -18.239 -3.120 1.00 0.00 C ATOM 492 OE1 GLN A 36 9.238 -18.693 -2.058 1.00 0.00 O ATOM 493 NE2 GLN A 36 8.771 -18.940 -4.248 1.00 0.00 N ATOM 0 H GLN A 36 8.808 -13.868 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 36 10.750 -16.035 -2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.028 -15.170 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.108 -16.550 -4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.137 -16.383 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.485 -16.741 -3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.432 -18.497 -5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.053 -19.920 -4.259 1.00 0.00 H new ATOM 502 N GLY A 37 11.275 -13.237 -3.778 1.00 0.00 N ATOM 503 CA GLY A 37 12.296 -12.404 -4.389 1.00 0.00 C ATOM 504 C GLY A 37 11.677 -11.163 -5.035 1.00 0.00 C ATOM 505 O GLY A 37 10.478 -10.922 -4.901 1.00 0.00 O ATOM 0 H GLY A 37 10.385 -12.768 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.023 -12.102 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.837 -12.978 -5.141 1.00 0.00 H new ATOM 509 N ILE A 38 12.522 -10.407 -5.721 1.00 0.00 N ATOM 510 CA ILE A 38 12.072 -9.197 -6.388 1.00 0.00 C ATOM 511 C ILE A 38 11.329 -9.573 -7.671 1.00 0.00 C ATOM 512 O ILE A 38 10.143 -9.278 -7.815 1.00 0.00 O ATOM 513 CB ILE A 38 13.247 -8.243 -6.615 1.00 0.00 C ATOM 514 CG1 ILE A 38 13.747 -7.665 -5.289 1.00 0.00 C ATOM 515 CG2 ILE A 38 12.876 -7.146 -7.615 1.00 0.00 C ATOM 516 CD1 ILE A 38 12.649 -6.860 -4.592 1.00 0.00 C ATOM 0 H ILE A 38 13.516 -10.609 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 38 11.367 -8.654 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 38 14.070 -8.810 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 38 14.079 -8.474 -4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.612 -7.026 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.728 -6.481 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.605 -7.599 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.031 -6.575 -7.231 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.031 -6.461 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.337 -6.037 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.795 -7.507 -4.391 1.00 0.00 H new ATOM 528 N GLU A 39 12.056 -10.219 -8.571 1.00 0.00 N ATOM 529 CA GLU A 39 11.480 -10.639 -9.837 1.00 0.00 C ATOM 530 C GLU A 39 10.042 -11.121 -9.632 1.00 0.00 C ATOM 531 O GLU A 39 9.112 -10.584 -10.231 1.00 0.00 O ATOM 532 CB GLU A 39 12.334 -11.724 -10.495 1.00 0.00 C ATOM 533 CG GLU A 39 13.558 -11.115 -11.184 1.00 0.00 C ATOM 534 CD GLU A 39 13.558 -11.431 -12.681 1.00 0.00 C ATOM 535 OE1 GLU A 39 12.589 -11.010 -13.350 1.00 0.00 O ATOM 536 OE2 GLU A 39 14.526 -12.086 -13.123 1.00 0.00 O ATOM 0 H GLU A 39 13.039 -10.462 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 39 11.462 -9.781 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.656 -12.444 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.736 -12.270 -11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.563 -10.035 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.468 -11.503 -10.727 1.00 0.00 H new ATOM 543 N ALA A 40 9.906 -12.130 -8.784 1.00 0.00 N ATOM 544 CA ALA A 40 8.598 -12.691 -8.493 1.00 0.00 C ATOM 545 C ALA A 40 7.649 -11.569 -8.067 1.00 0.00 C ATOM 546 O ALA A 40 6.514 -11.500 -8.534 1.00 0.00 