USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= -0.346 K(o=-0.35,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0721 (180deg=0) USER MOD Single : A 2 SER OG : rot -150:sc= -0.798 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -178:sc= 0 (180deg=-0.0181) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 1.09 K(o=1.1,f=-0.51) USER MOD Single : A 21 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.012) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -3.74 K(o=-3.7,f=-7.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.77) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 120:sc= 0.264 USER MOD Single : A 33 CYS SG : rot -23:sc= 0.00781 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.028 K(o=-0.028,f=-2.4!) USER MOD Single : A 46 THR OG1 : rot 83:sc= 0.86 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.00374 X(o=0.0037,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.11 USER MOD Single : A 71 THR OG1 : rot -83:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.075 -13.367 -6.997 1.00 0.00 N ATOM 2 CA GLY A 1 -5.579 -12.228 -7.817 1.00 0.00 C ATOM 3 C GLY A 1 -6.425 -10.981 -7.651 1.00 0.00 C ATOM 4 O GLY A 1 -7.423 -10.992 -6.932 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.333 -13.664 -6.331 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.919 -13.071 -6.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.320 -14.163 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.549 -12.004 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.568 -12.518 -8.868 1.00 0.00 H new ATOM 10 N SER A 2 -6.026 -9.904 -8.320 1.00 0.00 N ATOM 11 CA SER A 2 -6.755 -8.644 -8.244 1.00 0.00 C ATOM 12 C SER A 2 -6.620 -7.858 -9.544 1.00 0.00 C ATOM 13 O SER A 2 -7.575 -7.743 -10.313 1.00 0.00 O ATOM 14 CB SER A 2 -6.243 -7.804 -7.072 1.00 0.00 C ATOM 15 OG SER A 2 -6.806 -6.504 -7.092 1.00 0.00 O ATOM 0 H SER A 2 -5.202 -9.879 -8.921 1.00 0.00 H new ATOM 0 HA SER A 2 -7.809 -8.872 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.491 -8.297 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.156 -7.734 -7.118 1.00 0.00 H new ATOM 0 HG SER A 2 -6.175 -5.868 -6.694 1.00 0.00 H new ATOM 21 N GLU A 3 -5.429 -7.319 -9.784 1.00 0.00 N ATOM 22 CA GLU A 3 -5.170 -6.544 -10.992 1.00 0.00 C ATOM 23 C GLU A 3 -6.085 -5.327 -11.065 1.00 0.00 C ATOM 24 O GLU A 3 -6.509 -4.919 -12.147 1.00 0.00 O ATOM 25 CB GLU A 3 -5.362 -7.416 -12.234 1.00 0.00 C ATOM 26 CG GLU A 3 -4.728 -6.837 -13.488 1.00 0.00 C ATOM 27 CD GLU A 3 -3.219 -6.722 -13.379 1.00 0.00 C ATOM 28 OE1 GLU A 3 -2.523 -7.694 -13.740 1.00 0.00 O ATOM 29 OE2 GLU A 3 -2.736 -5.661 -12.931 1.00 0.00 O ATOM 0 H GLU A 3 -4.628 -7.405 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.137 -6.197 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.938 -8.402 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.429 -7.556 -12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.980 -7.466 -14.342 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.151 -5.851 -13.683 1.00 0.00 H new ATOM 36 N GLY A 4 -6.389 -4.749 -9.906 1.00 0.00 N ATOM 37 CA GLY A 4 -7.252 -3.584 -9.861 1.00 0.00 C ATOM 38 C GLY A 4 -8.356 -3.719 -8.830 1.00 0.00 C ATOM 39 O GLY A 4 -9.513 -3.952 -9.178 1.00 0.00 O ATOM 0 H GLY A 4 -6.052 -5.068 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.654 -2.701 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.695 -3.426 -10.844 1.00 0.00 H new ATOM 43 N ALA A 5 -7.997 -3.572 -7.559 1.00 0.00 N ATOM 44 CA ALA A 5 -8.965 -3.679 -6.475 1.00 0.00 C ATOM 45 C ALA A 5 -9.520 -2.309 -6.098 1.00 0.00 C ATOM 46 O ALA A 5 -9.578 -1.953 -4.920 1.00 0.00 O ATOM 47 CB ALA A 5 -8.329 -4.347 -5.265 