USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 2 GLN : amide:sc= -0.0854 X(o=-0.085,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -91:sc= -1.03 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.101) USER MOD Single : A 12 THR OG1 : rot -3:sc= 0.735! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.928 USER MOD Single : A 25 ASN : amide:sc=-0.00631 X(o=-0.0063,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -4.99! (180deg=-6.63!) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= 0.782 (180deg=-0.546) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= -0.0248 (180deg=-0.38) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.05 F(o=-3.2!,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc=-0.00928 (180deg=-0.0783) USER MOD Single : A 49 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.019) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 163:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot -36:sc= 0.449 USER MOD Single : A 68 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 50.783 -4.731 4.708 1.00 0.00 N ATOM 21 CA GLN A 2 52.078 -5.325 4.393 1.00 0.00 C ATOM 22 C GLN A 2 52.547 -4.847 3.030 1.00 0.00 C ATOM 23 O GLN A 2 51.767 -4.269 2.275 1.00 0.00 O ATOM 24 CB GLN A 2 51.956 -6.852 4.428 1.00 0.00 C ATOM 25 CG GLN A 2 51.724 -7.298 5.877 1.00 0.00 C ATOM 26 CD GLN A 2 51.988 -8.793 6.029 1.00 0.00 C ATOM 27 OE1 GLN A 2 52.550 -9.223 7.037 1.00 0.00 O ATOM 28 NE2 GLN A 2 51.617 -9.617 5.089 1.00 0.00 N ATOM 0 HA GLN A 2 52.817 -5.017 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.130 -7.179 3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.862 -7.312 4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 2 52.379 -6.738 6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.699 -7.072 6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 2 51.151 -9.262 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 2 51.792 -10.617 5.189 1.00 0.00 H new ATOM 37 N ILE A 3 53.822 -5.071 2.715 1.00 0.00 N ATOM 38 CA ILE A 3 54.351 -4.635 1.427 1.00 0.00 C ATOM 39 C ILE A 3 54.838 -5.816 0.612 1.00 0.00 C ATOM 40 O ILE A 3 55.123 -6.893 1.136 1.00 0.00 O ATOM 41 CB ILE A 3 55.493 -3.622 1.604 1.00 0.00 C ATOM 42 CG1 ILE A 3 54.898 -2.204 1.639 1.00 0.00 C ATOM 43 CG2 ILE A 3 56.474 -3.736 0.423 1.00 0.00 C ATOM 44 CD1 ILE A 3 55.986 -1.149 1.415 1.00 0.00 C ATOM 0 H ILE A 3 54.494 -5.542 3.321 1.00 0.00 H new ATOM 0 HA ILE A 3 53.535 -4.148 0.892 1.00 0.00 H new ATOM 0 HB ILE A 3 56.026 -3.826 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 3 54.130 -2.109 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.412 -2.033 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.283 -3.017 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 3 56.887 -4.744 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 3 55.948 -3.528 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.540 -0.155 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 3 56.740 -1.232 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 3 56.453 -1.309 0.443 1.00 0.00 H new ATOM 56 N PHE A 4 54.913 -5.583 -0.688 1.00 0.00 N ATOM 57 CA PHE A 4 55.345 -6.592 -1.630 1.00 0.00 C ATOM 58 C PHE A 4 56.255 -5.956 -2.684 1.00 0.00 C ATOM 59 O PHE A 4 55.955 -4.883 -3.207 1.00 0.00 O ATOM 60 CB PHE A 4 54.097 -7.193 -2.280 1.00 0.00 C ATOM 61 CG PHE A 4 54.396 -7.609 -3.698 1.00 0.00 C ATOM 62 CD1 PHE A 4 55.542 -8.359 -3.975 1.00 0.00 C ATOM 63 CD2 PHE A 4 53.526 -7.246 -4.735 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.826 -8.747 -5.288 1.00 0.00 C ATOM 65 CE2 PHE A 4 53.810 -7.636 -6.049 1.00 0.00 C ATOM 66 CZ PHE A 4 54.961 -8.387 -6.326 1.00 0.00 C ATOM 0 H PHE A 4 54.675 -4.688 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 4 55.911 -7.376 -1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 4 53.758 -8.054 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 4 53.287 -6.464 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.209 -8.639 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 4 52.640 -6.667 -4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 4 56.713 -9.325 -5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 4 53.142 -7.358 -6.850 1.00 0.00 H new ATOM 0 HZ PHE A 4 55.179 -8.687 -7.340 1.00 0.00 H new ATOM 76 N VAL A 5 57.369 -6.620 -2.988 1.00 0.00 N ATOM 77 CA VAL A 5 58.315 -6.104 -3.976 1.00 0.00 C ATOM 78 C VAL A 5 58.686 -7.181 -4.996 1.00 0.00 C ATOM 79 O VAL A 5 58.800 -8.358 -4.657 1.00 0.00 O ATOM 80 CB VAL A 5 59.580 -5.602 -3.277 1.00 0.00 C ATOM 81 CG1 VAL A 5 60.427 -4.811 -4.272 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.190 -4.692 -2.110 1.00 0.00 C ATOM 0 H VAL A 5 57.637 -7.510 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 5 57.837 -5.278 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 5 60.151 -6.452 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.329 -4.452 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 5 60.703 -5.455 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 5 59.854 -3.961 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.091 -4.334 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 5 58.621 -3.842 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 5 58.580 -5.251 -1.400 1.00 0.00 H new ATOM 92 N LYS A 6 58.869 -6.769 -6.249 1.00 0.00 N ATOM 93 CA LYS A 6 59.233 -7.706 -7.312 1.00 0.00 C ATOM 94 C LYS A 6 60.724 -7.595 -7.627 1.00 0.00 C ATOM 95 O LYS A 6 61.257 -6.495 -7.769 1.00 0.00 O ATOM 96 CB LYS A 6 58.418 -7.410 -8.577 1.00 0.00 C ATOM 97 CG LYS A 6 58.730 -5.994 -9.069 1.00 0.00 C ATOM 98 CD LYS A 6 57.817 -5.648 -10.249 1.00 0.00 C ATOM 99 CE LYS A 6 58.072 -6.616 -11.410 1.00 0.00 C ATOM 100 NZ LYS A 6 57.877 -5.902 -12.705 1.00 0.00 N ATOM 0 H LYS A 6 58.772 -5.800 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 6 59.014 -8.718 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 6 58.656 -8.137 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 6 57.353 -7.506 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 6 58.585 -5.277 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 6 59.775 -5.925 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.773 -5.704 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 6 57.999 -4.623 -10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 6 59.085 -7.013 -11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 6 57.392 -7.466 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 58.050 -6.558 -13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 56.902 -5.544 -12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 58.543 -5.105 -12.766 1.00 0.00 H new ATOM 114 N THR A 7 61.397 -8.738 -7.730 1.00 0.00 N ATOM 115 CA THR A 7 62.826 -8.743 -8.026 1.00 0.00 C ATOM 116 C THR A 7 63.063 -8.680 -9.532 1.00 0.00 C ATOM 117 O THR A 7 62.153 -8.931 -10.323 1.00 0.00 O ATOM 118 CB THR A 7 63.479 -10.007 -7.461 1.00 0.00 C ATOM 119 OG1 THR A 7 62.719 -11.142 -7.846 1.00 0.00 O ATOM 120 CG2 THR A 7 63.536 -9.923 -5.936 1.00 0.00 C ATOM 0 H THR A 7 60.982 -9.662 -7.614 1.00 0.00 H new ATOM 0 HA THR A 7 63.273 -7.865 -7.559 1.00 0.00 H new ATOM 0 HB THR A 7 64.492 -10.096 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 7 62.043 -11.331 -7.162 1.00 0.00 H new ATOM 0 HG21 THR A 7 64.002 -10.825 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.122 -9.052 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.525 -9.832 -5.539 1.00 0.00 H new ATOM 128 N LEU A 8 64.290 -8.346 -9.919 1.00 0.00 N ATOM 129 CA LEU A 8 64.639 -8.253 -11.334 1.00 0.00 C ATOM 130 C LEU A 8 64.663 -9.638 -11.970 1.00 0.00 C ATOM 131 O LEU A 8 64.742 -9.771 -13.191 1.00 0.00 O ATOM 132 CB LEU A 8 66.010 -7.584 -11.496 1.00 0.00 C ATOM 133 CG LEU A 8 67.064 -8.322 -10.647 1.00 0.00 C ATOM 134 CD1 LEU A 8 67.692 -9.465 -11.456 1.00 0.00 C ATOM 135 CD2 LEU A 8 68.167 -7.343 -10.228 1.00 0.00 C ATOM 0 H LEU A 8 65.055 -8.136 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 8 63.884 -7.649 -11.837 1.00 0.00 H new ATOM 0 HB2 LEU A 8 66.306 -7.593 -12.545 1.00 0.00 H new ATOM 0 HB3 LEU A 8 65.952 -6.539 -11.190 1.00 0.00 H new ATOM 0 HG LEU A 8 66.575 -8.731 -9.763 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.435 -9.978 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 8 66.916 -10.170 -11.752 1.00 0.00 H new ATOM 0 HD13 LEU A 8 68.172 -9.059 -12.346 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.911 -7.868 -9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 8 68.644 -6.930 -11.117 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.732 -6.534 -9.641 1.00 0.00 H new ATOM 147 N THR A 9 64.597 -10.668 -11.132 1.00 0.00 N ATOM 148 CA THR A 9 64.613 -12.044 -11.615 1.00 0.00 C ATOM 149 C THR A 9 63.190 -12.581 -11.733 1.00 0.00 C ATOM 150 O THR A 9 62.949 -13.606 -12.368 1.00 0.00 O ATOM 151 CB THR A 9 65.412 -12.922 -10.646 1.00 0.00 C ATOM 152 OG1 THR A 9 66.490 -12.168 -10.111 1.00 0.00 O ATOM 153 CG2 THR A 9 65.960 -14.143 -11.386 1.00 0.00 C ATOM 0 H THR A 9 64.532 -10.576 -10.118 1.00 0.00 H new ATOM 0 HA THR A 9 65.082 -12.065 -12.599 1.00 0.00 H new ATOM 0 HB THR A 9 64.761 -13.256 -9.838 1.00 0.00 H new ATOM 0 HG1 THR A 9 67.003 -12.726 -9.489 1.00 0.00 H new ATOM 0 HG21 THR A 9 66.527 -14.764 -10.693 1.00 0.00 H new ATOM 0 HG22 THR A 9 65.132 -14.721 -11.797 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.611 -13.815 -12.196 1.00 0.00 H new ATOM 161 N GLY A 10 62.251 -11.877 -11.109 1.00 0.00 N ATOM 162 CA GLY A 10 60.850 -12.281 -11.137 1.00 0.00 C ATOM 163 C GLY A 10 60.450 -12.929 -9.816 1.00 0.00 C ATOM 164 O GLY A 10 59.277 -13.229 -9.589 1.00 0.00 O ATOM 0 H GLY A 10 62.434 -11.025 -10.579 1.00 0.00 H new ATOM 0 HA2 GLY A 10 60.220 -11.412 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 10 60.684 -12.981 -11.956 1.00 0.00 H new ATOM 168 N LYS A 11 61.433 -13.138 -8.945 1.00 0.00 N ATOM 169 CA LYS A 11 61.170 -13.748 -7.645 1.00 0.00 C ATOM 170 C LYS A 11 60.396 -12.782 -6.754 1.00 0.00 C ATOM 171 O LYS A 11 60.827 -11.652 -6.529 1.00 0.00 O ATOM 172 CB LYS A 11 62.490 -14.121 -6.963 1.00 0.00 C ATOM 173 CG LYS A 11 63.033 -15.420 -7.560 1.00 0.00 C ATOM 174 CD LYS A 11 64.455 -15.658 -7.047 1.00 0.00 C ATOM 175 CE LYS A 11 64.844 -17.118 -7.281 1.00 0.00 C ATOM 176 NZ LYS A 11 64.886 -17.388 -8.745 1.00 0.00 N ATOM 0 H LYS A 11 62.410 -12.897 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 11 60.575 -14.648 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.216 -13.319 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.335 -14.240 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 11 62.390 -16.256 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 11 63.032 -15.362 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 11 65.154 -14.998 -7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 11 64.514 -15.421 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 11 65.817 -17.323 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 11 64.125 -17.780 -6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 65.357 -18.299 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 63.916 -17.423 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 65.414 -16.630 -9.223 1.00 0.00 H new ATOM 190 N THR A 12 59.251 -13.231 -6.252 1.00 0.00 N ATOM 191 CA THR A 12 58.430 -12.387 -5.390 1.00 0.00 C ATOM 192 C THR A 12 58.970 -12.378 -3.964 1.00 0.00 C ATOM 193 O THR A 12 58.976 -13.405 -3.283 1.00 0.00 O ATOM 194 CB THR A 12 56.985 -12.892 -5.389 1.00 0.00 C ATOM 195 OG1 THR A 12 56.872 -13.999 -4.508 1.00 0.00 O ATOM 196 CG2 THR A 12 56.590 -13.319 -6.804 1.00 0.00 C ATOM 0 H THR A 12 58.873 -14.163 -6.424 1.00 0.00 H new ATOM 0 HA THR A 12 58.461 -11.369 -5.779 1.00 0.00 H new ATOM 0 HB THR A 12 56.322 -12.094 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 12 57.756 -14.221 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 12 55.561 -13.678 -6.802 1.00 0.00 H new ATOM 0 HG22 THR A 12 56.675 -12.467 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 12 57.252 -14.116 -7.142 1.00 0.00 H new ATOM 204 N ILE A 13 59.417 -11.206 -3.517 1.00 0.00 N ATOM 205 CA ILE A 13 59.954 -11.056 -2.167 1.00 0.00 C ATOM 206 C ILE A 13 59.002 -10.215 -1.319 1.00 0.00 C ATOM 207 O ILE A 13 58.817 -9.024 -1.566 1.00 0.00 O ATOM 208 CB ILE A 13 61.344 -10.401 -2.230 1.00 0.00 C ATOM 209 CG1 ILE A 13 62.082 -10.627 -0.906 1.00 0.00 C ATOM 210 CG2 ILE A 13 61.218 -8.894 -2.486 1.00 0.00 C ATOM 211 CD1 ILE A 13 63.489 -10.022 -0.989 1.00 0.00 C ATOM 0 H ILE A 13 59.418 -10.348 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 13 60.052 -12.039 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 13 61.903 -10.855 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 13 61.527 -10.170 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 13 62.146 -11.694 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 13 62.212 -8.448 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.706 -8.727 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.647 -8.434 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 13 64.011 -10.184 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 13 64.043 -10.499 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 13 63.414 -8.952 -1.183 1.00 0.00 H new ATOM 223 N THR A 14 58.385 -10.850 -0.328 1.00 0.00 N ATOM 224 CA THR A 14 57.437 -10.161 0.544 1.00 0.00 C ATOM 225 C THR A 14 58.060 -9.861 1.902 1.00 0.00 C ATOM 226 O THR A 14 58.772 -10.691 2.468 1.00 0.00 O ATOM 227 CB THR A 14 56.182 -11.018 0.739 1.00 0.00 C ATOM 228 OG1 THR A 14 56.558 -12.338 1.109 1.00 0.00 O ATOM 229 CG2 THR A 14 55.381 -11.055 -0.564 1.00 0.00 C ATOM 0 H THR A 14 58.523 -11.836 -0.108 1.00 0.00 H new ATOM 0 HA THR A 14 57.167 -9.218 0.068 1.00 0.00 H new ATOM 0 HB THR A 14 55.567 -10.586 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.754 -12.884 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.488 -11.665 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.089 -10.042 -0.841 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.994 -11.485 -1.356 1.00 0.00 H new ATOM 237 N LEU A 15 57.772 -8.672 2.424 1.00 0.00 N ATOM 238 CA LEU A 15 58.290 -8.263 3.727 1.00 0.00 C ATOM 239 C LEU A 15 57.133 -8.121 4.693 1.00 0.00 C ATOM 240 O LEU A 15 56.051 -7.677 4.310 1.00 0.00 O ATOM 241 CB LEU A 15 59.052 -6.931 3.616 1.00 0.00 C ATOM 242 CG LEU A 15 58.941 -6.379 2.193 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.565 -4.983 2.141 1.00 0.00 C ATOM 244 CD2 LEU A 15 59.675 -7.313 1.213 1.00 0.00 C ATOM 0 H LEU A 15 57.184 -7.976 1.966 1.00 0.00 H new ATOM 0 HA LEU A 15 58.985 -9.020 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.646 -6.211 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 15 60.100 -7.080 3.876 1.00 0.00 H new ATOM 0 HG LEU A 15 57.891 -6.319 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.487 -4.587 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 15 59.038 -4.323 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.615 -5.043 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.593 -6.916 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 15 60.726 -7.380 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.226 -8.305 1.251 1.00 0.00 H new ATOM 256 N GLU A 16 57.352 -8.486 5.950 1.00 0.00 N ATOM 257 CA GLU A 16 56.290 -8.361 6.927 1.00 0.00 C ATOM 258 C GLU A 16 56.483 -7.045 7.641 1.00 0.00 C ATOM 259 O GLU A 16 57.444 -6.857 8.389 1.00 0.00 O ATOM 260 CB GLU A 16 56.355 -9.522 7.930 1.00 0.00 C ATOM 261 CG GLU A 16 55.834 -10.810 7.272 1.00 0.00 C ATOM 262 CD GLU A 16 56.699 -11.997 7.681 1.00 0.00 C ATOM 263 OE1 GLU A 16 56.525 -12.479 8.789 1.00 0.00 O ATOM 264 OE2 GLU A 16 57.527 -12.405 6.883 1.00 0.00 O ATOM 0 H GLU A 16 58.232 -8.860 6.306 1.00 0.00 H new ATOM 0 HA GLU A 16 55.315 -8.393 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 16 57.381 -9.665 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 16 55.759 -9.287 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 16 54.800 -10.985 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 16 55.842 -10.702 6.187 1.00 0.00 H new ATOM 271 N VAL A 17 55.585 -6.117 7.359 1.00 0.00 N ATOM 272 CA VAL A 17 55.678 -4.792 7.930 1.00 0.00 C ATOM 273 C VAL A 17 54.318 -4.144 8.087 1.00 0.00 C ATOM 274 O VAL A 17 53.314 -4.611 7.550 1.00 0.00 O ATOM 275 CB VAL A 17 56.509 -3.924 6.993 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.812 -3.869 5.632 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.624 -2.506 7.561 1.00 0.00 C ATOM 0 H VAL A 17 54.787 -6.259 6.740 1.00 0.00 H new ATOM 0 HA VAL