O ATOM 547 CB ALA A 40 8.734 -13.777 -7.424 1.00 0.00 C ATOM 0 H ALA A 40 10.680 -12.573 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 40 8.176 -13.160 -9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.752 -14.198 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.394 -14.565 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.153 -13.343 -6.516 1.00 0.00 H new ATOM 553 N ALA A 41 8.151 -10.718 -7.184 1.00 0.00 N ATOM 554 CA ALA A 41 7.362 -9.602 -6.689 1.00 0.00 C ATOM 555 C ALA A 41 6.913 -8.738 -7.869 1.00 0.00 C ATOM 556 O ALA A 41 5.722 -8.657 -8.166 1.00 0.00 O ATOM 557 CB ALA A 41 8.181 -8.812 -5.667 1.00 0.00 C ATOM 0 H ALA A 41 9.094 -10.779 -6.799 1.00 0.00 H new ATOM 0 HA ALA A 41 6.466 -9.960 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.590 -7.975 -5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.451 -9.463 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.087 -8.434 -6.141 1.00 0.00 H new ATOM 563 N MET A 42 7.890 -8.114 -8.511 1.00 0.00 N ATOM 564 CA MET A 42 7.610 -7.259 -9.652 1.00 0.00 C ATOM 565 C MET A 42 6.506 -7.856 -10.527 1.00 0.00 C ATOM 566 O MET A 42 5.563 -7.162 -10.903 1.00 0.00 O ATOM 567 CB MET A 42 8.882 -7.083 -10.483 1.00 0.00 C ATOM 568 CG MET A 42 9.782 -5.999 -9.887 1.00 0.00 C ATOM 569 SD MET A 42 10.512 -5.025 -11.192 1.00 0.00 S ATOM 570 CE MET A 42 11.517 -6.270 -11.984 1.00 0.00 C ATOM 0 H MET A 42 8.877 -8.184 -8.262 1.00 0.00 H new ATOM 0 HA MET A 42 7.271 -6.291 -9.282 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.425 -8.027 -10.528 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.618 -6.819 -11.507 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.202 -5.357 -9.224 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.565 -6.457 -9.282 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.215 -5.791 -12.671 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.074 -6.823 -11.228 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.876 -6.957 -12.537 1.00 0.00 H new ATOM 580 N ASP A 43 6.660 -9.138 -10.825 1.00 0.00 N ATOM 581 CA ASP A 43 5.688 -9.836 -11.649 1.00 0.00 C ATOM 582 C ASP A 43 4.279 -9.521 -11.144 1.00 0.00 C ATOM 583 O ASP A 43 3.396 -9.181 -11.930 1.00 0.00 O ATOM 584 CB ASP A 43 5.890 -11.351 -11.574 1.00 0.00 C ATOM 585 CG ASP A 43 5.395 -12.131 -12.793 1.00 0.00 C ATOM 586 OD1 ASP A 43 4.977 -11.462 -13.763 1.00 0.00 O ATOM 587 OD2 ASP A 43 5.446 -13.378 -12.729 1.00 0.00 O ATOM 0 H ASP A 43 7.443 -9.711 -10.511 1.00 0.00 H new ATOM 0 HA ASP A 43 5.819 -9.505 -12.679 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.952 -11.554 -11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.378 -11.727 -10.688 1.00 0.00 H new ATOM 592 N TRP A 44 4.111 -9.646 -9.836 1.00 0.00 N ATOM 593 CA TRP A 44 2.824 -9.379 -9.217 1.00 0.00 C ATOM 594 C TRP A 44 2.391 -7.967 -9.618 1.00 0.00 C ATOM 595 O TRP A 44 1.394 -7.795 -10.318 1.00 0.00 O ATOM 596 CB TRP A 44 2.892 -9.577 -7.702 1.00 0.00 C ATOM 597 CG TRP A 44 1.532 -9.512 -7.004 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.712 -10.527 -6.700 1.00 0.00 C ATOM 599 CD2 TRP A 44 0.864 -8.323 -6.532 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.432 -10.081 -6.069 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.337 -8.699 -5.964 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.260 -6.975 -6.583 