1.00 0.00 C ATOM 0 H ALA A 5 -7.043 -3.378 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.796 -4.295 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.063 -4.421 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.988 -5.346 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.480 -3.754 -4.926 1.00 0.00 H new ATOM 53 N ALA A 6 -9.927 -1.543 -7.105 1.00 0.00 N ATOM 54 CA ALA A 6 -10.476 -0.212 -6.880 1.00 0.00 C ATOM 55 C ALA A 6 -9.461 0.690 -6.189 1.00 0.00 C ATOM 56 O ALA A 6 -8.359 0.256 -5.851 1.00 0.00 O ATOM 57 CB ALA A 6 -11.752 -0.302 -6.056 1.00 0.00 C ATOM 0 H ALA A 6 -9.887 -1.822 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.712 0.227 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.152 0.699 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.487 -0.905 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.532 -0.764 -5.094 1.00 0.00 H new ATOM 63 N THR A 7 -9.836 1.948 -5.982 1.00 0.00 N ATOM 64 CA THR A 7 -8.955 2.910 -5.331 1.00 0.00 C ATOM 65 C THR A 7 -9.275 3.030 -3.843 1.00 0.00 C ATOM 66 O THR A 7 -8.949 4.034 -3.209 1.00 0.00 O ATOM 67 CB THR A 7 -9.078 4.279 -6.001 1.00 0.00 C ATOM 68 OG1 THR A 7 -10.415 4.743 -5.952 1.00 0.00 O ATOM 69 CG2 THR A 7 -8.645 4.276 -7.452 1.00 0.00 C ATOM 0 H THR A 7 -10.744 2.325 -6.256 1.00 0.00 H new ATOM 0 HA THR A 7 -7.931 2.551 -5.434 1.00 0.00 H new ATOM 0 HB THR A 7 -8.412 4.936 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.473 5.621 -6.384 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.757 5.278 -7.867 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.601 3.970 -7.520 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.265 3.578 -8.015 1.00 0.00 H new ATOM 77 N MET A 8 -9.910 1.999 -3.289 1.00 0.00 N ATOM 78 CA MET A 8 -10.270 1.986 -1.875 1.00 0.00 C ATOM 79 C MET A 8 -10.920 3.304 -1.455 1.00 0.00 C ATOM 80 O MET A 8 -11.277 4.127 -2.298 1.00 0.00 O ATOM 81 CB MET A 8 -9.030 1.715 -1.021 1.00 0.00 C ATOM 82 CG MET A 8 -9.156 0.483 -0.142 1.00 0.00 C ATOM 83 SD MET A 8 -7.801 0.329 1.037 1.00 0.00 S ATOM 84 CE MET A 8 -7.244 -1.339 0.697 1.00 0.00 C ATOM 0 H MET A 8 -10.186 1.161 -3.800 1.00 0.00 H new ATOM 0 HA MET A 8 -10.996 1.188 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.167 1.597 -1.676 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.836 2.583 -0.391 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.101 0.523 0.400 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.187 -0.406 -0.772 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.429 -1.596 1.374 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.070 -2.035 0.843 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.893 -1.403 -0.333 1.00 0.00 H new ATOM 94 N THR A 9 -11.070 3.494 -0.148 1.00 0.00 N ATOM 95 CA THR A 9 -11.676 4.710 0.382 1.00 0.00 C ATOM 96 C THR A 9 -10.612 5.644 0.951 1.00 0.00 C ATOM 97 O THR A 9 -9.530 5.204 1.339 1.00 0.00 O ATOM 98 CB THR A 9 -12.699 4.365 1.465 1.00 0.00 C ATOM 99 OG1 THR A 9 -12.076 3.700 2.550 1.00 0.00 O ATOM 100 CG2 THR A 9 -13.821 3.478 0.968 1.00 0.00 C ATOM 0 H THR A 9 -10.781 2.822 0.563 1.00 0.00 H new ATOM 0 HA THR A 9 -12.183 5.220 -0.437 1.00 0.00 H new ATOM 0 HB THR A 9 -13.122 5.320 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.747 3.489 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.511 3.272 1.786 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.354 3.983 0.162 1.00 0.00 H new ATOM 0 HG23 THR A 9 -13.407 2.540 0.598 1.00 0.00 H new ATOM 108 N GLU A 10 -10.926 6.935 0.995 1.00 0.00 N ATOM 109 CA GLU A 10 -9.995 7.930 1.515 1.00 0.00 C ATOM 110 C GLU A 10 -9.641 7.636 2.969 1.00 0.00 C ATOM 111 O GLU A 10 -8.535 7.935 3.422 1.00 0.00 