A 17 56.132 -4.880 8.917 1.00 0.00 H new ATOM 0 HB VAL A 17 57.508 -4.347 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.395 -3.251 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.727 -4.877 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.817 -3.440 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.219 -1.891 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.629 -2.073 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.106 -2.543 8.538 1.00 0.00 H new ATOM 287 N GLU A 18 54.329 -3.007 8.770 1.00 0.00 N ATOM 288 CA GLU A 18 53.138 -2.199 8.952 1.00 0.00 C ATOM 289 C GLU A 18 53.122 -1.185 7.805 1.00 0.00 C ATOM 290 O GLU A 18 54.066 -1.142 7.023 1.00 0.00 O ATOM 291 CB GLU A 18 53.210 -1.495 10.314 1.00 0.00 C ATOM 292 CG GLU A 18 54.656 -1.069 10.598 1.00 0.00 C ATOM 293 CD GLU A 18 55.450 -2.240 11.172 1.00 0.00 C ATOM 294 OE1 GLU A 18 54.971 -3.359 11.079 1.00 0.00 O ATOM 295 OE2 GLU A 18 56.524 -2.001 11.697 1.00 0.00 O ATOM 0 H GLU A 18 55.164 -2.622 9.212 1.00 0.00 H new ATOM 0 HA GLU A 18 52.227 -2.798 8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 18 52.556 -0.623 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.856 -2.163 11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 18 55.126 -0.718 9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 18 54.666 -0.235 11.300 1.00 0.00 H new ATOM 302 N PRO A 19 52.110 -0.387 7.647 1.00 0.00 N ATOM 303 CA PRO A 19 52.068 0.580 6.543 1.00 0.00 C ATOM 304 C PRO A 19 53.006 1.749 6.765 1.00 0.00 C ATOM 305 O PRO A 19 53.160 2.576 5.867 1.00 0.00 O ATOM 306 CB PRO A 19 50.611 1.024 6.449 1.00 0.00 C ATOM 307 CG PRO A 19 49.877 0.276 7.510 1.00 0.00 C ATOM 308 CD PRO A 19 50.914 -0.278 8.466 1.00 0.00 C ATOM 0 HA PRO A 19 52.410 0.130 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.522 2.100 6.599 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.200 0.805 5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.183 0.933 8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.286 -0.530 7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.070 0.385 9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.613 -1.246 8.867 1.00 0.00 H new ATOM 316 N SER A 20 53.647 1.858 7.943 1.00 0.00 N ATOM 317 CA SER A 20 54.524 2.998 8.092 1.00 0.00 C ATOM 318 C SER A 20 55.792 2.682 7.351 1.00 0.00 C ATOM 319 O SER A 20 56.373 3.559 6.722 1.00 0.00 O ATOM 320 CB SER A 20 54.855 3.252 9.559 1.00 0.00 C ATOM 321 OG SER A 20 55.551 2.128 10.084 1.00 0.00 O ATOM 0 H SER A 20 53.577 1.221 8.737 1.00 0.00 H new ATOM 0 HA SER A 20 54.036 3.891 7.700 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.465 4.150 9.656 1.00 0.00 H new ATOM 0 HB3 SER A 20 53.940 3.425 10.126 1.00 0.00 H new ATOM 0 HG SER A 20 55.767 2.288 11.026 1.00 0.00 H new ATOM 327 N ASP A 21 56.103 1.392 7.247 1.00 0.00 N ATOM 328 CA ASP A 21 57.161 0.988 6.352 1.00 0.00 C ATOM 329 C ASP A 21 58.257 2.018 6.250 1.00 0.00 C ATOM 330 O ASP A 21 58.327 2.687 5.219 1.00 0.00 O ATOM 331 CB ASP A 21 56.630 0.624 4.983 1.00 0.00 C ATOM 332 CG ASP A 21 56.623 -0.888 4.815 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.676 -1.485 4.969 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.567 -1.424 4.534 1.00 0.00 O ATOM 0 H ASP A 21 55.648 0.636 7.758 1.00 0.00 H new ATOM 0 HA ASP A 21 57.603 0.093 6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.621 1.017 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.248 1.082 4.210 1.00 0.00 H new ATOM 339 N THR A 22 59.071 2.264 7.245 1.00 0.00 N ATOM 340 CA THR A 22 60.005 3.340 7.019 1.00 0.00 C ATOM 341 C THR A 22 61.127 2.756 6.196 1.00 0.00 C ATOM 342 O THR A 22 61.539 1.612 6.369 1.00 0.00 O ATOM 343 CB THR A 22 60.537 3.876 8.360 1.00 0.00 C ATOM 344 OG1 THR A 22 60.184 2.975 9.402 1.00 0.00 O ATOM 345 CG2 THR A 22 59.925 5.246 8.652 1.00 0.00 C ATOM 0 H THR A 22 59.112 1.784 8.144 1.00 0.00 H new ATOM 0 HA THR A 22 59.534 4.177 6.504 1.00 0.00 H new ATOM 0 HB THR A 22 61.621 3.969 8.303 1.00 0.00 H new ATOM 0 HG1 THR A 22 60.524 3.314 10.257 1.00 0.00 H new ATOM 0 HG21 THR A 22 60.306 5.619 9.603 1.00 0.00 H new ATOM 0 HG22 THR A 22 60.192 5.941 7.856 1.00 0.00 H new ATOM 0 HG23 THR A 22 58.840 5.156 8.706 1.00 0.00 H new ATOM 353 N ILE A 23 61.507 3.540 5.194 1.00 0.00 N ATOM 354 CA ILE A 23 62.471 3.109 4.195 1.00 0.00 C ATOM 355 C ILE A 23 63.754 2.640 4.844 1.00 0.00 C ATOM 356 O ILE A 23 64.229 1.552 4.541 1.00 0.00 O ATOM 357 CB ILE A 23 62.715 4.252 3.192 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.513 5.224 3.238 1.00 0.00 C ATOM 359 CG2 ILE A 23 62.876 3.711 1.753 1.00 0.00 C ATOM 360 CD1 ILE A 23 60.254 4.535 2.733 1.00 0.00 C ATOM 0 H ILE A 23 61.156 4.487 5.053 1.00 0.00 H new ATOM 0 HA ILE A 23 62.068 2.255 3.650 1.00 0.00 H new ATOM 0 HB ILE A 23 63.636 4.765 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 23 61.359 5.574 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 23 61.724 6.102 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.047 4.542 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 23 63.725 3.028 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 23 61.970 3.180 1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 23 59.417 5.232 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 23 60.406 4.207 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 23 60.036 3.671 3.360 1.00 0.00 H new ATOM 372 N GLU A 24 64.284 3.395 5.789 1.00 0.00 N ATOM 373 CA GLU A 24 65.471 2.922 6.468 1.00 0.00 C ATOM 374 C GLU A 24 65.106 1.572 7.077 1.00 0.00 C ATOM 375 O GLU A 24 65.942 0.680 7.231 1.00 0.00 O ATOM 376 CB GLU A 24 65.894 3.903 7.567 1.00 0.00 C ATOM 377 CG GLU A 24 67.281 3.518 8.092 1.00 0.00 C ATOM 378 CD GLU A 24 67.518 4.147 9.461 1.00 0.00 C ATOM 379 OE1 GLU A 24 67.812 5.330 9.507 1.00 0.00 O ATOM 380 OE2 GLU A 24 67.403 3.436 10.446 1.00 0.00 O ATOM 0 H GLU A 24 63.928 4.301 6.093 1.00 0.00 H new ATOM 0 HA GLU A 24 66.309 2.834 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 24 65.912 4.920 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.169 3.888 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 24 67.363 2.433 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 24 68.048 3.851 7.393 1.00 0.00 H new ATOM 387 N ASN A 25 63.815 1.452 7.396 1.00 0.00 N ATOM 388 CA ASN A 25 63.245 0.236 7.970 1.00 0.00 C ATOM 389 C ASN A 25 63.016 -0.852 6.912 1.00 0.00 C ATOM 390 O ASN A 25 63.201 -2.037 7.183 1.00 0.00 O ATOM 391 CB ASN A 25 61.915 0.585 8.653 1.00 0.00 C ATOM 392 CG ASN A 25 61.914 0.125 10.111 1.00 0.00 C ATOM 393 OD1 ASN A 25 61.116 -0.733 10.489 1.00 0.00 O ATOM 394 ND2 ASN A 25 62.760 0.649 10.957 1.00 0.00 N ATOM 0 H ASN A 25 63.135 2.200 7.262 1.00 0.00 H new ATOM 0 HA ASN A 25 63.955 -0.163 8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.749 1.661 8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 25 61.092 0.112 8.118 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.760 0.347 11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 25 63.421 1.360 10.643 1.00 0.00 H new ATOM 401 N VAL A 26 62.561 -0.447 5.725 1.00 0.00 N ATOM 402 CA VAL A 26 62.253 -1.409 4.664 1.00 0.00 C ATOM 403 C VAL A 26 63.498 -2.036 4.024 1.00 0.00 C ATOM 404 O VAL A 26 63.551 -3.251 3.858 1.00 0.00 O ATOM 405 CB VAL A 26 61.402 -0.739 3.577 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.971 -1.789 2.550 1.00 0.00 C ATOM 407 CG2 VAL A 26 60.154 -0.109 4.210 1.00 0.00 C ATOM 0 H VAL A 26 62.399 0.529 5.475 1.00 0.00 H new ATOM 0 HA VAL A 26 61.700 -2.219 5.139 1.00 0.00 H new ATOM 0 HB VAL A 26 61.990 0.037 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 26 60.366 -1.315 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.854 -2.238 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.385 -2.563 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.553 0.366 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.566 -0.883 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.456 0.639 4.943 1.00 0.00 H new ATOM 417 N LYS A 27 64.486 -1.227 3.639 1.00 0.00 N ATOM 418 CA LYS A 27 65.682 -1.778 2.988 1.00 0.00 C ATOM 419 C LYS A 27 66.329 -2.827 3.867 1.00 0.00 C ATOM 420 O LYS A 27 66.758 -3.874 3.387 1.00 0.00 O ATOM 421 CB LYS A 27 66.716 -0.690 2.663 1.00 0.00 C ATOM 422 CG LYS A 27 66.147 