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.239 -7.786 -5.404 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.348 -6.075 -6.020 1.00 0.00 C ATOM 605 CH2 TRP A 44 -0.865 -6.437 -5.444 1.00 0.00 C ATOM 0 H TRP A 44 4.845 -9.929 -9.187 1.00 0.00 H new ATOM 0 HA TRP A 44 2.073 -10.086 -9.568 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.351 -10.543 -7.492 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.545 -8.815 -7.275 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.920 -11.564 -6.921 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.205 -10.660 -5.740 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.195 -6.659 -7.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.173 -8.105 -4.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.604 -5.026 -6.034 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.516 -5.681 -5.029 1.00 0.00 H new ATOM 616 N LEU A 45 3.161 -6.993 -9.155 1.00 0.00 N ATOM 617 CA LEU A 45 2.869 -5.602 -9.456 1.00 0.00 C ATOM 618 C LEU A 45 2.561 -5.461 -10.948 1.00 0.00 C ATOM 619 O LEU A 45 1.506 -4.952 -11.323 1.00 0.00 O ATOM 620 CB LEU A 45 4.007 -4.700 -8.975 1.00 0.00 C ATOM 621 CG LEU A 45 4.262 -4.688 -7.467 1.00 0.00 C ATOM 622 CD1 LEU A 45 5.739 -4.427 -7.162 1.00 0.00 C ATOM 623 CD2 LEU A 45 3.346 -3.685 -6.764 1.00 0.00 C ATOM 0 H LEU A 45 3.986 -7.140 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 45 1.982 -5.273 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.925 -5.008 -9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.796 -3.680 -9.296 1.00 0.00 H new ATOM 0 HG LEU A 45 4.022 -5.675 -7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.893 -4.424 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.348 -5.211 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.030 -3.460 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.548 -3.697 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.531 -2.685 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.305 -3.957 -6.940 1.00 0.00 H new ATOM 635 N MET A 46 3.502 -5.922 -11.760 1.00 0.00 N ATOM 636 CA MET A 46 3.344 -5.853 -13.203 1.00 0.00 C ATOM 637 C MET A 46 1.999 -6.441 -13.636 1.00 0.00 C ATOM 638 O MET A 46 1.211 -5.771 -14.302 1.00 0.00 O ATOM 639 CB MET A 46 4.480 -6.625 -13.878 1.00 0.00 C ATOM 640 CG MET A 46 5.790 -5.837 -13.819 1.00 0.00 C ATOM 641 SD MET A 46 5.660 -4.362 -14.816 1.00 0.00 S ATOM 642 CE MET A 46 6.381 -3.169 -13.701 1.00 0.00 C ATOM 0 H MET A 46 4.376 -6.344 -11.446 1.00 0.00 H new ATOM 0 HA MET A 46 3.375 -4.806 -13.504 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.610 -7.590 -13.388 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.220 -6.827 -14.917 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.017 -5.570 -12.787 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.613 -6.456 -14.176 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.379 -2.185 -14.170 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.799 -3.134 -12.780 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.406 -3.459 -13.471 1.00 0.00 H new ATOM 652 N GLU A 47 1.779 -7.685 -13.240 1.00 0.00 N ATOM 653 CA GLU A 47 0.543 -8.371 -13.579 1.00 0.00 C ATOM 654 C GLU A 47 -0.643 -7.702 -12.880 1.00 0.00 C ATOM 655 O GLU A 47 -1.796 -7.956 -13.228 1.00 0.00 O ATOM 656 CB GLU A 47 0.624 -9.856 -13.221 1.00 0.00 C ATOM 657 