O ATOM 112 CB GLU A 10 -10.596 9.332 1.398 1.00 0.00 C ATOM 113 CG GLU A 10 -11.224 9.614 0.042 1.00 0.00 C ATOM 114 CD GLU A 10 -10.772 10.937 -0.547 1.00 0.00 C ATOM 115 OE1 GLU A 10 -9.610 11.021 -0.998 1.00 0.00 O ATOM 116 OE2 GLU A 10 -11.581 11.888 -0.556 1.00 0.00 O ATOM 0 H GLU A 10 -11.817 7.316 0.677 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.082 7.883 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.352 9.460 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.816 10.070 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.970 8.808 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.309 9.617 0.142 1.00 0.00 H new ATOM 123 N ASP A 11 -10.586 7.050 3.698 1.00 0.00 N ATOM 124 CA ASP A 11 -10.373 6.716 5.101 1.00 0.00 C ATOM 125 C ASP A 11 -9.308 5.635 5.249 1.00 0.00 C ATOM 126 O ASP A 11 -8.581 5.597 6.241 1.00 0.00 O ATOM 127 CB ASP A 11 -11.682 6.249 5.741 1.00 0.00 C ATOM 128 CG ASP A 11 -12.592 7.406 6.107 1.00 0.00 C ATOM 129 OD1 ASP A 11 -13.098 8.078 5.184 1.00 0.00 O ATOM 130 OD2 ASP A 11 -12.796 7.640 7.317 1.00 0.00 O ATOM 0 H ASP A 11 -11.507 6.797 3.340 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.026 7.614 5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.203 5.584 5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.459 5.669 6.636 1.00 0.00 H new ATOM 135 N GLN A 12 -9.220 4.757 4.254 1.00 0.00 N ATOM 136 CA GLN A 12 -8.244 3.674 4.275 1.00 0.00 C ATOM 137 C GLN A 12 -6.953 4.092 3.576 1.00 0.00 C ATOM 138 O GLN A 12 -5.863 3.664 3.957 1.00 0.00 O ATOM 139 CB GLN A 12 -8.819 2.427 3.603 1.00 0.00 C ATOM 140 CG GLN A 12 -9.699 1.593 4.521 1.00 0.00 C ATOM 141 CD GLN A 12 -10.945 1.080 3.826 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.958 0.888 2.610 1.00 0.00 O ATOM 143 NE2 GLN A 12 -12.002 0.853 4.597 1.00 0.00 N ATOM 0 H GLN A 12 -9.813 4.775 3.424 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.016 3.445 5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.400 2.729 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.998 1.809 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.124 0.748 4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.989 2.193 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.948 1.026 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.868 0.506 4.185 1.00 0.00 H new ATOM 152 N VAL A 13 -7.085 4.928 2.552 1.00 0.00 N ATOM 153 CA VAL A 13 -5.929 5.403 1.800 1.00 0.00 C ATOM 154 C VAL A 13 -5.132 6.426 2.606 1.00 0.00 C ATOM 155 O VAL A 13 -3.915 6.530 2.462 1.00 0.00 O ATOM 156 CB VAL A 13 -6.350 6.038 0.461 1.00 0.00 C ATOM 157 CG1 VAL A 13 -5.128 6.385 -0.376 1.00 0.00 C ATOM 158 CG2 VAL A 13 -7.282 5.108 -0.303 1.00 0.00 C ATOM 0 H VAL A 13 -7.980 5.291 2.224 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.304 4.533 1.600 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.889 6.961 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.447 6.832 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.503 7.093 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.557 5.479 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.568 5.574 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.772 4.166 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.174 4.917 0.293 1.00 0.00 H new ATOM 168 N GLU A 14 -5.828 7.176 3.455 1.00 0.00 N ATOM 169 CA GLU A 14 -5.185 8.189 4.282 1.00 0.00 C ATOM 170 C GLU A 14 -4.365 7.543 5.396 1.00 0.00 C ATOM 171 O GLU A 14 -3.315 8.054 5.784 1.00 0.00 O ATOM 172 CB GLU A 14 -6.233 9.126 4.884 1.00 0.00 C ATOM 173 CG GLU A 14 -6.627 10.270 3.963 1.00 0.00 C ATOM 174 CD GLU A 14 -6.767 11.589 4.698 1.00 0.00 C ATOM 175 OE1 GLU A 14 -7.730 11.733 5.480 