USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 459 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 26 GLN : amide:sc= 1.37 K(o=1.6,f=-2.8) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -166:sc= 0.21 (180deg=-0.21) USER MOD Single : A 6 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 47:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ 145:sc= 0.901 (180deg=0.318) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 24 GLN : amide:sc=-0.00738 X(o=-0.0074,f=-0.0074) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00218 X(o=-0.0022,f=-0.25) USER MOD Single : A 49 SER OG : rot 70:sc= 1 USER MOD Single : A 52 SER OG : rot 75:sc= 0.487 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc=-0.00224 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -63:sc= 0.235 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -7.720 7.656 6.090 1.00 10.00 N ATOM 59 CA TRP A 5 -7.441 7.622 4.645 1.00 10.00 C ATOM 60 C TRP A 5 -6.020 8.069 4.262 1.00 10.00 C ATOM 61 O TRP A 5 -5.679 8.025 3.084 1.00 10.00 O ATOM 62 CB TRP A 5 -8.484 8.493 3.923 1.00 10.00 C ATOM 63 CG TRP A 5 -9.939 8.180 4.158 1.00 10.00 C ATOM 64 CD1 TRP A 5 -10.451 7.020 4.634 1.00 10.00 C ATOM 65 CD2 TRP A 5 -11.091 9.047 3.914 1.00 10.00 C ATOM 66 NE1 TRP A 5 -11.827 7.115 4.716 1.00 10.00 N ATOM 67 CE2 TRP A 5 -12.278 8.343 4.284 1.00 10.00 C ATOM 68 CE3 TRP A 5 -11.256 10.359 3.415 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -13.557 8.910 4.171 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -12.535 10.938 3.296 1.00 10.00 C ATOM 71 CH2 TRP A 5 -13.683 10.218 3.674 1.00 10.00 C ATOM 0 HA TRP A 5 -7.508 6.580 4.333 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -8.313 9.530 4.212 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -8.295 8.425 2.852 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -9.871 6.151 4.908 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -12.434 6.368 5.055 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -10.387 10.928 3.120 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -14.432 8.348 4.462 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -12.635 11.942 2.912 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -14.660 10.670 3.582 1.00 10.00 H new ATOM 82 N SER A 6 -5.187 8.506 5.212 1.00 10.00 N ATOM 83 CA SER A 6 -3.878 9.161 5.013 1.00 10.00 C ATOM 84 C SER A 6 -2.885 8.461 4.064 1.00 10.00 C ATOM 85 O SER A 6 -2.021 9.128 3.491 1.00 10.00 O ATOM 86 CB SER A 6 -3.210 9.376 6.377 1.00 10.00 C ATOM 87 OG SER A 6 -4.104 10.034 7.267 1.00 10.00 O ATOM 0 H SER A 6 -5.417 8.409 6.201 1.00 10.00 H new ATOM 0 HA SER A 6 -4.117 10.097 4.508 1.00 10.00 H new ATOM 0 HB2 SER A 6 -2.909 8.416 6.797 1.00 10.00 H new ATOM 0 HB3 SER A 6 -2.304 9.970 6.256 1.00 10.00 H new ATOM 0 HG SER A 6 -3.666 10.164 8.134 1.00 10.00 H new ATOM 93 N GLY A 7 -3.017 7.147 3.844 1.00 10.00 N ATOM 94 CA GLY A 7 -2.218 6.369 2.880 1.00 10.00 C ATOM 95 C GLY A 7 -2.698 6.437 1.416 1.00 10.00 C ATOM 96 O GLY A 7 -2.070 5.839 0.540 1.00 10.00 O ATOM 0 H GLY A 7 -3.700 6.577 4.343 1.00 10.00 H new ATOM 0 HA2 GLY A 7 -1.186 6.719 2.923 1.00 10.00 H new ATOM 0 HA3 GLY A 7 -2.214 5.326 3.195 1.00 10.00 H new ATOM 100 N TYR A 8 -3.794 7.155 1.142 1.00 10.00 N ATOM 101 CA TYR A 8 -4.438 7.308 -0.166 1.00 10.00 C ATOM 102 C TYR A 8 -4.983 8.730 -0.422 1.00 10.00 C ATOM 103 O TYR A 8 -4.975 9.224 -1.551 1.00 10.00 O ATOM 104 CB TYR A 8 -5.574 6.275 -0.284 1.00 10.00 C ATOM 105 CG TYR A 8 -5.755 5.749 -1.696 1.00 10.00 C ATOM 106 CD1 TYR A 8 -4.817 4.842 -2.226 1.00 10.00 C ATOM 107 CD2 TYR A 8 -6.840 6.180 -2.486 1.00 10.00 C ATOM 108 CE1 TYR A 8 -4.960 4.364 -3.543 1.00 10.00 C ATOM 109 CE2 TYR A 8 -6.987 5.704 -3.805 1.00 10.00 C ATOM 110 CZ TYR A 8 -6.046 4.794 -4.337 1.00 10.00 C ATOM 111 OH TYR A 8 -6.177 4.328 -5.610 1.00 10.00 O ATOM 0 H TYR A 8 -4.283 7.675 1.871 1.00 10.00 H new ATOM 0 HA TYR A 8 -3.676 7.138 -0.926 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -5.368 5.439 0.385 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -6.507 6.729 0.051 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -3.986 4.512 -1.621 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -7.560 6.876 -2.080 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -4.239 3.668 -3.946 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -7.819 6.035 -4.409 1.00 10.00 H new ATOM 0 HH TYR A 8 -6.976 4.719 -6.021 1.00 10.00 H new ATOM 121 N LEU A 9 -5.402 9.406 0.653 1.00 10.00 N ATOM 122 CA LEU A 9 -5.885 10.787 0.736 1.00 10.00 C ATOM 123 C LEU A 9 -5.061 11.777 -0.090 1.00 10.00 C ATOM 124 O LEU A 9 -5.609 12.562 -0.862 1.00 10.00 O ATOM 125 CB LEU A 9 -5.850 11.151 2.240 1.00 10.00 C ATOM 126 CG LEU A 9 -6.116 12.621 2.606 1.00 10.00 C ATOM 127 CD1 LEU A 9 -7.546 13.009 2.269 1.00 10.00 C ATOM 128 CD2 LEU A 9 -5.895 12.836 4.102 1.00 10.00 C ATOM 0 H LEU A 9 -5.412 8.959 1.570 1.00 10.00 H new ATOM 0 HA LEU A 9 -6.888 10.855 0.314 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -6.586 10.534 2.756 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -4.872 10.875 2.633 1.00 10.00 H new ATOM 0 HG LEU A 9 -5.427 13.240 2.031 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -7.712 14.053 2.536 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -7.717 12.876 1.201 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -8.236 12.377 2.828 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -6.086 13.880 4.352 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -6.576 12.198 4.666 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -4.866 12.584 4.358 1.00 10.00 H new ATOM 140 N ASP A 10 -3.741 11.721 0.061 1.00 10.00 N ATOM 141 CA ASP A 10 -2.786 12.700 -0.473 1.00 10.00 C ATOM 142 C ASP A 10 -2.560 12.602 -2.005 1.00 10.00 C ATOM 143 O ASP A 10 -1.619 13.180 -2.547 1.00 10.00 O ATOM 144 CB ASP A 10 -1.479 12.544 0.327 1.00 10.00 C ATOM 145 CG ASP A 10 -0.475 13.695 0.119 1.00 10.00 C ATOM 146 OD1 ASP A 10 -0.848 14.872 0.341 1.00 10.00 O ATOM 147 OD2 ASP A 10 0.709 13.420 -0.194 1.00 10.00 O ATOM 0 H ASP A 10 -3.286 10.968 0.576 1.00 10.00 H new ATOM 0 HA ASP A 10 -3.200 13.701 -0.348 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -1.721 12.474 1.388 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -1.003 11.605 0.045 1.00 10.00 H new ATOM 152 N ASP A 11 -3.428 11.879 -2.720 1.00 10.00 N ATOM 153 CA ASP A 11 -3.503 11.845 -4.191 1.00 10.00 C ATOM 154 C ASP A 11 -4.958 11.839 -4.724 1.00 10.00 C ATOM 155 O ASP A 11 -5.194 11.735 -5.928 1.00 10.00 O ATOM 156 CB ASP A 11 -2.694 10.635 -4.690 1.00 10.00 C ATOM 157 CG ASP A 11 -2.433 10.654 -6.207 1.00 10.00 C ATOM 158 OD1 ASP A 11 -1.905 11.667 -6.725 1.00 10.00 O ATOM 159 OD2 ASP A 11 -2.697 9.627 -6.882 1.00 10.00 O ATOM 0 H ASP A 11 -4.124 11.279 -2.278 1.00 10.00 H new ATOM 0 HA ASP A 11 -3.069 12.764 -4.586 1.00 10.00 H new ATOM 0 HB2 ASP A 11 -1.739 10.605 -4.165 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -3.228 9.720 -4.433 1.00 10.00 H new ATOM 164 N VAL A 12 -5.939 12.007 -3.828 1.00 10.00 N ATOM 165 CA VAL A 12 -7.373 12.145 -4.102 1.00 10.00 C ATOM 166 C VAL A 12 -7.860 13.522 -3.663 1.00 10.00 C ATOM 167 O VAL A 12 -8.358 14.309 -4.467 1.00 10.00 O ATOM 168 CB VAL A 12 -8.161 11.032 -3.376 1.00 10.00 C ATOM 169 CG1 VAL A 12 -9.679 11.210 -3.490 1.00 10.00 C ATOM 170 CG2 VAL A 12 -7.772 9.652 -3.908 1.00 10.00 C ATOM 0 H VAL A 12 -5.738 12.053 -2.829 1.00 10.00 H new