CG GLU A 47 -0.084 -10.712 -14.273 1.00 0.00 C ATOM 658 CD GLU A 47 -1.376 -11.311 -13.715 1.00 0.00 C ATOM 659 OE1 GLU A 47 -1.286 -12.414 -13.134 1.00 0.00 O ATOM 660 OE2 GLU A 47 -2.425 -10.651 -13.881 1.00 0.00 O ATOM 0 H GLU A 47 2.435 -8.237 -12.687 1.00 0.00 H new ATOM 0 HA GLU A 47 0.393 -8.299 -14.656 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.668 -10.159 -13.143 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.170 -10.024 -12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.310 -10.104 -15.149 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.579 -11.512 -14.602 1.00 0.00 H new ATOM 667 N HIS A 48 -0.320 -6.862 -11.908 1.00 0.00 N ATOM 668 CA HIS A 48 -1.344 -6.155 -11.158 1.00 0.00 C ATOM 669 C HIS A 48 -1.405 -4.698 -11.620 1.00 0.00 C ATOM 670 O HIS A 48 -1.991 -3.853 -10.945 1.00 0.00 O ATOM 671 CB HIS A 48 -1.106 -6.291 -9.653 1.00 0.00 C ATOM 672 CG HIS A 48 -1.692 -7.545 -9.049 1.00 0.00 C ATOM 673 ND1 HIS A 48 -2.846 -7.541 -8.286 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.272 -8.841 -9.105 1.00 0.00 C ATOM 675 CE1 HIS A 48 -3.100 -8.784 -7.904 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.123 -9.588 -8.412 1.00 0.00 N ATOM 0 H HIS A 48 0.637 -6.655 -11.622 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.318 -6.603 -11.355 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.033 -6.276 -9.462 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.532 -5.424 -9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.396 -9.199 -9.625 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.934 -9.104 -7.297 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.057 -10.597 -8.281 1.00 0.00 H new ATOM 684 N GLU A 49 -0.792 -4.448 -12.768 1.00 0.00 N ATOM 685 CA GLU A 49 -0.769 -3.108 -13.327 1.00 0.00 C ATOM 686 C GLU A 49 -2.189 -2.546 -13.418 1.00 0.00 C ATOM 687 O GLU A 49 -2.382 -1.331 -13.407 1.00 0.00 O ATOM 688 CB GLU A 49 -0.087 -3.097 -14.697 1.00 0.00 C ATOM 689 CG GLU A 49 -0.973 -3.756 -15.756 1.00 0.00 C ATOM 690 CD GLU A 49 -1.359 -2.755 -16.847 1.00 0.00 C ATOM 691 OE1 GLU A 49 -0.463 -2.415 -17.649 1.00 0.00 O ATOM 692 OE2 GLU A 49 -2.543 -2.353 -16.855 1.00 0.00 O ATOM 0 H GLU A 49 -0.308 -5.151 -13.326 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.188 -2.469 -12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.133 -2.070 -14.989 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.866 -3.622 -14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.447 -4.600 -16.202 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.873 -4.153 -15.287 1.00 0.00 H new ATOM 699 N ASP A 50 -3.147 -3.457 -13.505 1.00 0.00 N ATOM 700 CA ASP A 50 -4.544 -3.067 -13.598 1.00 0.00 C ATOM 701 C ASP A 50 -5.219 -3.281 -12.242 1.00 0.00 C ATOM 702 O ASP A 50 -6.433 -3.467 -12.171 1.00 0.00 O ATOM 703 CB ASP A 50 -5.285 -3.915 -14.634 1.00 0.00 C ATOM 704 CG ASP A 50 -6.632 -3.350 -15.087 1.00 0.00 C ATOM 705 OD1 ASP A 50 -6.914 -2.189 -14.720 1.00 0.00 O ATOM 706 OD2 ASP A 50 -7.351 -4.092 -15.791 1.00 0.00 O ATOM 0 H ASP A 50 -2.984 -4.464 -13.513 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.583 -2.019 -13.896 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.645 -4.034 -15.508 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.446 -4.910 -14.219 1.00 0.00 H new ATOM 711 N ASP A 51 -4.403 -3.248 -11.198 