1.00 0.00 O ATOM 176 OE2 GLU A 14 -5.914 12.477 4.492 1.00 0.00 O ATOM 0 H GLU A 14 -6.837 7.101 3.588 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.512 8.766 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.123 8.549 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.847 9.538 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.878 10.374 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.571 10.029 3.474 1.00 0.00 H new ATOM 183 N ILE A 15 -4.854 6.417 5.906 1.00 0.00 N ATOM 184 CA ILE A 15 -4.166 5.701 6.974 1.00 0.00 C ATOM 185 C ILE A 15 -3.132 4.733 6.410 1.00 0.00 C ATOM 186 O ILE A 15 -2.107 4.469 7.040 1.00 0.00 O ATOM 187 CB ILE A 15 -5.160 4.918 7.854 1.00 0.00 C ATOM 188 CG1 ILE A 15 -6.323 5.817 8.274 1.00 0.00 C ATOM 189 CG2 ILE A 15 -4.451 4.353 9.077 1.00 0.00 C ATOM 190 CD1 ILE A 15 -7.424 5.080 9.003 1.00 0.00 C ATOM 0 H ILE A 15 -5.723 5.981 5.597 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.662 6.450 7.585 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.561 4.087 7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.943 6.613 8.915 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.741 6.294 7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.165 3.802 9.690 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.654 3.682 8.758 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.026 5.170 9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.215 5.780 9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.831 4.302 8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.020 4.626 9.908 1.00 0.00 H new ATOM 202 N LEU A 16 -3.408 4.205 5.222 1.00 0.00 N ATOM 203 CA LEU A 16 -2.501 3.266 4.574 1.00 0.00 C ATOM 204 C LEU A 16 -1.241 3.973 4.084 1.00 0.00 C ATOM 205 O LEU A 16 -0.162 3.382 4.043 1.00 0.00 O ATOM 206 CB LEU A 16 -3.200 2.575 3.402 1.00 0.00 C ATOM 207 CG LEU A 16 -4.000 1.326 3.770 1.00 0.00 C ATOM 208 CD1 LEU A 16 -4.751 0.795 2.559 1.00 0.00 C ATOM 209 CD2 LEU A 16 -3.083 0.256 4.342 1.00 0.00 C ATOM 0 H LEU A 16 -4.253 4.412 4.689 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.211 2.516 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.871 3.290 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.449 2.301 2.661 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.730 1.598 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.314 -0.094 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.437 1.558 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.040 0.540 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.669 -0.626 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.330 -0.012 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.592 0.638 5.237 1.00 0.00 H new ATOM 221 N GLU A 17 -1.384 5.241 3.716 1.00 0.00 N ATOM 222 CA GLU A 17 -0.257 6.028 3.228 1.00 0.00 C ATOM 223 C GLU A 17 0.504 6.663 4.387 1.00 0.00 C ATOM 224 O GLU A 17 1.733 6.735 4.370 1.00 0.00 O ATOM 225 CB GLU A 17 -0.746 7.113 2.265 1.00 0.00 C ATOM 226 CG GLU A 17 -0.561 6.755 0.800 1.00 0.00 C ATOM 227 CD GLU A 17 -0.465 7.977 -0.092 1.00 0.00 C ATOM 228 OE1 GLU A 17 0.599 8.630 -0.092 1.00 0.00 O ATOM 229 OE2 GLU A 17 -1.455 8.280 -0.791 1.00 0.00 O ATOM 0 H GLU A 17 -2.269 5.746 3.746 1.00 0.00 H new ATOM 0 HA GLU A 17 0.420 5.359 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.802 7.304 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.212 8.040 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.343 6.156 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.396 6.136 0.473 1.00 0.00 H new ATOM 236 N TYR A 18 -0.232 7.122 5.393 1.00 0.00 N ATOM 237 CA TYR A 18 0.374 7.751 6.560 1.00 0.00 C ATOM 238 C TYR A 18 1.292 