0.678 2.997 1.00 0.00 C ATOM 423 CD LYS A 27 64.919 0.964 2.127 1.00 0.00 C ATOM 424 CE LYS A 27 65.324 0.994 0.657 1.00 0.00 C ATOM 425 NZ LYS A 27 66.719 1.499 0.537 1.00 0.00 N ATOM 0 H LYS A 27 64.488 -0.214 3.761 1.00 0.00 H new ATOM 0 HA LYS A 27 65.352 -2.228 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 27 67.630 -0.863 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 27 66.984 -0.734 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.873 0.719 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 27 66.904 1.445 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 27 64.160 0.198 2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 27 64.475 1.918 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.249 -0.005 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.644 1.634 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 66.910 1.760 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.840 2.334 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 67.384 0.756 0.833 1.00 0.00 H new ATOM 439 N ALA A 28 66.390 -2.545 5.154 1.00 0.00 N ATOM 440 CA ALA A 28 66.982 -3.487 6.075 1.00 0.00 C ATOM 441 C ALA A 28 66.273 -4.825 5.927 1.00 0.00 C ATOM 442 O ALA A 28 66.906 -5.880 5.944 1.00 0.00 O ATOM 443 CB ALA A 28 66.863 -2.959 7.501 1.00 0.00 C ATOM 0 H ALA A 28 66.042 -1.685 5.578 1.00 0.00 H new ATOM 0 HA ALA A 28 68.041 -3.619 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.311 -3.673 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.382 -2.004 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 28 65.811 -2.822 7.752 1.00 0.00 H new ATOM 449 N LYS A 29 64.959 -4.769 5.723 1.00 0.00 N ATOM 450 CA LYS A 29 64.193 -5.987 5.506 1.00 0.00 C ATOM 451 C LYS A 29 64.619 -6.576 4.163 1.00 0.00 C ATOM 452 O LYS A 29 64.743 -7.791 4.012 1.00 0.00 O ATOM 453 CB LYS A 29 62.677 -5.703 5.520 1.00 0.00 C ATOM 454 CG LYS A 29 62.127 -5.954 6.927 1.00 0.00 C ATOM 455 CD LYS A 29 60.714 -5.381 7.041 1.00 0.00 C ATOM 456 CE LYS A 29 60.216 -5.543 8.479 1.00 0.00 C ATOM 457 NZ LYS A 29 60.091 -6.994 8.797 1.00 0.00 N ATOM 0 H LYS A 29 64.413 -3.908 5.704 1.00 0.00 H new ATOM 0 HA LYS A 29 64.391 -6.696 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.486 -4.672 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.169 -6.343 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 29 62.113 -7.024 7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.778 -5.492 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.713 -4.328 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 29 60.044 -5.895 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.909 -5.066 9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.252 -5.048 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 59.093 -7.225 8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.435 -7.557 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 60.657 -7.214 9.641 1.00 0.00 H new ATOM 471 N ILE A 30 64.867 -5.687 3.193 1.00 0.00 N ATOM 472 CA ILE A 30 65.309 -6.116 1.870 1.00 0.00 C ATOM 473 C ILE A 30 66.713 -6.707 1.965 1.00 0.00 C ATOM 474 O ILE A 30 67.065 -7.625 1.226 1.00 0.00 O ATOM 475 CB ILE A 30 65.296 -4.939 0.885 1.00 0.00 C ATOM 476 CG1 ILE A 30 63.916 -4.270 0.888 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.603 -5.444 -0.526 1.00 0.00 C ATOM 478 CD1 ILE A 30 62.820 -5.324 0.715 1.00 0.00 C ATOM 0 H ILE A 30 64.769 -4.678 3.302 1.00 0.00 H new ATOM 0 HA ILE A 30 64.622 -6.877 1.501 1.00 0.00 H new ATOM 0 HB ILE A 30 66.052 -4.216 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 30 63.767 -3.730 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 30 63.857 -3.537 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.593 -4.606 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.586 -5.914 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 30 64.849 -6.172 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.844 -4.838 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.963 -5.845 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.872 -6.040 1.535 1.00 0.00 H new ATOM 490 N GLN A 31 67.504 -6.179 2.893 1.00 0.00 N ATOM 491 CA GLN A 31 68.864 -6.664 3.100 1.00 0.00 C ATOM 492 C GLN A 31 68.850 -8.076 3.691 1.00 0.00 C ATOM 493 O GLN A 31 69.743 -8.880 3.424 1.00 0.00 O ATOM 494 CB GLN A 31 69.622 -5.719 4.038 1.00 0.00 C ATOM 495 CG GLN A 31 71.110 -6.082 4.039 1.00 0.00 C ATOM 496 CD GLN A 31 71.779 -5.554 5.304 1.00 0.00 C ATOM 497 OE1 GLN A 31 72.343 -4.460 5.299 1.00 0.00 O ATOM 498 NE2 GLN A 31 71.753 -6.273 6.394 1.00 0.00 N ATOM 0 H GLN A 31 67.228 -5.417 3.512 1.00 0.00 H new ATOM 0 HA GLN A 31 69.368 -6.694 2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 31 69.489 -4.686 3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.219 -5.792 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 31 71.228 -7.164 3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.595 -5.660 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 31 71.285 -7.179 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 31 72.201 -5.928 7.243 1.00 0.00 H new ATOM 507 N ASP A 32 67.844 -8.357 4.519 1.00 0.00 N ATOM 508 CA ASP A 32 67.732 -9.661 5.176 1.00 0.00 C ATOM 509 C ASP A 32 67.648 -10.814 4.174 1.00 0.00 C ATOM 510 O ASP A 32 68.318 -11.835 4.342 1.00 0.00 O ATOM 511 CB ASP A 32 66.490 -9.676 6.068 1.00 0.00 C ATOM 512 CG ASP A 32 66.394 -11.005 6.809 1.00 0.00 C ATOM 513 OD1 ASP A 32 67.350 -11.762 6.755 1.00 0.00 O ATOM 514 OD2 ASP A 32 65.366 -11.245 7.418 1.00 0.00 O ATOM 0 H ASP A 32 67.097 -7.702 4.751 1.00 0.00 H new ATOM 0 HA ASP A 32 68.634 -9.806 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 32 66.536 -8.855 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 32 65.596 -9.522 5.463 1.00 0.00 H new ATOM 519 N LYS A 33 66.829 -10.661 3.140 1.00 0.00 N ATOM 520 CA LYS A 33 66.687 -11.720 2.143 1.00 0.00 C ATOM 521 C LYS A 33 67.964 -11.837 1.312 1.00 0.00 C ATOM 522 O LYS A 33 68.564 -12.907 1.220 1.00 0.00 O ATOM 523 CB LYS A 33 65.490 -11.422 1.240 1.00 0.00 C ATOM 524 CG LYS A 33 64.202 -11.410 2.081 1.00 0.00 C ATOM 525 CD LYS A 33 63.580 -12.809 2.105 1.00 0.00 C ATOM 526 CE LYS A 33 62.463 -12.852 3.150 1.00 0.00 C ATOM 527 NZ LYS A 33 61.433 -11.826 2.821 1.00 0.00 N ATOM 0 H LYS A 33 66.262 -9.831 2.970 1.00 0.00 H new ATOM 0 HA LYS A 33 66.518 -12.669 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 33 65.624 -10.459 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 33 65.417 -12.175 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 33 64.424 -11.084 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 33 63.493 -10.695 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 33 63.182 -13.059 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 33 64.341 -13.553 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 33 62.010 -13.843 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 33 62.872 -12.666 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.485 -12.216 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 61.578 -10.985 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 61.516 -11.560 1.819 1.00 0.00 H new ATOM 541 N GLU A 34 68.384 -10.716 0.738 1.00 0.00 N ATOM 542 CA GLU A 34 69.610 -10.667 -0.056 1.00 0.00 C ATOM 543 C GLU A 34 70.436 -9.487 0.424 1.00 0.00 C ATOM 544 O GLU A 34 69.887 -8.547 0.993 1.00 0.00 O ATOM 545 CB GLU A 34 69.282 -10.512 -1.543 1.00 0.00 C ATOM 546 CG GLU A 34 68.672 -11.814 -2.071 1.00 0.00 C ATOM 547 CD GLU A 34 67.923 -11.551 -3.374 1.00 0.00 C ATOM 548 OE1 GLU A 34 66.879 -10.922 -3.318 1.00 0.00 O ATOM 549 OE2 GLU A 34 68.406 -11.981 -4.408 1.00 0.00 O ATOM 0 H GLU A 34 67.893 -9.825 0.807 1.00 0.00 H new ATOM 0 HA GLU A 34 70.169 -11.595 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 34 68.585 -9.687 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 34 70.186 -10.269 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 69.457 -12.552 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 34 67.992 -12.233 -1.330 1.00 0.00 H new ATOM 556 N GLY A 35 71.749 -9.527 0.234 1.00 0.00 N ATOM 557 CA GLY A 35 72.565 -8.422 0.713 1.00 0.00 C ATOM 558 C GLY A 35 72.523 -7.243 -0.234 1.00 0.00 C ATOM 559 O GLY A 35 73.050 -7.285 -1.345 1.00 0.00 O ATOM 0 H GLY A 35 72.255 -10.281 -0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 35 72.214 -8.111 1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 35 73.596 -8.756 0.833 1.00 0.00 H new ATOM 563 N ILE A 36 71.951 -6.171 0.270 1.00 0.00 N ATOM 564 CA ILE A 36 71.884 -4.922 -0.448 1.00 0.00 C ATOM 565 C ILE A 36 71.841 -3.828 0.602 1.00 0.00 C ATOM 566 O ILE A 36 70.905 -3.772 1.399 1.00 0.00 O ATOM 567 CB ILE A 36 70.632 -4.866 -1.331 1.00 0.00 C ATOM 568 CG1 ILE A 36 70.585 -3.525 -2.083 1.00 0.00 C ATOM 569 CG2 ILE A 36 69.376 -5.003 -0.462 1.00 0.00 C ATOM 570 CD1 ILE A 36 71.641 -3.497 -3.194 1.00 0.00 C ATOM 0 H ILE A 36 71.518 -6.144 1.193 1.00 0.00 H new ATOM 0 HA ILE A 36 72.743 -4.805 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 36 70.668 -5.685 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.594 -3.376 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.759 -2.704 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 36 68.489 -4.962 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 36 69.401 -5.956 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.343 -4.188 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 36 71.594 -2.541 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 36 72.632 -3.624 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 36 71.449 -4.306 -3.899 1.00 0.00 H new ATOM 582 N PRO A 37 72.810 -2.971 0.642 1.00 0.00 N ATOM 583 CA PRO A 37 72.835 -1.885 1.643 1.00 0.00 C ATOM 584 C PRO A 37 71.781 -0.810 1.349 1.00 0.00 C ATOM 585 O PRO A 37 71.594 -0.419 0.198 1.00 0.00 O ATOM 586 CB PRO A 37 74.264 -1.331 1.574 1.00 0.00 C ATOM 587 CG PRO A 37 75.005 -2.124 0.540 1.00 0.00 C ATOM 588 CD PRO A 37 73.977 -2.943 -0.238 1.00 0.00 C ATOM 0 HA PRO A 37 72.586 -2.242 2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.253 -0.273 1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 37 74.754 -1.413 2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 37 75.553 -1.462 -0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 37 75.738 -2.778 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 37 73.743 -2.482 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.343 -3.948 -0.448 1.00 0.00 H new ATOM 596 N PRO A 38 71.089 -0.336 2.360 1.00 0.00 N ATOM 597 CA PRO A 38 70.034 0.704 2.194 1.00 0.00 C ATOM 598 C PRO A 38 70.521 1.878 1.344 1.00 0.00 C ATOM 599 O PRO A 38 69.754 2.468 0.582 1.00 0.00 O ATOM 600 CB PRO A 38 69.717 1.178 3.622 1.00 0.00 C ATOM 601 CG PRO A 38 70.604 0.407 4.545 1.00 0.00 C ATOM 602 CD PRO A 38 71.237 -0.738 3.759 1.00 0.00 C ATOM 0 HA PRO A 38 69.162 0.301 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.895 2.249 3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.668 1.005 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 38 71.376 1.056 4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.030 0.018 5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.285 -0.873 4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 38 70.733 -1.684 3.957 1.00 0.00 H new ATOM 610 N ASP A 39 71.798 2.222 1.500 1.00 0.00 N ATOM 611 CA ASP A 39 72.382 3.341 0.764 1.00 0.00 C ATOM 612 C ASP A 39 72.340 3.103 -0.743 1.00 0.00 C ATOM 613 O ASP A 39 72.338 4.054 -1.524 1.00 0.00 O ATOM 614 CB ASP A 39 73.834 3.551 1.200 1.00 0.00 C ATOM 615 CG ASP A 39 74.321 4.923 0.749 1.00 0.00 C ATOM 616 OD1 ASP A 39 73.551 5.624 0.115 1.00 0.00 O ATOM 617 OD2 ASP A 39 75.458 5.254 1.046 1.00 0.00 O ATOM 0 H ASP A 39 72.446 1.744 2.127 1.00 0.00 H new ATOM 0 HA ASP A 39 71.792 4.229 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 39 73.913 3.466 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 74.467 2.773 0.773 1.00 0.00 H new ATOM 622 N GLN A 40 72.319 1.838 -1.148 1.00 0.00 N ATOM 623 CA GLN A 40 72.293 1.503 -2.569 1.00 0.00 C ATOM 624 C GLN A 40 70.941 0.934 -2.982 1.00 0.00 C ATOM 625 O GLN A 40 70.792 0.441 -4.099 1.00 0.00 O ATOM 626 CB GLN A 40 73.390 0.486 -2.887 1.00 0.00 C ATOM 627 CG GLN A 40 74.736 1.002 -2.371 1.00 0.00 C ATOM 628 CD GLN A 40 75.876 0.331 -3.127 1.00 0.00 C ATOM 629 OE1 GLN A 40 76.441 -0.734 -2.628 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 76.262 0.787 -4.205 1.00 0.00 N flip ATOM 0 H GLN A 40 72.319 1.034 -0.520 1.00 0.00 H new ATOM 0 HA GLN A 40 72.466 2.421 -3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 40 73.156 -0.473 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.442 0.317 -3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 40 74.792 2.083 -2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 40 74.828 0.800 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 40 75.820 1.620 -4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 40 77.024 0.332 -4.708 1.00 0.00 H new ATOM 639 N GLN A 41 69.954 1.002 -2.087 1.00 0.00 N ATOM 640 CA GLN A 41 68.626 0.480 -2.407 1.00 0.00 C ATOM 641 C GLN A 41 67.594 1.606 -2.482 1.00 0.00 C ATOM 642 O GLN A 41 67.420 2.370 -1.533 1.00 0.00 O ATOM 643 CB GLN A 41 68.197 -0.548 -1.357 1.00 0.00 C ATOM 644 CG GLN A 41 66.836 -1.143 -1.736 1.00 0.00 C ATOM 645 CD GLN A 41 66.938 -1.911 -3.051 1.00 0.00 C ATOM 646 OE1 GLN A 41 66.715 -1.291 -4.179 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 67.229 -3.107 -3.051 1.00 0.00 N flip ATOM 0 H GLN A 41 70.045 1.404 -1.154 1.00 0.00 H new ATOM 0 HA GLN A 41 68.680 -0.001 -3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.943 -1.340 -1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.137 -0.076 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.490 -1.808 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 41 66.097 -0.347 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 41 67.403 -3.590 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 41 67.296 -3.615 -3.933 1.00 0.00 H new ATOM 656 N ARG A 42 66.905 1.692 -3.621 1.00 0.00 N ATOM 657 CA ARG A 42 65.874 2.711 -3.826 1.00 0.00 C ATOM 658 C ARG A 42 64.594 2.082 -4.384 1.00 0.00 C ATOM 659 O ARG A 42 64.652 1.275 -5.313 1.00 0.00 O ATOM 660 CB ARG A 42 66.382 3.790 -4.783 1.00 0.00 C ATOM 661 CG ARG A 42 67.100 3.141 -5.968 1.00 0.00 C ATOM 662 CD ARG A 42 67.753 4.232 -6.815 1.00 0.00 C ATOM 663 NE ARG A 42 68.685 5.007 -6.000 1.00 0.00 N ATOM 664 CZ ARG A 42 69.920 4.572 -5.767 1.00 0.00 C ATOM 665 NH1 ARG A 42 70.295 3.406 -6.212 1.00 0.00 N ATOM 666 NH2 ARG A 42 70.758 5.313 -5.095 1.00 0.00 N ATOM 0 H ARG A 42 67.042 1.068 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 42 65.646 3.166 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.548 4.394 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 42 67.062 4.462 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 42 67.854 2.439 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 42 66.393 2.571 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 42 68.280 3.783 -7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 42 66.988 4.888 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 42 68.384 5.897 -5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 42 69.641 2.827 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 42 71.242 3.072 -6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 42 70.466 6.227 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 42 71.705 4.979 -4.917 1.00 0.00 H new ATOM 680 N LEU A 43 63.441 2.457 -3.824 1.00 0.00 N ATOM 681 CA LEU A 43 62.159 1.915 -4.292 1.00 0.00 C ATOM 682 C LEU A 43 61.215 3.040 -4.728 1.00 0.00 C ATOM 683 O LEU A 43 61.377 4.194 -4.330 1.00 0.00 O ATOM 684 CB LEU A 43 61.483 1.094 -3.184 1.00 0.00 C ATOM 685 CG LEU A 43 62.533 0.347 -2.354 1.00 0.00 C ATOM 686 CD1 LEU A 43 61.869 -0.246 -1.109 1.00 0.00 C ATOM 687 CD2 LEU A 43 63.134 -0.784 -3.188 1.00 0.00 C ATOM 0 H LEU A 43 63.366 3.124 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 43 62.366 1.271 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 43 60.901 1.752 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 43 60.785 0.382 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 43 63.320 1.041 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.614 -0.778 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 43 61.436 0.556 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 43 61.084 -0.939 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 43 63.881 -1.315 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 