ATOM 0 HA VAL A 12 -7.542 12.045 -5.174 1.00 10.00 H new ATOM 0 HB VAL A 12 -7.894 11.110 -2.322 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -10.181 10.400 -2.962 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -9.968 12.164 -3.049 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -9.969 11.193 -4.540 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -8.340 8.885 -3.381 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -7.992 9.598 -4.974 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -6.706 9.488 -3.748 1.00 10.00 H new ATOM 180 N SER A 13 -7.638 13.838 -2.389 1.00 10.00 N ATOM 181 CA SER A 13 -7.848 15.149 -1.802 1.00 10.00 C ATOM 182 C SER A 13 -6.806 16.144 -2.261 1.00 10.00 C ATOM 183 O SER A 13 -7.136 17.249 -2.677 1.00 10.00 O ATOM 184 CB SER A 13 -7.785 15.014 -0.284 1.00 10.00 C ATOM 185 OG SER A 13 -7.933 16.255 0.381 1.00 10.00 O ATOM 0 H SER A 13 -7.293 13.156 -1.714 1.00 10.00 H new ATOM 0 HA SER A 13 -8.822 15.520 -2.122 1.00 10.00 H new ATOM 0 HB2 SER A 13 -8.568 14.332 0.049 1.00 10.00 H new ATOM 0 HB3 SER A 13 -6.832 14.567 -0.002 1.00 10.00 H new ATOM 0 HG SER A 13 -8.693 16.742 -0.001 1.00 10.00 H new ATOM 191 N ALA A 14 -5.535 15.754 -2.279 1.00 10.00 N ATOM 192 CA ALA A 14 -4.504 16.687 -2.699 1.00 10.00 C ATOM 193 C ALA A 14 -4.621 17.076 -4.190 1.00 10.00 C ATOM 194 O ALA A 14 -4.315 18.203 -4.582 1.00 10.00 O ATOM 195 CB ALA A 14 -3.142 16.138 -2.356 1.00 10.00 C ATOM 0 H ALA A 14 -5.204 14.826 -2.016 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.649 17.616 -2.147 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -2.375 16.844 -2.674 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -3.071 15.987 -1.279 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -2.994 15.186 -2.867 1.00 10.00 H new ATOM 201 N LYS A 15 -5.144 16.146 -5.005 1.00 10.00 N ATOM 202 CA LYS A 15 -5.558 16.332 -6.400 1.00 10.00 C ATOM 203 C LYS A 15 -6.726 17.326 -6.560 1.00 10.00 C ATOM 204 O LYS A 15 -6.912 17.874 -7.647 1.00 10.00 O ATOM 205 CB LYS A 15 -5.852 14.936 -6.979 1.00 10.00 C ATOM 206 CG LYS A 15 -6.141 14.929 -8.485 1.00 10.00 C ATOM 207 CD LYS A 15 -6.060 13.507 -9.051 1.00 10.00 C ATOM 208 CE LYS A 15 -6.344 13.534 -10.556 1.00 10.00 C ATOM 209 NZ LYS A 15 -6.140 12.197 -11.175 1.00 10.00 N ATOM 0 H LYS A 15 -5.297 15.189 -4.687 1.00 10.00 H new ATOM 0 HA LYS A 15 -4.755 16.801 -6.968 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -5.000 14.286 -6.781 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -6.707 14.510 -6.454 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -7.132 15.343 -8.671 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -5.426 15.571 -9.000 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -5.072 13.087 -8.865 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.780 12.863 -8.547 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -7.369 13.863 -10.728 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -5.691 14.262 -11.037 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -6.834 12.057 -11.936 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -5.179 12.139 -11.568 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -6.264 11.458 -10.454 1.00 10.00 H new ATOM 223 N PHE A 16 -7.474 17.600 -5.484 1.00 10.00 N ATOM 224 CA PHE A 16 -8.564 18.571 -5.404 1.00 10.00 C ATOM 225 C PHE A 16 -8.211 19.874 -4.679 1.00 10.00 C ATOM 226 O PHE A 16 -8.802 20.912 -4.954 1.00 10.00 O ATOM 227 CB PHE A 16 -9.851 17.879 -4.893 1.00 10.00 C ATOM 228 CG PHE A 16 -10.174 17.516 -3.441 1.00 10.00 C ATOM 229 CD1 PHE A 16 -9.800 18.287 -2.319 1.00 10.00 C ATOM 230 CD2 PHE A 16 -11.004 16.393 -3.232 1.00 10.00 C ATOM 231 CE1 PHE A 16 -10.225 17.929 -1.025 1.00 10.00 C ATOM 232 CE2 PHE A 16 -11.423 16.027 -1.940 1.00 10.00 C ATOM 233 CZ PHE A 16 -11.020 16.788 -0.832 1.00 10.00 C ATOM 0 H PHE A 16 -7.323 17.120 -4.597 1.00 10.00 H new ATOM 0 HA PHE A 16 -8.760 18.924 -6.417 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -10.674 18.511 -5.226 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -9.921 16.945 -5.450 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -9.181 19.161 -2.455 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -11.323 15.804 -4.079 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -9.938 18.534 -0.178 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -12.054 15.162 -1.801 1.00 10.00 H new ATOM 0 HZ PHE A 16 -11.320 16.497 0.164 1.00 10.00 H new ATOM 243 N ASP A 17 -7.202 19.838 -3.813 1.00 10.00 N ATOM 244 CA ASP A 17 -6.833 20.879 -2.841 1.00 10.00 C ATOM 245 C ASP A 17 -6.906 22.349 -3.281 1.00 10.00 C ATOM 246 O ASP A 17 -7.453 23.173 -2.550 1.00 10.00 O ATOM 247 CB ASP A 17 -5.458 20.545 -2.245 1.00 10.00 C ATOM 248 CG ASP A 17 -5.045 21.529 -1.136 1.00 10.00 C ATOM 249 OD1 ASP A 17 -5.550 21.401 0.006 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.195 22.412 -1.397 1.00 10.00 O ATOM 0 H ASP A 17 -6.577 19.033 -3.763 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.628 20.837 -2.097 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.476 19.533 -1.841 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.709 20.559 -3.037 1.00 10.00 H new ATOM 255 N THR A 18 -6.392 22.702 -4.458 1.00 10.00 N ATOM 256 CA THR A 18 -6.385 24.094 -4.932 1.00 10.00 C ATOM 257 C THR A 18 -7.673 24.498 -5.670 1.00 10.00 C ATOM 258 O THR A 18 -8.118 25.643 -5.577 1.00 10.00 O ATOM 259 CB THR A 18 -5.121 24.378 -5.758 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.814 25.756 -5.729 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.261 23.962 -7.218 1.00 10.00 C ATOM 0 H THR A 18 -5.970 22.040 -5.109 1.00 10.00 H new ATOM 0 HA THR A 18 -6.360 24.730 -4.047 1.00 10.00 H new ATOM 0 HB THR A 18 -4.326 23.787 -5.303 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.006 25.922 -6.258 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.337 24.187 -7.751 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.460 22.892 -7.274 1.00 10.00 H new ATOM 0 HG23 THR A 18 -6.086 24.509 -7.675 1.00 10.00 H new ATOM 269 N GLY A 19 -8.323 23.552 -6.361 1.00 10.00 N ATOM 270 CA GLY A 19 -9.591 23.779 -7.066 1.00 10.00 C ATOM 271 C GLY A 19 -10.770 23.806 -6.096 1.00 10.00 C ATOM 272 O GLY A 19 -11.620 24.695 -6.177 1.00 10.00 O ATOM 0 H GLY A 19 -7.978 22.596 -6.447 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.543 24.723 -7.609 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.744 22.993 -7.805 1.00 10.00 H new ATOM 292 N ASP A 21 -10.383 24.769 -3.091 1.00 10.00 N ATOM 293 CA ASP A 21 -10.142 26.009 -2.384 1.00 10.00 C ATOM 294 C ASP A 21 -10.647 27.247 -3.123 1.00 10.00 C ATOM 295 O ASP A 21 -11.038 28.200 -2.461 1.00 10.00 O ATOM 296 CB ASP A 21 -8.676 26.078 -1.979 1.00 10.00 C ATOM 297 CG ASP A 21 -8.232 27.456 -1.459 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.480 27.757 -0.267 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.604 28.224 -2.226 1.00 10.00 O ATOM 0 HA ASP A 21 -10.742 26.010 -1.474 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.488 25.332 -1.206 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.060 25.810 -2.837 1.00 10.00 H new ATOM 304 N ASN A 22 -10.765 27.235 -4.452 1.00 10.00 N ATOM 305 CA ASN A 22 -11.460 28.305 -5.162 1.00 10.00 C ATOM 306 C ASN A 22 -12.967 28.298 -4.880 1.00 10.00 C ATOM 307 O ASN A 22 -13.635 29.331 -4.989 1.00 10.00 O ATOM 308 CB ASN A 22 -11.288 28.140 -6.676 1.00 10.00 C ATOM 309 