6.775 7.291 1.00 0.00 C ATOM 239 O TYR A 18 2.272 7.181 7.915 1.00 0.00 O ATOM 240 CB TYR A 18 -0.709 8.259 7.513 1.00 0.00 C ATOM 241 CG TYR A 18 -0.199 9.246 8.540 1.00 0.00 C ATOM 242 CD1 TYR A 18 0.526 8.816 9.643 1.00 0.00 C ATOM 243 CD2 TYR A 18 -0.442 10.607 8.404 1.00 0.00 C ATOM 244 CE1 TYR A 18 0.994 9.714 10.584 1.00 0.00 C ATOM 245 CE2 TYR A 18 0.023 11.512 9.340 1.00 0.00 C ATOM 246 CZ TYR A 18 0.739 11.060 10.427 1.00 0.00 C ATOM 247 OH TYR A 18 1.204 11.958 11.361 1.00 0.00 O ATOM 0 H TYR A 18 -1.250 7.070 5.424 1.00 0.00 H new ATOM 0 HA TYR A 18 0.971 8.595 6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.501 8.730 6.931 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.155 7.409 8.029 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.728 7.762 9.768 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.003 10.964 7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.556 9.363 11.437 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.174 12.567 9.220 1.00 0.00 H new ATOM 0 HH TYR A 18 0.940 12.866 11.102 1.00 0.00 H new ATOM 257 N ASN A 19 0.969 5.488 7.207 1.00 0.00 N ATOM 258 CA ASN A 19 1.768 4.458 7.860 1.00 0.00 C ATOM 259 C ASN A 19 2.795 3.865 6.899 1.00 0.00 C ATOM 260 O ASN A 19 3.306 2.767 7.125 1.00 0.00 O ATOM 261 CB ASN A 19 0.864 3.351 8.404 1.00 0.00 C ATOM 262 CG ASN A 19 0.087 3.788 9.630 1.00 0.00 C ATOM 263 OD1 ASN A 19 0.482 3.506 10.762 1.00 0.00 O ATOM 264 ND2 ASN A 19 -1.025 4.480 9.412 1.00 0.00 N ATOM 0 H ASN A 19 0.161 5.135 6.694 1.00 0.00 H new ATOM 0 HA ASN A 19 2.303 4.924 8.688 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.166 3.041 7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.471 2.480 8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.589 4.800 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.315 4.691 8.457 1.00 0.00 H new ATOM 271 N PHE A 20 3.093 4.593 5.826 1.00 0.00 N ATOM 272 CA PHE A 20 4.059 4.131 4.835 1.00 0.00 C ATOM 273 C PHE A 20 5.246 5.086 4.738 1.00 0.00 C ATOM 274 O PHE A 20 6.364 4.671 4.430 1.00 0.00 O ATOM 275 CB PHE A 20 3.389 3.995 3.466 1.00 0.00 C ATOM 276 CG PHE A 20 4.274 3.370 2.425 1.00 0.00 C ATOM 277 CD1 PHE A 20 4.941 2.183 2.684 1.00 0.00 C ATOM 278 CD2 PHE A 20 4.439 3.971 1.187 1.00 0.00 C ATOM 279 CE1 PHE A 20 5.755 1.606 1.728 1.00 0.00 C ATOM 280 CE2 PHE A 20 5.253 3.399 0.227 1.00 0.00 C ATOM 281 CZ PHE A 20 5.911 2.215 0.499 1.00 0.00 C ATOM 0 H PHE A 20 2.680 5.503 5.621 1.00 0.00 H new ATOM 0 HA PHE A 20 4.427 3.156 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.485 3.395 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.079 4.982 3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.823 1.703 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.926 4.896 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.268 0.680 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.374 3.877 -0.734 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.547 1.766 -0.250 1.00 0.00 H new ATOM 291 N ASN A 21 4.997 6.367 4.996 1.00 0.00 N ATOM 292 CA ASN A 21 6.047 7.377 4.933 1.00 0.00 C ATOM 293 C ASN A 21 6.301 7.998 6.304 1.00 0.00 C ATOM 294 O ASN A 21 7.435 8.334 6.642 1.00 0.00 O ATOM 295 CB ASN A 21 5.670 8.469 3.930 1.00 0.00 C ATOM 296 CG ASN A 21 5.452 7.921 2.533 1.00 0.00 C ATOM 297 OD1 ASN A 21 6.301 8.077 1.654 1.00 0.00 O ATOM 298 ND2 ASN A 21 4.311 7.278 2.321 1.00 0.00 N ATOM 0 H ASN A 21 4.078 6.729 5.250 1.00 0.00 H new ATOM 0 HA ASN A 21 6.964 6.887 4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.762 8.970 4.267 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.458 9.222 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.108 6.889 