43 62.346 -1.477 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 43 63.605 -0.369 -4.079 1.00 0.00 H new ATOM 699 N ILE A 44 60.221 2.688 -5.551 1.00 0.00 N ATOM 700 CA ILE A 44 59.241 3.664 -6.040 1.00 0.00 C ATOM 701 C ILE A 44 57.829 3.082 -5.960 1.00 0.00 C ATOM 702 O ILE A 44 57.629 1.888 -6.183 1.00 0.00 O ATOM 703 CB ILE A 44 59.557 4.043 -7.491 1.00 0.00 C ATOM 704 CG1 ILE A 44 60.862 4.838 -7.535 1.00 0.00 C ATOM 705 CG2 ILE A 44 58.426 4.907 -8.058 1.00 0.00 C ATOM 706 CD1 ILE A 44 61.355 4.937 -8.980 1.00 0.00 C ATOM 0 H ILE A 44 60.074 1.738 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 44 59.296 4.555 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 44 59.656 3.135 -8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 44 60.706 5.836 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.616 4.353 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 44 58.655 5.174 -9.090 1.00 0.00 H new ATOM 0 HG22 ILE A 44 57.491 4.348 -8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 44 58.327 5.814 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.285 5.504 -9.009 1.00 0.00 H new ATOM 0 HD12 ILE A 44 61.528 3.936 -9.375 1.00 0.00 H new ATOM 0 HD13 ILE A 44 60.603 5.442 -9.587 1.00 0.00 H new ATOM 718 N PHE A 45 56.849 3.929 -5.637 1.00 0.00 N ATOM 719 CA PHE A 45 55.459 3.477 -5.531 1.00 0.00 C ATOM 720 C PHE A 45 54.492 4.560 -6.016 1.00 0.00 C ATOM 721 O PHE A 45 54.559 5.709 -5.581 1.00 0.00 O ATOM 722 CB PHE A 45 55.141 3.106 -4.075 1.00 0.00 C ATOM 723 CG PHE A 45 53.653 3.210 -3.826 1.00 0.00 C ATOM 724 CD1 PHE A 45 52.806 2.151 -4.175 1.00 0.00 C ATOM 725 CD2 PHE A 45 53.125 4.366 -3.241 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.429 2.250 -3.941 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.750 4.465 -3.005 1.00 0.00 C ATOM 728 CZ PHE A 45 50.902 3.407 -3.354 1.00 0.00 C ATOM 0 H PHE A 45 56.989 4.921 -5.446 1.00 0.00 H new ATOM 0 HA PHE A 45 55.335 2.599 -6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.483 2.092 -3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.678 3.769 -3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.215 1.258 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.779 5.182 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 45 50.774 1.435 -4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 45 51.342 5.357 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.840 3.483 -3.170 1.00 0.00 H new ATOM 738 N ALA A 46 53.586 4.174 -6.917 1.00 0.00 N ATOM 739 CA ALA A 46 52.597 5.108 -7.455 1.00 0.00 C ATOM 740 C ALA A 46 53.260 6.411 -7.889 1.00 0.00 C ATOM 741 O ALA A 46 52.767 7.497 -7.585 1.00 0.00 O ATOM 742 CB ALA A 46 51.526 5.407 -6.403 1.00 0.00 C ATOM 0 H ALA A 46 53.517 3.226 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 46 52.133 4.644 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 46 50.796 6.103 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.025 4.481 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.993 5.850 -5.524 1.00 0.00 H new ATOM 748 N GLY A 47 54.380 6.298 -8.594 1.00 0.00 N ATOM 749 CA GLY A 47 55.100 7.479 -9.054 1.00 0.00 C ATOM 750 C GLY A 47 55.812 8.159 -7.891 1.00 0.00 C ATOM 751 O GLY A 47 56.760 8.920 -8.086 1.00 0.00 O ATOM 0 H GLY A 47 54.806 5.409 -8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 47 55.826 7.195 -9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 47 54.405 8.177 -9.520 1.00 0.00 H new ATOM 755 N LYS A 48 55.351 7.871 -6.679 1.00 0.00 N ATOM 756 CA LYS A 48 55.953 8.450 -5.487 1.00 0.00 C ATOM 757 C LYS A 48 57.255 7.725 -5.167 1.00 0.00 C ATOM 758 O LYS A 48 57.276 6.503 -5.026 1.00 0.00 O ATOM 759 CB LYS A 48 54.982 8.342 -4.304 1.00 0.00 C ATOM 760 CG LYS A 48 55.119 9.577 -3.405 1.00 0.00 C ATOM 761 CD LYS A 48 54.119 9.487 -2.238 1.00 0.00 C ATOM 762 CE LYS A 48 52.958 10.460 -2.475 1.00 0.00 C ATOM 763 NZ LYS A 48 52.211 10.054 -3.698 1.00 0.00 N ATOM 0 H LYS A 48 54.567 7.244 -6.498 1.00 0.00 H new ATOM 0 HA LYS A 48 56.168 9.503 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 48 53.958 8.258 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.191 7.439 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.136 9.646 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 48 54.935 10.482 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 48 53.740 8.469 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 48 54.619 9.724 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 48 52.291 10.464 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 48 53.338 11.475 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 51.323 10.592 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 52.790 10.249 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 51.997 9.037 -3.653 1.00 0.00 H new ATOM 777 N GLN A 49 58.342 8.479 -5.072 1.00 0.00 N ATOM 778 CA GLN A 49 59.640 7.884 -4.789 1.00 0.00 C ATOM 779 C GLN A 49 59.820 7.630 -3.298 1.00 0.00 C ATOM 780 O GLN A 49 59.757 8.554 -2.486 1.00 0.00 O ATOM 781 CB GLN A 49 60.755 8.808 -5.285 1.00 0.00 C ATOM 782 CG GLN A 49 62.121 8.144 -5.055 1.00 0.00 C ATOM 783 CD GLN A 49 63.101 8.565 -6.146 1.00 0.00 C ATOM 784 OE1 GLN A 49 64.189 9.058 -5.847 1.00 0.00 O ATOM 785 NE2 GLN A 49 62.780 8.397 -7.398 1.00 0.00 N ATOM 0 H GLN A 49 58.351 9.493 -5.185 1.00 0.00 H new ATOM 0 HA GLN A 49 59.691 6.928 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 49 60.618 9.022 -6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 49 60.711 9.762 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 49 62.511 8.426 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 49 62.011 7.060 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 49 61.878 7.988 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 49 63.431 8.674 -8.133 1.00 0.00 H new ATOM 794 N LEU A 50 60.075 6.373 -2.948 1.00 0.00 N ATOM 795 CA LEU A 50 60.300 6.012 -1.557 1.00 0.00 C ATOM 796 C LEU A 50 61.726 6.444 -1.190 1.00 0.00 C ATOM 797 O LEU A 50 62.699 6.040 -1.826 1.00 0.00 O ATOM 798 CB LEU A 50 60.056 4.505 -1.375 1.00 0.00 C ATOM 799 CG LEU A 50 58.541 4.226 -1.477 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.277 2.718 -1.399 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.806 4.932 -0.339 1.00 0.00 C ATOM 0 H LEU A 50 60.130 5.594 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 50 59.608 6.518 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.595 3.942 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.435 4.176 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 50 58.177 4.604 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.205 2.532 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 50 58.789 2.216 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.648 2.332 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.737 4.731 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 50 58.176 4.563 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 50 57.979 6.006 -0.405 1.00 0.00 H new ATOM 813 N GLU A 51 61.808 7.366 -0.230 1.00 0.00 N ATOM 814 CA GLU A 51 63.077 7.993 0.165 1.00 0.00 C ATOM 815 C GLU A 51 63.842 7.342 1.327 1.00 0.00 C ATOM 816 O GLU A 51 63.582 6.228 1.764 1.00 0.00 O ATOM 817 CB GLU A 51 62.811 9.460 0.512 1.00 0.00 C ATOM 818 CG GLU A 51 61.934 10.091 -0.575 1.00 0.00 C ATOM 819 CD GLU A 51 62.180 11.596 -0.643 1.00 0.00 C ATOM 820 OE1 GLU A 51 62.757 12.126 0.291 1.00 0.00 O ATOM 821 OE2 GLU A 51 61.789 12.196 -1.631 1.00 0.00 O ATOM 0 H GLU A 51 61.001 7.701 0.296 1.00 0.00 H new ATOM 0 HA GLU A 51 63.729 7.863 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 51 62.316 9.532 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.753 10.002 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.154 9.635 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 51 60.883 9.896 -0.363 1.00 0.00 H new ATOM 828 N ASP A 52 64.825 8.128 1.760 1.00 0.00 N ATOM 829 CA ASP A 52 65.782 7.841 2.838 1.00 0.00 C ATOM 830 C ASP A 52 65.176 7.288 4.123 1.00 0.00 C ATOM 831 O ASP A 52 65.875 7.208 5.132 1.00 0.00 O ATOM 832 CB ASP A 52 66.554 9.112 3.179 1.00 0.00 C ATOM 833 CG ASP A 52 65.611 10.149 3.780 1.00 0.00 C ATOM 834 OD1 ASP A 52 64.994 10.873 3.015 1.00 0.00 O ATOM 835 OD2 ASP A 52 65.519 10.203 4.994 1.00 