CG ASN A 22 -9.861 28.314 -7.172 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.076 29.097 -6.655 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.486 27.610 -8.218 1.00 10.00 N ATOM 0 H ASN A 22 -10.391 26.501 -5.053 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.023 29.240 -4.811 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.641 27.149 -6.963 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -11.926 28.864 -7.182 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.544 27.718 -8.595 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.137 26.956 -8.652 1.00 10.00 H new ATOM 318 N LEU A 23 -13.518 27.128 -4.559 1.00 10.00 N ATOM 319 CA LEU A 23 -14.865 26.985 -4.059 1.00 10.00 C ATOM 320 C LEU A 23 -14.976 27.285 -2.558 1.00 10.00 C ATOM 321 O LEU A 23 -15.847 28.041 -2.147 1.00 10.00 O ATOM 322 CB LEU A 23 -15.452 25.646 -4.515 1.00 10.00 C ATOM 323 CG LEU A 23 -16.789 25.852 -5.259 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.802 26.594 -4.410 1.00 10.00 C ATOM 325 CD2 LEU A 23 -16.877 26.569 -6.605 1.00 10.00 C ATOM 0 H LEU A 23 -13.022 26.241 -4.645 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.498 27.754 -4.502 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.743 25.138 -5.168 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.608 25.000 -3.651 1.00 10.00 H new ATOM 0 HG LEU A 23 -16.968 24.797 -5.465 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.728 26.717 -4.972 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.002 26.025 -3.502 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.406 27.574 -4.144 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -17.915 26.595 -6.936 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.504 27.588 -6.500 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.275 26.036 -7.341 1.00 10.00 H new ATOM 337 N GLN A 24 -14.042 26.782 -1.754 1.00 10.00 N ATOM 338 CA GLN A 24 -13.914 27.003 -0.318 1.00 10.00 C ATOM 339 C GLN A 24 -13.770 28.482 0.011 1.00 10.00 C ATOM 340 O GLN A 24 -14.455 28.961 0.899 1.00 10.00 O ATOM 341 CB GLN A 24 -12.681 26.267 0.217 1.00 10.00 C ATOM 342 CG GLN A 24 -12.670 26.078 1.728 1.00 10.00 C ATOM 343 CD GLN A 24 -13.680 25.047 2.225 1.00 10.00 C ATOM 344 OE1 GLN A 24 -13.598 23.862 1.934 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.663 25.451 3.002 1.00 10.00 N ATOM 0 H GLN A 24 -13.308 26.171 -2.112 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.822 26.623 0.151 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.621 25.289 -0.260 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.788 26.819 -0.075 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.671 25.774 2.040 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.876 27.035 2.207 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.743 26.437 3.252 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.345 24.778 3.354 1.00 10.00 H new ATOM 354 N THR A 25 -12.911 29.218 -0.696 1.00 10.00 N ATOM 355 CA THR A 25 -12.721 30.659 -0.533 1.00 10.00 C ATOM 356 C THR A 25 -14.049 31.374 -0.729 1.00 10.00 C ATOM 357 O THR A 25 -14.506 32.113 0.132 1.00 10.00 O ATOM 358 CB THR A 25 -11.590 31.162 -1.448 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.134 32.420 -1.003 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.909 31.260 -2.934 1.00 10.00 C ATOM 0 H THR A 25 -12.312 28.816 -1.417 1.00 10.00 H new ATOM 0 HA THR A 25 -12.395 30.888 0.482 1.00 10.00 H new ATOM 0 HB THR A 25 -10.827 30.388 -1.367 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.413 32.733 -1.589 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.034 31.626 -3.471 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.182 30.275 -3.313 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.740 31.949 -3.083 1.00 10.00 H new ATOM 368 N GLN A 26 -14.759 30.995 -1.786 1.00 10.00 N ATOM 369 CA GLN A 26 -16.117 31.429 -2.084 1.00 10.00 C ATOM 370 C GLN A 26 -17.140 31.126 -0.979 1.00 10.00 C ATOM 371 O GLN A 26 -17.842 32.039 -0.540 1.00 10.00 O ATOM 372 CB GLN A 26 -16.529 30.815 -3.435 1.00 10.00 C ATOM 373 CG GLN A 26 -16.615 31.876 -4.536 1.00 10.00 C ATOM 374 CD GLN A 26 -16.854 31.260 -5.910 1.00 10.00 C ATOM 375 OE1 GLN A 26 -17.906 31.429 -6.514 1.00 10.00 O ATOM 376 NE2 GLN A 26 -15.923 30.498 -6.446 1.00 10.00 N ATOM 0 H GLN A 26 -14.389 30.352 -2.486 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.116 32.518 -2.141 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.808 30.050 -3.722 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.494 30.320 -3.331 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.422 32.572 -4.306 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.691 32.454 -4.554 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.042 30.348 -5.955 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.083 30.058 -7.352 1.00 10.00 H new ATOM 385 N VAL A 27 -17.234 29.883 -0.490 1.00 10.00 N ATOM 386 CA VAL A 27 -18.153 29.548 0.604 1.00 10.00 C ATOM 387 C VAL A 27 -17.758 30.259 1.889 1.00 10.00 C ATOM 388 O VAL A 27 -18.602 30.723 2.644 1.00 10.00 O ATOM 389 CB VAL A 27 -18.314 28.044 0.908 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.240 27.163 -0.338 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.382 27.402 1.938 1.00 10.00 C ATOM 0 H VAL A 27 -16.686 29.095 -0.834 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.120 29.893 0.237 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.309 28.072 1.352 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.361 26.118 -0.052 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.034 27.444 -1.030 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.273 27.298 -0.822 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.623 26.344 2.037 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.348 27.510 1.610 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.510 27.895 2.902 1.00 10.00 H new ATOM 401 N THR A 28 -16.459 30.370 2.136 1.00 10.00 N ATOM 402 CA THR A 28 -15.920 31.041 3.302 1.00 10.00 C ATOM 403 C THR A 28 -16.188 32.526 3.245 1.00 10.00 C ATOM 404 O THR A 28 -16.284 33.165 4.278 1.00 10.00 O ATOM 405 CB THR A 28 -14.415 30.881 3.446 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.024 29.525 3.435 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.955 31.452 4.770 1.00 10.00 C ATOM 0 H THR A 28 -15.742 29.988 1.519 1.00 10.00 H new ATOM 0 HA THR A 28 -16.419 30.571 4.149 1.00 10.00 H new ATOM 0 HB THR A 28 -13.968 31.404 2.601 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.839 29.245 2.514 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.876 31.332 4.863 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.208 32.511 4.817 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.450 30.924 5.585 1.00 10.00 H new ATOM 415 N GLU A 29 -16.314 33.117 2.067 1.00 10.00 N ATOM 416 CA GLU A 29 -16.683 34.507 1.969 1.00 10.00 C ATOM 417 C GLU A 29 -18.198 34.703 2.180 1.00 10.00 C ATOM 418 O GLU A 29 -18.618 35.741 2.679 1.00 10.00 O ATOM 419 CB GLU A 29 -16.158 35.111 0.686 1.00 10.00 C ATOM 420 CG GLU A 29 -14.637 35.298 0.745 1.00 10.00 C ATOM 421 CD GLU A 29 -14.109 36.009 -0.517 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.156 35.421 -1.625 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.646 37.171 -0.410 1.00 10.00 O ATOM 0 H GLU A 29 -16.165 32.651 1.172 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.206 35.058 2.779 