1.00 0.00 N ATOM 712 CA ASP A 51 -4.907 -3.437 -9.848 1.00 0.00 C ATOM 713 C ASP A 51 -6.068 -2.471 -9.602 1.00 0.00 C ATOM 714 O ASP A 51 -6.005 -1.306 -9.994 1.00 0.00 O ATOM 715 CB ASP A 51 -3.822 -3.146 -8.810 1.00 0.00 C ATOM 716 CG ASP A 51 -2.937 -1.936 -9.121 1.00 0.00 C ATOM 717 OD1 ASP A 51 -3.518 -0.875 -9.435 1.00 0.00 O ATOM 718 OD2 ASP A 51 -1.701 -2.101 -9.036 1.00 0.00 O ATOM 0 H ASP A 51 -3.397 -3.093 -11.260 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.231 -4.473 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.299 -2.989 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.187 -4.027 -8.714 1.00 0.00 H new ATOM 723 N PRO A 52 -7.128 -3.004 -8.938 1.00 0.00 N ATOM 724 CA PRO A 52 -8.301 -2.202 -8.635 1.00 0.00 C ATOM 725 C PRO A 52 -8.022 -1.235 -7.483 1.00 0.00 C ATOM 726 O PRO A 52 -8.363 -0.055 -7.562 1.00 0.00 O ATOM 727 CB PRO A 52 -9.393 -3.209 -8.313 1.00 0.00 C ATOM 728 CG PRO A 52 -8.679 -4.512 -7.994 1.00 0.00 C ATOM 729 CD PRO A 52 -7.238 -4.379 -8.460 1.00 0.00 C ATOM 0 HA PRO A 52 -8.599 -1.562 -9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.994 -2.876 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.072 -3.332 -9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.717 -4.716 -6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.167 -5.348 -8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.539 -4.572 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.010 -5.093 -9.252 1.00 0.00 H new ATOM 737 N ASP A 53 -7.404 -1.769 -6.440 1.00 0.00 N ATOM 738 CA ASP A 53 -7.075 -0.968 -5.274 1.00 0.00 C ATOM 739 C ASP A 53 -5.803 -1.518 -4.626 1.00 0.00 C ATOM 740 O ASP A 53 -5.865 -2.181 -3.592 1.00 0.00 O ATOM 741 CB ASP A 53 -8.196 -1.022 -4.234 1.00 0.00 C ATOM 742 CG ASP A 53 -9.490 -0.314 -4.641 1.00 0.00 C ATOM 743 OD1 ASP A 53 -9.379 0.825 -5.144 1.00 0.00 O ATOM 744 OD2 ASP A 53 -10.560 -0.926 -4.439 1.00 0.00 O ATOM 0 H ASP A 53 -7.122 -2.747 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.936 0.062 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.423 -2.066 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.833 -0.578 -3.307 1.00 0.00 H new ATOM 749 N VAL A 54 -4.678 -1.221 -5.260 1.00 0.00 N ATOM 750 CA VAL A 54 -3.393 -1.677 -4.758 1.00 0.00 C ATOM 751 C VAL A 54 -2.990 -0.825 -3.553 1.00 0.00 C ATOM 752 O VAL A 54 -2.198 -1.259 -2.718 1.00 0.00 O ATOM 753 CB VAL A 54 -2.354 -1.652 -5.881 1.00 0.00 C ATOM 754 CG1 VAL A 54 -2.053 -0.218 -6.319 1.00 0.00 C ATOM 755 CG2 VAL A 54 -1.074 -2.377 -5.460 1.00 0.00 C ATOM 0 H VAL A 54 -4.630 -0.670 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.461 -2.710 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.773 -2.182 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.312 -0.230 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.968 0.252 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.665 0.347 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.352 -2.345 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.651 -1.889 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.305 -3.415 -5.221 1.00 0.00 H new ATOM 765 N ASP A 55 -3.554 0.373 -3.500 1.00 0.00 N ATOM 766 CA ASP A 55 -3.263 1.289 -2.410 1.00 0.00 C ATOM 767 C ASP A 55 -4.492 2.160 -2.140 1.00 0.00 C ATOM 768 O ASP A 55 -4.458 3.371 -2.353 1.00 0.00 O ATOM 769 CB ASP A 55 -2.097 