0.00 O ATOM 0 H ASP A 52 64.989 9.044 1.343 1.00 0.00 H new ATOM 0 HA ASP A 52 66.424 7.053 2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.354 8.884 3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.025 9.513 2.282 1.00 0.00 H new ATOM 840 N GLY A 53 63.896 6.975 4.137 1.00 0.00 N ATOM 841 CA GLY A 53 63.270 6.520 5.375 1.00 0.00 C ATOM 842 C GLY A 53 62.150 7.442 5.824 1.00 0.00 C ATOM 843 O GLY A 53 61.948 7.674 7.017 1.00 0.00 O ATOM 0 H GLY A 53 63.276 7.023 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 53 62.875 5.514 5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 53 64.024 6.458 6.160 1.00 0.00 H new ATOM 847 N ARG A 54 61.342 7.847 4.839 1.00 0.00 N ATOM 848 CA ARG A 54 60.138 8.607 5.115 1.00 0.00 C ATOM 849 C ARG A 54 59.130 7.543 5.478 1.00 0.00 C ATOM 850 O ARG A 54 59.277 6.407 5.028 1.00 0.00 O ATOM 851 CB ARG A 54 59.646 9.366 3.871 1.00 0.00 C ATOM 852 CG ARG A 54 60.373 10.708 3.769 1.00 0.00 C ATOM 853 CD ARG A 54 59.869 11.475 2.543 1.00 0.00 C ATOM 854 NE ARG A 54 60.215 12.891 2.653 1.00 0.00 N ATOM 855 CZ ARG A 54 61.048 13.470 1.792 1.00 0.00 C ATOM 856 NH1 ARG A 54 60.712 13.592 0.536 1.00 0.00 N ATOM 857 NH2 ARG A 54 62.204 13.913 2.202 1.00 0.00 N ATOM 0 H ARG A 54 61.506 7.658 3.850 1.00 0.00 H new ATOM 0 HA ARG A 54 60.299 9.357 5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 54 59.828 8.773 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.570 9.528 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 54 60.203 11.294 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 54 61.448 10.545 3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 54 60.308 11.056 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 54 58.788 11.363 2.455 1.00 0.00 H new ATOM 0 HE ARG A 54 59.809 13.447 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 54 59.809 13.243 0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 54 61.352 14.036 -0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 54 62.469 13.816 3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 54 62.843 14.357 1.543 1.00 0.00 H new ATOM 871 N THR A 55 58.125 7.833 6.286 1.00 0.00 N ATOM 872 CA THR A 55 57.216 6.752 6.616 1.00 0.00 C ATOM 873 C THR A 55 56.249 6.513 5.461 1.00 0.00 C ATOM 874 O THR A 55 55.783 7.446 4.812 1.00 0.00 O ATOM 875 CB THR A 55 56.462 7.111 7.900 1.00 0.00 C ATOM 876 OG1 THR A 55 57.058 6.440 8.998 1.00 0.00 O ATOM 877 CG2 THR A 55 54.991 6.710 7.803 1.00 0.00 C ATOM 0 H THR A 55 57.925 8.743 6.701 1.00 0.00 H new ATOM 0 HA THR A 55 57.775 5.831 6.780 1.00 0.00 H new ATOM 0 HB THR A 55 56.518 8.190 8.042 1.00 0.00 H new ATOM 0 HG1 THR A 55 56.578 6.670 9.821 1.00 0.00 H new ATOM 0 HG21 THR A 55 54.480 6.976 8.728 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.526 7.233 6.967 1.00 0.00 H new ATOM 0 HG23 THR A 55 54.917 5.634 7.644 1.00 0.00 H new ATOM 885 N LEU A 56 55.962 5.238 5.233 1.00 0.00 N ATOM 886 CA LEU A 56 55.055 4.806 4.179 1.00 0.00 C ATOM 887 C LEU A 56 53.592 5.023 4.528 1.00 0.00 C ATOM 888 O LEU A 56 52.760 5.233 3.643 1.00 0.00 O ATOM 889 CB LEU A 56 55.331 3.353 3.818 1.00 0.00 C ATOM 890 CG LEU A 56 56.053 3.314 2.463 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.349 4.112 2.562 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.381 1.870 2.059 1.00 0.00 C ATOM 0 H LEU A 56 56.355 4.470 5.778 1.00 0.00 H new ATOM 0 HA LEU A 56 55.248 5.432 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.943 2.882 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.398 2.792 3.766 1.00 0.00 H new ATOM 0 HG LEU A 56 55.398 3.747 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.866 4.087 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.121 5.145 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 56 57.988 3.675 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 56 56.892 1.869 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 56 57.026 1.419 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.458 1.296 1.981 1.00 0.00 H new ATOM 904 N SER A 57 53.265 4.947 5.807 1.00 0.00 N ATOM 905 CA SER A 57 51.882 5.117 6.208 1.00 0.00 C ATOM 906 C SER A 57 51.393 6.422 5.622 1.00 0.00 C ATOM 907 O SER A 57 50.227 6.561 5.254 1.00 0.00 O ATOM 908 CB SER A 57 51.765 5.148 7.731 1.00 0.00 C ATOM 909 OG SER A 57 50.490 5.660 8.094 1.00 0.00 O ATOM 0 H SER A 57 53.921 4.773 6.568 1.00 0.00 H new ATOM 0 HA SER A 57 51.280 4.284 5.846 1.00 0.00 H new ATOM 0 HB2 SER A 57 51.896 4.145 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.553 5.770 8.155 1.00 0.00 H new ATOM 0 HG SER A 57 50.411 5.680 9.071 1.00 0.00 H new ATOM 915 N ASP A 58 52.328 7.364 5.482 1.00 0.00 N ATOM 916 CA ASP A 58 52.033 8.653 4.871 1.00 0.00 C ATOM 917 C ASP A 58 51.870 8.468 3.360 1.00 0.00 C ATOM 918 O ASP A 58 51.145 9.215 2.702 1.00 0.00 O ATOM 919 CB ASP A 58 53.163 9.651 5.157 1.00 0.00 C ATOM 920 CG ASP A 58 52.624 11.080 5.117 1.00 0.00 C ATOM 921 OD1 ASP A 58 51.937 11.460 6.052 1.00 0.00 O ATOM 922 OD2 ASP A 58 52.905 11.772 4.152 1.00 0.00 O ATOM 0 H ASP A 58 53.296 7.254 5.785 1.00 0.00 H new ATOM 0 HA ASP A 58 51.109 9.047 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.601 9.446 6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 58 53.958 9.533 4.421 1.00 0.00 H new ATOM 927 N TYR A 59 52.563 7.456 2.822 1.00 0.00 N ATOM 928 CA TYR A 59 52.504 7.158 1.389 1.00 0.00 C ATOM 929 C TYR A 59 51.228 6.392 1.077 1.00 0.00 C ATOM 930 O TYR A 59 51.017 5.944 -0.050 1.00 0.00 O ATOM 931 CB TYR A 59 53.720 6.332 0.963 1.00 0.00 C ATOM 932 CG TYR A 59 54.898 7.240 0.820 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.335 7.973 1.920 1.00 0.00 C ATOM 934 CD2 TYR A 59 55.546 7.359 -0.410 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.432 8.832 1.796 1.00 0.00 C ATOM 936 CE2 TYR A 59 56.645 8.219 -0.538 1.00 0.00 C ATOM 937 CZ TYR A 59 57.086 8.957 0.566 1.00 0.00 C ATOM 938 OH TYR A 59 58.168 9.805 0.443 1.00 0.00 O ATOM 0 H TYR A 59 53.168 6.833 3.357 1.00 0.00 H new ATOM 0 HA TYR A 59 52.509 8.097 0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 59 53.928 5.559 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.519 5.825 0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 59 54.827 7.878 2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 59 55.202 6.790 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 59 56.774 9.398 2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 59 57.151 8.312 -1.488 1.00 0.00 H new ATOM 0 HH TYR A 59 58.506 9.773 -0.476 1.00 0.00 H new ATOM 948 N ASN A 60 50.374 6.254 2.087 1.00 0.00 N ATOM 949 CA ASN A 60 49.111 5.554 1.914 1.00 0.00 C ATOM 950 C ASN A 60 49.341 4.181 1.286 1.00 0.00 C ATOM 951 O ASN A 60 48.628 3.789 0.363 1.00 0.00 O ATOM 952 CB ASN A 60 48.180 6.380 1.023 1.00 0.00 C ATOM 953 CG ASN A 60 47.845 7.708 1.699 1.00 0.00 C ATOM 954 OD1 ASN A 60 48.126 8.772 1.149 1.00 0.00 O ATOM 955 ND2 ASN A 60 47.262 7.711 2.867 1.00 0.00 N ATOM 0 H ASN A 60 50.534 6.616 3.027 1.00 0.00 H new ATOM 0 HA ASN A 60 48.651 5.417 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.655 6.564 0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 60 47.264 5.823 0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 60 47.039 8.596 3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 60 47.029 6.829 3.323 1.00 0.00 H new ATOM 962 N ILE A 61 50.344 3.455 1.779 1.00 0.00 N ATOM 963 CA ILE A 61 50.646 2.137 1.230 1.00 0.00 C ATOM 964 C ILE A 61 49.492 1.168 1.463 1.00 0.00 C ATOM 965 O ILE A 61 48.831 1.174 2.500 1.00 0.00 O ATOM 966 CB ILE A 61 51.927 1.569 1.821 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.095 2.497 1.499 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.201 0.187 1.227 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.161 2.786 -0.007 1.00 0.00 C ATOM 0 H ILE A 61 50.950 3.751 2.544 1.00 0.00 H new ATOM 0 HA ILE A 61 50.788 2.261 0.156 1.00 0.00 H new ATOM 0 HB ILE A 61 51.815 1.484 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 61 52.985 3.432 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.029 2.041 1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 61 53.120 -0.216 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.370 -0.480 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.309 0.271 