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.416 34.467 -0.155 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.639 36.073 0.510 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.374 35.879 1.629 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.153 34.327 0.847 1.00 10.00 H new ATOM 430 N ALA A 30 -19.041 33.713 1.863 1.00 10.00 N ATOM 431 CA ALA A 30 -20.448 33.707 2.269 1.00 10.00 C ATOM 432 C ALA A 30 -20.534 33.581 3.797 1.00 10.00 C ATOM 433 O ALA A 30 -21.311 34.261 4.466 1.00 10.00 O ATOM 434 CB ALA A 30 -21.173 32.536 1.603 1.00 10.00 C ATOM 0 H ALA A 30 -18.766 32.896 1.319 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.923 34.637 1.957 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.220 32.535 1.908 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.111 32.638 0.520 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.706 31.599 1.906 1.00 10.00 H new ATOM 440 N LEU A 31 -19.662 32.749 4.356 1.00 10.00 N ATOM 441 CA LEU A 31 -19.416 32.623 5.772 1.00 10.00 C ATOM 442 C LEU A 31 -18.764 33.867 6.390 1.00 10.00 C ATOM 443 O LEU A 31 -19.028 34.157 7.541 1.00 10.00 O ATOM 444 CB LEU A 31 -18.528 31.406 5.978 1.00 10.00 C ATOM 445 CG LEU A 31 -18.359 31.042 7.448 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.552 30.231 7.934 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.051 30.284 7.565 1.00 10.00 C ATOM 0 H LEU A 31 -19.085 32.118 3.800 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.375 32.511 6.279 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.954 30.556 5.444 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.548 31.598 5.541 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.323 31.928 8.082 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.416 29.979 8.986 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.463 30.818 7.816 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.632 29.315 7.349 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.886 30.001 8.605 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.094 29.387 6.947 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.231 30.918 7.227 1.00 10.00 H new ATOM 459 N ASP A 32 -17.960 34.650 5.676 1.00 10.00 N ATOM 460 CA ASP A 32 -17.439 35.932 6.147 1.00 10.00 C ATOM 461 C ASP A 32 -18.613 36.865 6.480 1.00 10.00 C ATOM 462 O ASP A 32 -18.560 37.626 7.448 1.00 10.00 O ATOM 463 CB ASP A 32 -16.451 36.516 5.119 1.00 10.00 C ATOM 464 CG ASP A 32 -16.067 37.973 5.425 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.251 38.205 6.349 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.561 38.883 4.716 1.00 10.00 O ATOM 0 H ASP A 32 -17.646 34.408 4.736 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.868 35.802 7.067 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.549 35.904 5.099 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.894 36.463 4.125 1.00 10.00 H new ATOM 471 N LYS A 33 -19.725 36.711 5.745 1.00 10.00 N ATOM 472 CA LYS A 33 -21.001 37.331 6.032 1.00 10.00 C ATOM 473 C LYS A 33 -21.710 36.630 7.197 1.00 10.00 C ATOM 474 O LYS A 33 -22.276 37.278 8.073 1.00 10.00 O ATOM 475 CB LYS A 33 -21.893 37.409 4.792 1.00 10.00 C ATOM 476 CG LYS A 33 -21.291 37.551 3.390 1.00 10.00 C ATOM 477 CD LYS A 33 -20.059 38.451 3.251 1.00 10.00 C ATOM 478 CE LYS A 33 -19.719 38.649 1.776 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.506 39.494 1.620 1.00 10.00 N ATOM 0 H LYS A 33 -19.748 36.128 4.908 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.799 38.357 6.339 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.508 36.509 4.785 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.566 38.254 4.937 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -21.026 36.556 3.033 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.066 37.932 2.725 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.249 39.416 3.721 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.212 38.004 3.771 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.556 37.681 1.303 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.561 39.116 1.264 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.295 39.615 0.609 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.674 40.425 2.052 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.700 39.034 2.090 1.00 10.00 H new ATOM 493 N LEU A 34 -21.719 35.296 7.213 1.00 10.00 N ATOM 494 CA LEU A 34 -22.448 34.498 8.209 1.00 10.00 C ATOM 495 C LEU A 34 -21.772 34.552 9.590 1.00 10.00 C ATOM 496 O LEU A 34 -22.367 34.277 10.617 1.00 10.00 O ATOM 497 CB LEU A 34 -22.666 33.080 7.677 1.00 10.00 C ATOM 498 CG LEU A 34 -24.093 32.532 7.870 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.261 31.321 7.005 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.556 32.025 9.218 1.00 10.00 C ATOM 0 H LEU A 34 -21.216 34.730 6.529 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.435 34.932 8.368 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.426 33.065 6.614 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.964 32.409 8.172 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.672 33.430 7.655 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.267 30.921 7.131 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.107 31.595 5.961 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.531 30.564 7.293 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.588 31.683 9.143 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.922 31.196 9.533 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.492 32.829 9.951 1.00 10.00 H new ATOM 512 N ALA A 35 -20.501 34.912 9.627 1.00 10.00 N ATOM 513 CA ALA A 35 -19.749 35.238 10.816 1.00 10.00 C ATOM 514 C ALA A 35 -20.042 36.710 11.262 1.00 10.00 C ATOM 515 O ALA A 35 -19.877 37.046 12.436 1.00 10.00 O ATOM 516 CB ALA A 35 -18.283 34.898 10.497 1.00 10.00 C ATOM 0 H ALA A 35 -19.939 34.987 8.779 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.037 34.658 11.693 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.660 35.124 11.363 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.199 33.838 10.257 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.949 35.491 9.645 1.00 10.00 H new ATOM 522 N ALA A 36 -20.493 37.583 10.335 1.00 10.00 N ATOM 523 CA ALA A 36 -20.881 38.996 10.533 1.00 10.00 C ATOM 524 C ALA A 36 -22.305 39.246 11.096 1.00 10.00 C ATOM 525 O ALA A 36 -22.462 39.953 12.096 1.00 10.00 O ATOM 526 CB ALA A 36 -20.671 39.764 9.208 1.00 10.00 C ATOM 0 H ALA A 36 -20.603 37.299 9.362 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.228 39.370 11.322 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.954 40.808 9.344 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.622 39.708 8.917 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.288 39.319 8.428 1.00 10.00 H new ATOM 532 N LYS A 37 -23.340 38.677 10.460 1.00 10.00 N ATOM 533 CA LYS A 37 -24.793 38.841 10.763 1.00 10.00 C ATOM 534 C LYS A 37 -25.509 37.477 10.621 1.00 10.00 C ATOM 535 O LYS A 37 -26.545 37.369 9.967 1.00 10.00 O ATOM 536 CB LYS A 37 -25.345 39.822 9.725 1.00 10.00 C ATOM 537 CG LYS A 37 -26.698 40.470 10.052 1.00 10.00 C ATOM 538 CD LYS A 37 -27.284 41.112 8.782 1.00 10.00 C ATOM 539 CE LYS A 37 -26.555 42.381 8.311 1.00 10.00 C ATOM 540 NZ LYS A 37 -26.770 43.532 9.229 1.00 10.00 N ATOM 0 H LYS A 37 -23.189 38.049 9.670 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.949 39.207 11.778 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.612 