2.214 -2.765 1.00 0.00 C ATOM 770 CG ASP A 55 -2.339 3.128 -3.968 1.00 0.00 C ATOM 771 OD1 ASP A 55 -2.947 2.634 -4.943 1.00 0.00 O ATOM 772 OD2 ASP A 55 -1.911 4.299 -3.887 1.00 0.00 O ATOM 0 H ASP A 55 -4.211 0.730 -4.194 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.000 0.697 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.867 2.833 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.216 1.603 -2.963 1.00 0.00 H new ATOM 777 N GLU A 56 -5.548 1.509 -1.674 1.00 0.00 N ATOM 778 CA GLU A 56 -6.785 2.208 -1.373 1.00 0.00 C ATOM 779 C GLU A 56 -6.496 3.471 -0.559 1.00 0.00 C ATOM 780 O GLU A 56 -5.479 3.552 0.128 1.00 0.00 O ATOM 781 CB GLU A 56 -7.766 1.294 -0.636 1.00 0.00 C ATOM 782 CG GLU A 56 -7.313 1.051 0.805 1.00 0.00 C ATOM 783 CD GLU A 56 -8.441 1.356 1.793 1.00 0.00 C ATOM 784 OE1 GLU A 56 -8.971 2.486 1.718 1.00 0.00 O ATOM 785 OE2 GLU A 56 -8.748 0.452 2.600 1.00 0.00 O ATOM 0 H GLU A 56 -5.572 0.505 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.251 2.503 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.759 1.744 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.846 0.342 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.994 0.015 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.449 1.677 1.029 1.00 0.00 H new ATOM 792 N PRO A 57 -7.434 4.450 -0.665 1.00 0.00 N ATOM 793 CA PRO A 57 -7.290 5.705 0.053 1.00 0.00 C ATOM 794 C PRO A 57 -7.597 5.524 1.541 1.00 0.00 C ATOM 795 O PRO A 57 -8.691 5.095 1.904 1.00 0.00 O ATOM 796 CB PRO A 57 -8.244 6.666 -0.638 1.00 0.00 C ATOM 797 CG PRO A 57 -9.222 5.797 -1.412 1.00 0.00 C ATOM 798 CD PRO A 57 -8.651 4.389 -1.468 1.00 0.00 C ATOM 0 HA PRO A 57 -6.270 6.090 0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.765 7.289 0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.706 7.338 -1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.198 5.794 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.368 6.190 -2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.355 3.660 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.434 4.090 -2.494 1.00 0.00 H new ATOM 806 N LEU A 58 -6.613 5.861 2.361 1.00 0.00 N ATOM 807 CA LEU A 58 -6.764 5.741 3.801 1.00 0.00 C ATOM 808 C LEU A 58 -6.449 7.087 4.457 1.00 0.00 C ATOM 809 O LEU A 58 -6.375 7.183 5.681 1.00 0.00 O ATOM 810 CB LEU A 58 -5.917 4.584 4.334 1.00 0.00 C ATOM 811 CG LEU A 58 -4.465 4.539 3.855 1.00 0.00 C ATOM 812 CD1 LEU A 58 -3.502 4.886 4.992 1.00 0.00 C ATOM 813 CD2 LEU A 58 -4.139 3.186 3.220 1.00 0.00 C ATOM 0 H LEU A 58 -5.707 6.217 2.056 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.795 5.495 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.918 4.631 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.400 3.648 4.055 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.336 5.296 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.476 4.847 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.718 5.890 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.624 4.169 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.101 3.181 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.289 2.394 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.794 3.018 2.365 1.00 0.00 H new ATOM 825 N SER A 59 -6.272 8.093 3.613 1.00 0.00 N ATOM 826 CA SER A 59 -5.966 9.429 4.095 1.00 0.00 C ATOM 827 C SER A 59 -6.524 10.475 3.127 1.00 0.00 C ATOM 828 O SER A 59 -5.882 10.812 2.134 1.00 0.00 O ATOM 829 CB SER A 59 -4.458 9.620 4.271 1.00 0.00 C ATOM 830 OG SER A 59 -4.034 9.325 5.599 1.00 0.00 O ATOM 0 H SER A 59 -6.335 8.010 2.598 1.00 0.00 H new ATOM 0 HA SER A 59 -6.437 9.557 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.927 8.977 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.192 10.648 4.025 1.00 0.00 H new ATOM 0 HG SER A 59 -4.595 8.612 5.971 1.00 0.00 H new ATOM 836 N GLY A 60 -7.714 10.960 3.452 1.00 0.00 N ATOM 837 CA GLY A 60 -8.366 11.960 2.624 1.00 0.00 C ATOM 838 C GLY A 60 -8.921 11.334 1.343 1.00 0.00 C ATOM 839 O GLY A 60 -8.501 10.249 0.945 1.00 0.00 O ATOM 0 H GLY A 60 -8.243 10.679 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.175 12.429 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.656 12.747 2.370 1.00 0.00 H new ATOM 843 N PRO A 61 -9.883 12.065 0.717 1.00 0.00 N ATOM 844 CA PRO A 61 -10.500 11.593 -0.511 1.00 0.00 C ATOM 845 C PRO A 61 -9.552 11.758 -1.700 1.00 0.00 C ATOM 846 O PRO A 61 -9.367 10.829 -2.485 1.00 0.00 O ATOM 847 CB PRO A 61 -11.775 12.410 -0.649 1.00 0.00 C ATOM 848 CG PRO A 61 -11.591 13.623 0.248 1.00 0.00 C ATOM 849 CD PRO A 61 -10.406 13.354 1.160 1.00 0.00 C ATOM 0 HA PRO A 61 -10.726 10.527 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.936 12.711 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.646 11.829 -0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.417 14.517 -0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.491 13.803 0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.653 14.138 1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.711 13.319 2.206 1.00 0.00 H new ATOM 857 N SER A 62 -8.976 12.947 -1.796 1.00 0.00 N ATOM 858 CA SER A 62 -8.051 13.246 -2.876 1.00 0.00 C ATOM 859 C SER A 62 -6.700 12.580 -2.608 1.00 0.00 C ATOM 860 O SER A 62 -6.147 12.708 -1.517 1.00 0.00 O ATOM 861 CB SER A 62 -7.874 14.756 -3.048 1.00 0.00 C ATOM 862 OG SER A 62 -6.731 15.073 -3.838 1.00 0.00 O ATOM 0 H SER A 62 -9.132 13.715 -1.143 1.00 0.00 H new ATOM 0 HA SER A 62 -8.467 12.849 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.765 15.175 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.779 15.224 -2.068 1.00 0.00 H new ATOM 0 HG SER A 62 -6.654 16.046 -3.926 1.00 0.00 H new ATOM 868 N SER A 63 -6.209 11.883 -3.622 1.00 0.00 N ATOM 869 CA SER A 63 -4.933 11.197 -3.509 1.00 0.00 C ATOM 870 C SER A 63 -3.848 12.178 -3.061 1.00 0.00 C ATOM 871 O SER A 63 -3.844 13.336 -3.477 1.00 0.00 O ATOM 872 CB SER A 63 -4.541 10.542 -4.835 1.00 0.00 C ATOM 873 OG SER A 63 -3.521 9.561 -4.665 1.00 0.00 O ATOM 0 H SER A 63 -6.671 11.778 -4.525 1.00 0.00 H new ATOM 0 HA SER A 63 -5.033 10.410 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.419 10.078 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.195 11.308 -5.529 1.00 0.00 H new ATOM 0 HG SER A 63 -3.300 9.165 -5.534 1.00 0.00 H new ATOM 879 N GLY A 64 -2.955 11.680 -2.219 1.00 0.00 N ATOM 880 CA GLY A 64 -1.868 12.498 -1.710 1.00 0.00 C ATOM 881 C GLY A 64 -2.355 13.423 -0.592 1.00 0.00 C ATOM 882 O GLY A 64 -2.170 13.127 0.587 1.00 0.00 O ATOM 0 H GLY A 64 -2.962 10.719 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.070 11.857 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.445 13.092 -2.520 1.00 0.00 H new TER 886 GLY A 64