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.001 3.449 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.294 1.851 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.235 3.263 -0.327 1.00 0.00 H new ATOM 981 N GLN A 62 49.241 0.388 0.419 1.00 0.00 N ATOM 982 CA GLN A 62 48.142 -0.568 0.368 1.00 0.00 C ATOM 983 C GLN A 62 48.566 -1.997 0.736 1.00 0.00 C ATOM 984 O GLN A 62 49.723 -2.278 1.042 1.00 0.00 O ATOM 985 CB GLN A 62 47.584 -0.538 -1.066 1.00 0.00 C ATOM 986 CG GLN A 62 46.507 -1.607 -1.279 1.00 0.00 C ATOM 987 CD GLN A 62 45.775 -1.346 -2.591 1.00 0.00 C ATOM 988 OE1 GLN A 62 46.389 -0.926 -3.572 1.00 0.00 O ATOM 989 NE2 GLN A 62 44.494 -1.575 -2.670 1.00 0.00 N ATOM 0 H GLN A 62 49.805 0.402 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 62 47.392 -0.281 1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 62 47.165 0.447 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 62 48.396 -0.694 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 62 46.962 -2.597 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 62 45.801 -1.596 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 62 43.987 -1.923 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 62 43.999 -1.406 -3.546 1.00 0.00 H new ATOM 998 N LYS A 63 47.559 -2.858 0.681 1.00 0.00 N ATOM 999 CA LYS A 63 47.619 -4.295 0.957 1.00 0.00 C ATOM 1000 C LYS A 63 48.828 -5.027 0.356 1.00 0.00 C ATOM 1001 O LYS A 63 48.694 -6.189 -0.020 1.00 0.00 O ATOM 1002 CB LYS A 63 46.329 -4.969 0.484 1.00 0.00 C ATOM 1003 CG LYS A 63 46.055 -6.227 1.327 1.00 0.00 C ATOM 1004 CD LYS A 63 44.560 -6.570 1.283 1.00 0.00 C ATOM 1005 CE LYS A 63 44.237 -7.341 -0.003 1.00 0.00 C ATOM 1006 NZ LYS A 63 42.872 -6.970 -0.471 1.00 0.00 N ATOM 0 H LYS A 63 46.618 -2.557 0.427 1.00 0.00 H new ATOM 0 HA LYS A 63 47.737 -4.373 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 63 45.493 -4.274 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.414 -5.238 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.640 -7.064 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.369 -6.060 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 63 44.290 -7.168 2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 63 43.967 -5.656 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 63 44.973 -7.110 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 63 44.292 -8.414 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 42.650 -7.491 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 42.176 -7.211 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 42.836 -5.948 -0.660 1.00 0.00 H new ATOM 1020 N GLU A 64 49.968 -4.353 0.209 1.00 0.00 N ATOM 1021 CA GLU A 64 51.155 -4.962 -0.416 1.00 0.00 C ATOM 1022 C GLU A 64 51.215 -4.714 -1.912 1.00 0.00 C ATOM 1023 O GLU A 64 51.372 -5.626 -2.721 1.00 0.00 O ATOM 1024 CB GLU A 64 51.196 -6.483 -0.192 1.00 0.00 C ATOM 1025 CG GLU A 64 51.064 -6.824 1.296 1.00 0.00 C ATOM 1026 CD GLU A 64 50.332 -8.151 1.461 1.00 0.00 C ATOM 1027 OE1 GLU A 64 50.545 -9.029 0.641 1.00 0.00 O ATOM 1028 OE2 GLU A 64 49.567 -8.270 2.405 1.00 0.00 O ATOM 0 H GLU A 64 50.101 -3.388 0.511 1.00 0.00 H new ATOM 0 HA GLU A 64 52.010 -4.486 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 64 50.389 -6.958 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 64 52.132 -6.886 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 64 52.052 -6.884 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 64 50.521 -6.033 1.813 1.00 0.00 H new ATOM 1035 N SER A 65 51.136 -3.435 -2.242 1.00 0.00 N ATOM 1036 CA SER A 65 51.235 -2.969 -3.615 1.00 0.00 C ATOM 1037 C SER A 65 52.596 -3.326 -4.206 1.00 0.00 C ATOM 1038 O SER A 65 53.566 -3.528 -3.475 1.00 0.00 O ATOM 1039 CB SER A 65 51.088 -1.462 -3.648 1.00 0.00 C ATOM 1040 OG SER A 65 52.302 -0.860 -3.218 1.00 0.00 O ATOM 0 H SER A 65 51.001 -2.688 -1.561 1.00 0.00 H new ATOM 0 HA SER A 65 50.447 -3.447 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 65 50.843 -1.131 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 65 50.266 -1.151 -3.002 1.00 0.00 H new ATOM 0 HG SER A 65 52.312 0.083 -3.485 1.00 0.00 H new ATOM 1046 N THR A 66 52.663 -3.400 -5.531 1.00 0.00 N ATOM 1047 CA THR A 66 53.912 -3.734 -6.206 1.00 0.00 C ATOM 1048 C THR A 66 54.786 -2.488 -6.345 1.00 0.00 C ATOM 1049 O THR A 66 54.342 -1.457 -6.851 1.00 0.00 O ATOM 1050 CB THR A 66 53.612 -4.295 -7.599 1.00 0.00 C ATOM 1051 OG1 THR A 66 52.583 -5.271 -7.506 1.00 0.00 O ATOM 1052 CG2 THR A 66 54.875 -4.930 -8.183 1.00 0.00 C ATOM 0 H THR A 66 51.873 -3.235 -6.155 1.00 0.00 H new ATOM 0 HA THR A 66 54.441 -4.481 -5.614 1.00 0.00 H new ATOM 0 HB THR A 66 53.285 -3.486 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 66 52.688 -5.779 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 66 54.657 -5.328 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 66 55.659 -4.177 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 66 55.210 -5.738 -7.533 1.00 0.00 H new ATOM 1060 N LEU A 67 56.028 -2.593 -5.875 1.00 0.00 N ATOM 1061 CA LEU A 67 56.968 -1.473 -5.928 1.00 0.00 C ATOM 1062 C LEU A 67 57.900 -1.629 -7.130 1.00 0.00 C ATOM 1063 O LEU A 67 58.373 -2.728 -7.418 1.00 0.00 O ATOM 1064 CB LEU A 67 57.790 -1.428 -4.623 1.00 0.00 C ATOM 1065 CG LEU A 67 57.072 -0.574 -3.567 1.00 0.00 C ATOM 1066 CD1 LEU A 67 55.719 -1.201 -3.189 1.00 0.00 C ATOM 1067 CD2 LEU A 67 57.949 -0.480 -2.313 1.00 0.00 C ATOM 0 H LEU A 67 56.407 -3.441 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 67 56.412 -0.541 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 67 57.937 -2.439 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.779 -1.015 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 67 56.896 0.419 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 67 55.227 -0.581 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 67 55.089 -1.268 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 67 55.881 -2.200 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 67 57.444 0.125 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 67 58.125 -1.480 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 67 58.903 -0.018 -2.570 1.00 0.00 H new ATOM 1079 N HIS A 68 58.152 -0.527 -7.834 1.00 0.00 N ATOM 1080 CA HIS A 68 59.017 -0.568 -9.013 1.00 0.00 C ATOM 1081 C HIS A 68 60.470 -0.278 -8.645 1.00 0.00 C ATOM 1082 O HIS A 68 60.757 0.626 -7.859 1.00 0.00 O ATOM 1083 CB HIS A 68 58.542 0.459 -10.043 1.00 0.00 C ATOM 1084 CG HIS A 68 57.338 -0.077 -10.770 1.00 0.00 C ATOM 1085 ND1 HIS A 68 57.205 -1.418 -11.088 1.00 0.00 N ATOM 1086 CD2 HIS A 68 56.207 0.537 -11.248 1.00 0.00 C ATOM 1087 CE1 HIS A 68 56.032 -1.568 -11.730 1.00 0.00 C ATOM 1088 NE2 HIS A 68 55.383 -0.408 -11.854 1.00 0.00 N ATOM 0 H HIS A 68 57.775 0.395 -7.613 1.00 0.00 H new ATOM 0 HA HIS A 68 58.961 -1.571 -9.435 1.00 0.00 H new ATOM 0 HB2 HIS A 68 58.293 1.398 -9.548 1.00 0.00 H new ATOM 0 HB3 HIS A 68 59.341 0.675 -10.752 1.00 0.00 H new ATOM 0 HD2 HIS A 68 55.990 1.592 -11.167 1.00 0.00 H new ATOM 0 HE1 HIS A 68 55.661 -2.512 -12.100 1.00 0.00 H new ATOM 0 HE2 HIS A 68 54.478 -0.248 -12.297 1.00 0.00 H new ATOM 1096 N LEU A 69 61.380 -1.052 -9.232 1.00 0.00 N ATOM 1097 CA LEU A 69 62.809 -0.885 -8.982 1.00 0.00 C ATOM 1098 C LEU A 69 63.548 -0.600 -10.287 1.00 0.00 C ATOM 1099 O LEU A 69 62.994 -0.766 -11.374 1.00 0.00 O ATOM 1100 CB LEU A 69 63.382 -2.151 -8.337 1.00 0.00 C ATOM 1101 CG LEU A 69 62.839 -2.307 -6.906 1.00 0.00 C ATOM 1102 CD1 LEU A 69 61.495 -3.048 -6.929 1.00 0.00 C ATOM 1103 CD2 LEU A 69 63.843 -3.102 -6.067 1.00 0.00 C ATOM 0 H LEU A 69 61.152 -1.802 -9.885 1.00 0.00 H new ATOM 0 HA LEU A 69 62.944 -0.041 -8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.116 -3.024 -8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.471 -2.098 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 69 62.693 -1.319 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 69 61.120 -3.153 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 69 60.778 -2.482 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 69 61.632 -4.036 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 69 63.461 -3.214 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.989 -4.087 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.795 -2.572 -6.040 1.00 0.00 H new