40.616 9.581 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.438 39.297 8.774 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.386 39.721 10.444 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.573 41.225 10.829 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -27.264 40.377 7.977 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -28.330 41.357 8.964 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -25.487 42.176 8.234 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -26.902 42.646 7.312 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -26.259 44.363 8.869 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -27.786 43.747 9.284 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -26.415 43.291 10.177 1.00 10.00 H new ATOM 554 N PRO A 38 -24.974 36.418 11.234 1.00 10.00 N ATOM 555 CA PRO A 38 -25.321 35.035 10.983 1.00 10.00 C ATOM 556 C PRO A 38 -26.590 34.597 10.267 1.00 10.00 C ATOM 557 O PRO A 38 -26.564 34.425 9.051 1.00 10.00 O ATOM 558 CB PRO A 38 -24.907 34.205 12.192 1.00 10.00 C ATOM 559 CG PRO A 38 -24.120 35.167 13.088 1.00 10.00 C ATOM 560 CD PRO A 38 -24.004 36.478 12.310 1.00 10.00 C ATOM 0 HA PRO A 38 -24.739 34.814 10.088 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.777 33.805 12.712 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.295 33.354 11.894 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.633 35.322 14.037 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.134 34.764 13.320 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.201 37.331 12.960 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -22.996 36.604 11.914 1.00 10.00 H new ATOM 568 N SER A 39 -27.687 34.354 10.969 1.00 10.00 N ATOM 569 CA SER A 39 -28.852 33.725 10.370 1.00 10.00 C ATOM 570 C SER A 39 -29.673 34.666 9.479 1.00 10.00 C ATOM 571 O SER A 39 -30.780 34.298 9.088 1.00 10.00 O ATOM 572 CB SER A 39 -29.653 32.954 11.409 1.00 10.00 C ATOM 573 OG SER A 39 -30.156 33.809 12.427 1.00 10.00 O ATOM 0 H SER A 39 -27.794 34.584 11.957 1.00 10.00 H new ATOM 0 HA SER A 39 -28.493 32.980 9.660 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.482 32.441 10.922 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.023 32.186 11.858 1.00 10.00 H new ATOM 0 HG SER A 39 -30.666 33.280 13.076 1.00 10.00 H new ATOM 579 N ASP A 40 -29.145 35.866 9.165 1.00 10.00 N ATOM 580 CA ASP A 40 -29.663 36.767 8.127 1.00 10.00 C ATOM 581 C ASP A 40 -29.851 35.904 6.873 1.00 10.00 C ATOM 582 O ASP A 40 -28.870 35.506 6.249 1.00 10.00 O ATOM 583 CB ASP A 40 -28.741 37.970 7.882 1.00 10.00 C ATOM 584 CG ASP A 40 -29.262 38.804 6.700 1.00 10.00 C ATOM 585 OD1 ASP A 40 -30.195 39.614 6.910 1.00 10.00 O ATOM 586 OD2 ASP A 40 -28.772 38.626 5.560 1.00 10.00 O ATOM 0 H ASP A 40 -28.325 36.241 9.642 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.608 37.214 8.435 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.691 38.588 8.779 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.728 37.625 7.675 1.00 10.00 H new ATOM 591 N PRO A 41 -31.082 35.560 6.481 1.00 10.00 N ATOM 592 CA PRO A 41 -31.276 34.525 5.481 1.00 10.00 C ATOM 593 C PRO A 41 -30.764 34.843 4.086 1.00 10.00 C ATOM 594 O PRO A 41 -30.448 33.922 3.340 1.00 10.00 O ATOM 595 CB PRO A 41 -32.772 34.250 5.497 1.00 10.00 C ATOM 596 CG PRO A 41 -33.375 35.581 5.953 1.00 10.00 C ATOM 597 CD PRO A 41 -32.346 36.100 6.948 1.00 10.00 C ATOM 0 HA PRO A 41 -30.673 33.654 5.738 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.137 33.960 4.512 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.024 33.440 6.181 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.512 36.269 5.119 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.352 35.444 6.417 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.328 37.190 6.968 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.570 35.766 7.961 1.00 10.00 H new ATOM 605 N ALA A 42 -30.639 36.115 3.723 1.00 10.00 N ATOM 606 CA ALA A 42 -30.109 36.506 2.436 1.00 10.00 C ATOM 607 C ALA A 42 -28.599 36.204 2.300 1.00 10.00 C ATOM 608 O ALA A 42 -28.175 35.696 1.258 1.00 10.00 O ATOM 609 CB ALA A 42 -30.475 37.978 2.243 1.00 10.00 C ATOM 0 H ALA A 42 -30.905 36.899 4.318 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.550 35.916 1.633 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.096 38.324 1.281 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.559 38.090 2.267 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -30.031 38.571 3.043 1.00 10.00 H new ATOM 615 N LEU A 43 -27.793 36.427 3.350 1.00 10.00 N ATOM 616 CA LEU A 43 -26.395 35.988 3.405 1.00 10.00 C ATOM 617 C LEU A 43 -26.245 34.501 3.775 1.00 10.00 C ATOM 618 O LEU A 43 -25.432 33.806 3.166 1.00 10.00 O ATOM 619 CB LEU A 43 -25.598 36.942 4.314 1.00 10.00 C ATOM 620 CG LEU A 43 -25.768 36.748 5.818 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.854 35.682 6.363 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.284 37.930 6.636 1.00 10.00 C ATOM 0 H LEU A 43 -28.098 36.921 4.189 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.968 36.047 2.404 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.540 36.838 4.074 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.882 37.965 4.067 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.835 36.544 5.905 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.012 35.581 7.437 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.070 34.732 5.874 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.817 35.960 6.174 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.434 37.725 7.696 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.224 38.095 6.445 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.846 38.821 6.356 1.00 10.00 H new ATOM 634 N LEU A 44 -27.012 33.991 4.750 1.00 10.00 N ATOM 635 CA LEU A 44 -26.941 32.588 5.178 1.00 10.00 C ATOM 636 C LEU A 44 -27.339 31.706 4.011 1.00 10.00 C ATOM 637 O LEU A 44 -26.599 30.788 3.718 1.00 10.00 O ATOM 638 CB LEU A 44 -27.697 32.371 6.519 1.00 10.00 C ATOM 639 CG LEU A 44 -28.563 31.129 6.804 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.664 30.804 5.796 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.738 29.868 6.945 1.00 10.00 C ATOM 0 H LEU A 44 -27.700 34.542 5.264 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.924 32.289 5.431 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.946 32.411 7.308 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.345 33.237 6.652 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.043 31.427 7.737 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.197 29.908 6.115 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.362 31.639 5.737 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.220 30.632 4.815 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.397 29.023 7.145 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.187 29.688 6.022 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.035 29.983 7.770 1.00 10.00 H new ATOM 653 N ALA A 45 -28.388 31.981 3.239 1.00 10.00 N ATOM 654 CA ALA A 45 -28.717 31.095 2.137 1.00 10.00 C ATOM 655 C ALA A 45 -27.741 31.232 0.958 1.00 10.00 C ATOM 656 O ALA A 45 -27.627 30.302 0.161 1.00 10.00 O ATOM 657 CB ALA A 45 -30.187 31.213 1.775 1.00 10.00 C ATOM 0 H ALA A 45 -29.005 32.785 3.353 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.576 30.065 2.464 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.413 30.541 0.947 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.797 30.944 2.637 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.408 32.239 1.480 1.00 10.00 H new ATOM 663 N ALA A 46 -26.994 32.339 0.850 1.00 10.00 N ATOM 664 CA ALA A 46 -25.879 32.426 -0.084 1.00 10.00 C ATOM 665 C ALA A 46 -24.737 31.499 0.379 1.00 10.00 C ATOM 666 O ALA A 46 -24.094 30.851 -0.446 1.00 10.00 O ATOM 667 CB ALA A 46 -25.406 33.868 -0.245 1.00 10.00 C ATOM 0 H ALA A 46 -27.147 33.184 1.401 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.214 32.092 -1.066 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.573 33.902 -0.948 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.225 34.479 -0.623 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.081 34.254 0.721 1.00 10.00 H new ATOM 673 N TYR A 47 -24.525 31.364 1.696 1.00 10.00 N ATOM 674 CA TYR A 47 -23.645 30.352 2.274 1.00 10.00 C ATOM 675 C TYR A 47 -24.167 28.975 1.933 1.00 10.00 C ATOM 676 O TYR A 47 -23.436 28.206 1.327 1.00 10.00 O ATOM 677 CB TYR A 47 -23.517 30.493 3.790 1.00 10.00 C ATOM 678 CG TYR A 47 -22.574 29.494 4.448 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.222 29.425 4.076 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.081 28.555 5.372 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.380 28.431 4.611 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.242 27.568 5.926 1.00 10.00 C ATOM 683 CZ TYR A 47 -20.885 27.500 5.542 1.00 10.00 C ATOM 684 OH TYR A 47 -20.063 26.546 6.058 1.00 10.00 O ATOM 0 H TYR A 47 -24.967 31.964 2.393 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.652 30.496 1.848 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.172 31.501 4.019 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.506 30.385 4.235 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.824 30.141 3.373 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.122 28.594 5.657 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.345 28.382 4.307 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -22.637 26.864 6.644 1.00 10.00 H new ATOM 0 HH TYR A 47 -20.566 25.985 6.685 1.00 10.00 H new ATOM 694 N GLN A 48 -25.449 28.720 2.211 1.00 10.00 N ATOM 695 CA GLN A 48 -26.136 27.478 1.877 1.00 10.00 C ATOM 696 C GLN A 48 -26.025 27.129 0.381 1.00 10.00 C ATOM 697 O GLN A 48 -25.952 25.958 0.005 1.00 10.00 O ATOM 698 CB GLN A 48 -27.607 27.496 2.319 1.00 10.00 C ATOM 699 CG GLN A 48 -27.916 27.785 3.790 1.00 10.00 C ATOM 700 CD GLN A 48 -27.271 26.795 4.757 1.00 10.00 C ATOM 701 OE1 GLN A 48 -26.203 27.020 5.306 1.00 10.00 O ATOM 702 NE2 GLN A 48 -27.887 25.656 5.001 1.00 10.00 N ATOM 0 H GLN A 48 -26.050 29.393 2.687 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.626 26.694 2.437 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -28.127 28.241 1.717 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -28.041 26.527 2.072 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -27.575 28.791 4.033 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.996 27.770 3.935 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.779 25.452 4.551 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -27.471 24.978 5.640 1.00 10.00 H new ATOM 711 N SER A 49 -25.952 28.148 -0.479 1.00 10.00 N ATOM 712 CA SER A 49 -25.755 27.997 -1.912 1.00 10.00 C ATOM 713 C SER A 49 -24.329 27.619 -2.267 1.00 10.00 C ATOM 714 O SER A 49 -24.102 26.660 -2.998 1.00 10.00 O ATOM 715 CB SER A 49 -26.093 29.303 -2.665 1.00 10.00 C ATOM 716 OG SER A 49 -27.472 29.606 -2.555 1.00 10.00 O ATOM 0 H SER A 49 -26.031 29.122 -0.185 1.00 10.00 H new ATOM 0 HA SER A 49 -26.427 27.194 -2.215 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.502 30.125 -2.260 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.821 29.203 -3.716 1.00 10.00 H new ATOM 0 HG SER A 49 -27.676 29.871 -1.634 1.00 10.00 H new ATOM 722 N LYS A 50 -23.345 28.347 -1.739 1.00 10.00 N ATOM 723 CA LYS A 50 -21.926 28.115 -2.004 1.00 10.00 C ATOM 724 C LYS A 50 -21.441 26.796 -1.415 1.00 10.00 C ATOM 725 O LYS A 50 -20.666 26.099 -2.051 1.00 10.00 O ATOM 726 CB LYS A 50 -21.141 29.344 -1.524 1.00 10.00 C ATOM 727 CG LYS A 50 -21.492 30.563 -2.398 1.00 10.00 C ATOM 728 CD LYS A 50 -20.352 30.947 -3.328 1.00 10.00 C ATOM 729 CE LYS A 50 -20.020 29.856 -4.352 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.362 30.275 -5.739 1.00 10.00 N ATOM 0 H LYS A 50 -23.515 29.127 -1.105 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.755 28.001 -3.074 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.378 29.553 -0.481 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.070 29.145 -1.574 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.382 30.342 -2.988 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.737 31.410 -1.757 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.614 31.864 -3.855 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.464 31.163 -2.735 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -18.958 29.617 -4.296 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.565 28.946 -4.103 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.350 29.445 -6.365 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.310 30.702 -5.749 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.665 30.971 -6.073 1.00 10.00 H new ATOM 744 N LEU A 51 -21.983 26.416 -0.267 1.00 10.00 N ATOM 745 CA LEU A 51 -21.893 25.127 0.409 1.00 10.00 C ATOM 746 C LEU A 51 -22.308 24.002 -0.546 1.00 10.00 C ATOM 747 O LEU A 51 -21.642 22.970 -0.630 1.00 10.00 O ATOM 748 CB LEU A 51 -22.827 25.315 1.626 1.00 10.00 C ATOM 749 CG LEU A 51 -23.323 24.128 2.461 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.010 24.712 3.698 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.393 23.296 1.744 1.00 10.00 C ATOM 0 H LEU A 51 -22.555 27.068 0.269 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.892 24.837 0.729 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.317 25.991 2.312 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.713 25.837 1.265 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.465 23.490 2.673 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.381 23.901 4.325 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.295 25.310 4.263 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.844 25.341 3.388 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.703 22.471 2.386 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.254 23.926 1.520 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.983 22.899 0.815 1.00 10.00 H new ATOM 763 N SER A 52 -23.364 24.226 -1.327 1.00 10.00 N ATOM 764 CA SER A 52 -23.782 23.322 -2.387 1.00 10.00 C ATOM 765 C SER A 52 -22.879 23.391 -3.616 1.00 10.00 C ATOM 766 O SER A 52 -22.493 22.350 -4.136 1.00 10.00 O ATOM 767 CB SER A 52 -25.222 23.573 -2.816 1.00 10.00 C ATOM 768 OG SER A 52 -26.130 23.516 -1.724 1.00 10.00 O ATOM 0 H SER A 52 -23.957 25.051 -1.237 1.00 10.00 H new ATOM 0 HA SER A 52 -23.702 22.323 -1.957 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.291 24.551 -3.292 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.510 22.834 -3.563 1.00 10.00 H new ATOM 0 HG SER A 52 -26.042 24.328 -1.182 1.00 10.00 H new ATOM 774 N GLU A 53 -22.473 24.584 -4.060 1.00 10.00 N ATOM 775 CA GLU A 53 -21.560 24.747 -5.187 1.00 10.00 C ATOM 776 C GLU A 53 -20.205 24.067 -4.951 1.00 10.00 C ATOM 777 O GLU A 53 -19.576 23.562 -5.873 1.00 10.00 O ATOM 778 CB GLU A 53 -21.227 26.192 -5.498 1.00 10.00 C ATOM 779 CG GLU A 53 -22.205 27.197 -6.065 1.00 10.00 C ATOM 780 CD GLU A 53 -22.939 26.703 -7.326 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.296 26.594 -8.398 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.165 26.454 -7.259 1.00 10.00 O ATOM 0 H GLU A 53 -22.772 25.466 -3.644 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.107 24.290 -6.012 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -20.858 26.623 -4.567 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.387 26.165 -6.192 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -22.941 27.445 -5.301 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.670 28.116 -6.303 1.00 10.00 H new ATOM 789 N TYR A 54 -19.725 24.080 -3.713 1.00 10.00 N ATOM 790 CA TYR A 54 -18.491 23.427 -3.307 1.00 10.00 C ATOM 791 C TYR A 54 -18.647 21.907 -3.366 1.00 10.00 C ATOM 792 O TYR A 54 -17.736 21.214 -3.819 1.00 10.00 O ATOM 793 CB TYR A 54 -18.042 23.986 -1.952 1.00 10.00 C ATOM 794 CG TYR A 54 -17.449 23.008 -0.988 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.065 22.788 -0.988 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.279 22.365 -0.062 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.502 21.941 -0.024 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.726 21.511 0.896 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.324 21.316 0.945 1.00 10.00 C ATOM 800 OH TYR A 54 -15.774 20.539 1.919 1.00 10.00 O ATOM 0 H TYR A 54 -20.197 24.558 -2.946 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.682 23.649 -4.003 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.309 24.772 -2.134 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.902 24.456 -1.475 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.438 23.267 -1.725 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.346 22.529 -0.088 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.437 21.764 -0.020 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.367 21.000 1.599 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.483 20.190 2.499 1.00 10.00 H new ATOM 843 N TYR A 57 -18.493 21.357 -7.157 1.00 10.00 N ATOM 844 CA TYR A 57 -17.074 21.272 -7.467 1.00 10.00 C ATOM 845 C TYR A 57 -16.610 19.821 -7.193 1.00 10.00 C ATOM 846 O TYR A 57 -15.909 19.206 -7.992 1.00 10.00 O ATOM 847 CB TYR A 57 -16.265 22.361 -6.732 1.00 10.00 C ATOM 848 CG TYR A 57 -14.803 21.976 -6.717 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.393 21.019 -5.778 1.00 10.00 C ATOM 850 CD2 TYR A 57 -13.963 22.319 -7.793 1.00 10.00 C ATOM 851 CE1 TYR A 57 -13.208 20.295 -5.979 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.729 21.659 -7.953 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.362 20.623 -7.064 1.00 10.00 C ATOM 854 OH TYR A 57 -11.213 19.931 -7.276 1.00 10.00 O ATOM 0 HA TYR A 57 -16.890 21.483 -8.521 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.394 23.323 -7.228 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.632 22.477 -5.712 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.991 20.838 -4.897 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.263 23.085 -8.493 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.943 19.491 -5.308 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.064 21.944 -8.754 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.756 20.290 -8.065 1.00 10.00 H new ATOM 864 N ARG A 58 -17.095 19.243 -6.086 1.00 10.00 N ATOM 865 CA ARG A 58 -16.909 17.857 -5.644 1.00 10.00 C ATOM 866 C ARG A 58 -17.651 16.818 -6.489 1.00 10.00 C ATOM 867 O ARG A 58 -17.151 15.716 -6.656 1.00 10.00 O ATOM 868 CB ARG A 58 -17.406 17.770 -4.187 1.00 10.00 C ATOM 869 CG ARG A 58 -16.412 17.279 -3.145 1.00 10.00 C ATOM 870 CD ARG A 58 -15.410 18.402 -2.843 1.00 10.00 C ATOM 871 NE ARG A 58 -14.469 18.052 -1.763 1.00 10.00 N ATOM 872 CZ ARG A 58 -14.736 18.077 -0.469 1.00 10.00 C ATOM 873 NH1 ARG A 58 -15.947 18.218 -0.011 1.00 10.00 N ATOM 874 NH2 ARG A 58 -13.781 17.968 0.404 1.00 10.00 N ATOM 0 H ARG A 58 -17.669 19.771 -5.429 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.850 17.619 -5.748 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.750 18.760 -3.887 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.274 17.111 -4.164 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.935 16.986 -2.235 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.889 16.396 -3.511 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.848 18.634 -3.748 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.955 19.304 -2.566 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.530 17.766 -2.039 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -16.729 18.314 -0.659 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -16.113 18.233 0.995 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -12.815 17.862 0.093 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -13.996 17.988 1.401 1.00 10.00 H new ATOM 888 N ASN A 59 -18.825 17.147 -7.024 1.00 10.00 N ATOM 889 CA ASN A 59 -19.614 16.303 -7.922 1.00 10.00 C ATOM 890 C ASN A 59 -18.866 16.099 -9.247 1.00 10.00 C ATOM 891 O ASN A 59 -18.719 14.988 -9.752 1.00 10.00 O ATOM 892 CB ASN A 59 -21.001 16.939 -8.151 1.00 10.00 C ATOM 893 CG ASN A 59 -21.930 16.004 -8.907 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.999 16.010 -10.127 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.668 15.167 -8.213 1.00 10.00 N ATOM 0 H ASN A 59 -19.271 18.045 -6.837 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.760 15.323 -7.467 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.447 17.196 -7.190 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.888 17.869 -8.709 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.297 14.523 -8.693 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.611 15.161 -7.195 1.00 10.00 H new ATOM 902 N ALA A 60 -18.311 17.193 -9.760 1.00 10.00 N ATOM 903 CA ALA A 60 -17.388 17.236 -10.871 1.00 10.00 C ATOM 904 C ALA A 60 -16.087 16.504 -10.549 1.00 10.00 C ATOM 905 O ALA A 60 -15.694 15.601 -11.284 1.00 10.00 O ATOM 906 CB ALA A 60 -17.194 18.725 -11.181 1.00 10.00 C ATOM 0 H ALA A 60 -18.509 18.121 -9.385 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.771 16.715 -11.748 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.503 18.836 -12.017 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.154 19.170 -11.442 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.787 19.229 -10.304 1.00 10.00 H new ATOM 912 N GLN A 61 -15.516 16.758 -9.372 1.00 10.00 N ATOM 913 CA GLN A 61 -14.397 16.023 -8.788 1.00 10.00 C ATOM 914 C GLN A 61 -14.807 14.727 -8.061 1.00 10.00 C ATOM 915 O GLN A 61 -14.296 14.342 -7.009 1.00 10.00 O ATOM 916 CB GLN A 61 -13.547 16.967 -7.974 1.00 10.00 C ATOM 917 CG GLN A 61 -12.108 16.443 -7.801 1.00 10.00 C ATOM 918 CD GLN A 61 -11.093 16.988 -8.811 1.00 10.00 C ATOM 919 OE1 GLN A 61 -11.407 17.504 -9.876 1.00 10.00 O ATOM 920 NE2 GLN A 61 -9.816 16.868 -8.517 1.00 10.00 N ATOM 0 H GLN A 61 -15.837 17.518 -8.772 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.776 15.641 -9.598 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.522 17.943 -8.459 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.001 17.110 -6.994 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.766 16.690 -6.796 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -12.122 15.356 -7.874 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -9.534 16.441 -7.635 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -9.108 17.202 -9.171 1.00 10.00 H new ATOM 929 N SER A 62 -15.773 14.080 -8.694 1.00 10.00 N ATOM 930 CA SER A 62 -16.299 12.735 -8.490 1.00 10.00 C ATOM 931 C SER A 62 -16.560 12.099 -9.864 1.00 10.00 C ATOM 932 O SER A 62 -16.202 10.951 -10.105 1.00 10.00 O ATOM 933 CB SER A 62 -17.521 12.734 -7.576 1.00 10.00 C ATOM 934 OG SER A 62 -18.007 11.414 -7.393 1.00 10.00 O ATOM 0 H SER A 62 -16.269 14.541 -9.457 1.00 10.00 H new ATOM 0 HA SER A 62 -15.564 12.124 -7.966 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.260 13.168 -6.611 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.304 13.359 -8.006 1.00 10.00 H new ATOM 0 HG SER A 62 -18.789 11.432 -6.803 1.00 10.00 H new ATOM 940 N ASN A 63 -17.005 12.893 -10.841 1.00 10.00 N ATOM 941 CA ASN A 63 -17.176 12.506 -12.235 1.00 10.00 C ATOM 942 C ASN A 63 -15.870 12.090 -12.914 1.00 10.00 C ATOM 943 O ASN A 63 -15.733 10.995 -13.445 1.00 10.00 O ATOM 944 CB ASN A 63 -17.823 13.700 -12.961 1.00 10.00 C ATOM 945 CG ASN A 63 -18.461 13.291 -14.277 1.00 10.00 C ATOM 946 OD1 ASN A 63 -17.811 13.212 -15.309 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.745 13.011 -14.285 1.00 10.00 N ATOM 0 H ASN A 63 -17.266 13.864 -10.670 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.810 11.621 -12.283 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.579 14.149 -12.317 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.068 14.463 -13.147 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.200 12.727 -15.153 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.287 13.077 -13.423 1.00 10.00 H new ATOM 954 N THR A 64 -14.886 12.972 -12.818 1.00 10.00 N ATOM 955 CA THR A 64 -13.510 12.815 -13.311 1.00 10.00 C ATOM 956 C THR A 64 -12.748 11.644 -12.717 1.00 10.00 C ATOM 957 O THR A 64 -12.019 10.907 -13.367 1.00 10.00 O ATOM 958 CB THR A 64 -12.772 14.118 -13.040 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.466 14.137 -13.559 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.747 14.469 -11.556 1.00 10.00 C ATOM 0 H THR A 64 -15.028 13.876 -12.367 1.00 10.00 H new ATOM 0 HA THR A 64 -13.570 12.589 -14.376 1.00 10.00 H new ATOM 0 HB THR A 64 -13.345 14.880 -13.569 1.00 10.00 H new ATOM 0 HG1 THR A 64 -10.928 13.447 -13.118 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.210 15.406 -11.413 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.768 14.577 -11.190 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.245 13.675 -11.003 1.00 10.00 H new ATOM 968 N VAL A 65 -13.003 11.418 -11.451 1.00 10.00 N ATOM 969 CA VAL A 65 -12.546 10.304 -10.639 1.00 10.00 C ATOM 970 C VAL A 65 -13.081 8.987 -11.216 1.00 10.00 C ATOM 971 O VAL A 65 -12.326 8.060 -11.507 1.00 10.00 O ATOM 972 CB VAL A 65 -13.046 10.556 -9.214 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.194 9.795 -8.208 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.065 12.049 -8.833 1.00 10.00 C ATOM 0 H VAL A 65 -13.584 12.060 -10.912 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.459 10.224 -10.634 1.00 10.00 H new ATOM 0 HB VAL A 65 -14.075 10.198 -9.187 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.563 9.986 -7.200 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.249 8.727 -8.419 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.158 10.127 -8.284 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.429 12.159 -7.812 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.056 12.456 -8.905 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.723 12.590 -9.513 1.00 10.00 H new ATOM 984 N LYS A 66 -14.386 8.973 -11.514 1.00 10.00 N ATOM 985 CA LYS A 66 -15.131 7.956 -12.262 1.00 10.00 C ATOM 986 C LYS A 66 -14.784 7.902 -13.771 1.00 10.00 C ATOM 987 O LYS A 66 -15.353 7.095 -14.504 1.00 10.00 O ATOM 988 CB LYS A 66 -16.638 8.169 -12.003 1.00 10.00 C ATOM 989 CG LYS A 66 -17.187 7.344 -10.824 1.00 10.00 C ATOM 990 CD LYS A 66 -16.572 7.662 -9.450 1.00 10.00 C ATOM 991 CE LYS A 66 -17.227 6.870 -8.308 1.00 10.00 C ATOM 992 NZ LYS A 66 -16.934 5.413 -8.373 1.00 10.00 N ATOM 0 H LYS A 66 -14.996 9.734 -11.214 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.830 6.974 -11.897 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.818 9.226 -11.810 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -17.193 7.911 -12.905 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -18.264 7.499 -10.765 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -17.028 6.287 -11.038 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -15.505 7.441 -9.474 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -16.672 8.729 -9.250 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -16.879 7.263 -7.353 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -18.306 7.020 -8.340 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -17.401 4.929 -7.579 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -17.290 5.027 -9.271 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -15.907 5.263 -8.314 1.00 10.00 H new ATOM 1006 N VAL A 67 -13.797 8.682 -14.223 1.00 10.00 N ATOM 1007 CA VAL A 67 -13.235 8.749 -15.576 1.00 10.00 C ATOM 1008 C VAL A 67 -11.786 8.287 -15.602 1.00 10.00 C ATOM 1009 O VAL A 67 -11.371 7.599 -16.528 1.00 10.00 O ATOM 1010 CB VAL A 67 -13.436 10.161 -16.115 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -12.521 10.550 -17.255 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -14.896 10.304 -16.482 1.00 10.00 C ATOM 0 H VAL A 67 -13.331 9.339 -13.598 1.00 10.00 H new ATOM 0 HA VAL A 67 -13.759 8.058 -16.237 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.156 10.863 -15.329 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -12.742 11.571 -17.567 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -11.484 10.488 -16.926 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -12.677 9.872 -18.094 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -15.077 11.305 -16.873 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -15.154 9.566 -17.242 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -15.511 10.143 -15.597 1.00 10.00 H new ATOM 1022 N PHE A 68 -11.017 8.583 -14.559 1.00 10.00 N ATOM 1023 CA PHE A 68 -9.719 7.968 -14.330 1.00 10.00 C ATOM 1024 C PHE A 68 -9.980 6.475 -14.023 1.00 10.00 C ATOM 1025 O PHE A 68 -9.152 5.615 -14.286 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.010 8.702 -13.194 1.00 10.00 C ATOM 1027 CG PHE A 68 -8.529 10.102 -13.542 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -7.561 10.292 -14.547 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.052 11.224 -12.869 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.145 11.590 -14.897 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.655 12.523 -13.233 1.00 10.00 C ATOM 1032 CZ PHE A 68 -7.702 12.707 -14.249 1.00 10.00 C ATOM 0 H PHE A 68 -11.281 9.262 -13.845 1.00 10.00 H new ATOM 0 HA PHE A 68 -9.061 8.036 -15.196 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.688 8.767 -12.343 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -8.154 8.108 -12.875 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -7.136 9.437 -15.052 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.763 11.085 -12.068 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -6.397 11.728 -15.664 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.082 13.379 -12.732 1.00 10.00 H new ATOM 0 HZ PHE A 68 -7.398 13.704 -14.532 1.00 10.00 H new