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.637 7.173 3.079 1.00 0.00 H new ATOM 305 N LYS A 22 5.238 8.154 7.088 1.00 0.00 N ATOM 306 CA LYS A 22 5.351 8.742 8.418 1.00 0.00 C ATOM 307 C LYS A 22 5.448 7.664 9.496 1.00 0.00 C ATOM 308 O LYS A 22 5.110 7.904 10.655 1.00 0.00 O ATOM 309 CB LYS A 22 4.153 9.651 8.698 1.00 0.00 C ATOM 310 CG LYS A 22 3.974 10.756 7.670 1.00 0.00 C ATOM 311 CD LYS A 22 2.942 10.380 6.620 1.00 0.00 C ATOM 312 CE LYS A 22 3.178 11.124 5.316 1.00 0.00 C ATOM 313 NZ LYS A 22 2.560 12.479 5.329 1.00 0.00 N ATOM 0 H LYS A 22 4.291 7.882 6.826 1.00 0.00 H new ATOM 0 HA LYS A 22 6.267 9.333 8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.247 9.045 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.271 10.100 9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.667 11.674 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.929 10.962 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.980 9.306 6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.943 10.605 6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.250 11.216 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.767 10.546 4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.744 12.953 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.534 12.391 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.970 13.040 6.102 1.00 0.00 H new ATOM 327 N VAL A 23 5.911 6.479 9.109 1.00 0.00 N ATOM 328 CA VAL A 23 6.052 5.372 10.049 1.00 0.00 C ATOM 329 C VAL A 23 7.107 4.379 9.571 1.00 0.00 C ATOM 330 O VAL A 23 8.183 4.270 10.161 1.00 0.00 O ATOM 331 CB VAL A 23 4.715 4.632 10.254 1.00 0.00 C ATOM 332 CG1 VAL A 23 4.863 3.529 11.291 1.00 0.00 C ATOM 333 CG2 VAL A 23 3.621 5.608 10.659 1.00 0.00 C ATOM 0 H VAL A 23 6.194 6.261 8.154 1.00 0.00 H new ATOM 0 HA VAL A 23 6.366 5.801 11.000 1.00 0.00 H new ATOM 0 HB VAL A 23 4.430 4.172 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.908 3.020 11.420 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.613 2.813 10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.174 3.963 12.241 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.685 5.068 10.799 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.899 6.100 11.591 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.494 6.357 9.877 1.00 0.00 H new ATOM 343 N ASN A 24 6.792 3.656 8.501 1.00 0.00 N ATOM 344 CA ASN A 24 7.715 2.671 7.947 1.00 0.00 C ATOM 345 C ASN A 24 7.172 2.090 6.646 1.00 0.00 C ATOM 346 O ASN A 24 5.969 2.139 6.386 1.00 0.00 O ATOM 347 CB ASN A 24 7.961 1.549 8.956 1.00 0.00 C ATOM 348 CG ASN A 24 6.688 0.812 9.323 1.00 0.00 C ATOM 349 OD1 ASN A 24 5.870 0.494 8.459 1.00 0.00 O ATOM 350 ND2 ASN A 24 6.513 0.535 10.610 1.00 0.00 N ATOM 0 H ASN A 24 5.906 3.733 8.001 1.00 0.00 H new ATOM 0 HA ASN A 24 8.659 3.173 7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.680 0.842 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.409 1.967 9.858 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.675 0.040 10.916 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.216 0.817 11.293 1.00 0.00 H new ATOM 357 N LYS A 25 8.066 1.541 5.831 1.00 0.00 N ATOM 358 CA LYS A 25 7.676 0.950 4.556 1.00 0.00 C ATOM 359 C LYS A 25 7.599 -0.570 4.663 1.00 0.00 C ATOM 360 O LYS A 25 6.756 -1.203 4.027 1.00 0.00 O ATOM 361 CB LYS A 25 8.670 1.347 3.463 1.00 0.00 C ATOM 362 CG LYS A 25 8.661 2.833 3.145 1.00 0.00 C ATOM 363 CD LYS A 25 9.544 3.613 4.106 1.00 0.00 C ATOM 364 CE LYS A 25 10.301 4.722 3.393 1.00 0.00 C ATOM 365 NZ LYS A 25 10.407 5.949 4.229 1.00 0.00 N ATOM 0 H LYS A 25 9.065 1.493 6.030 1.00 0.00 H new ATOM 0 HA LYS A 25 6.688 1.328 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.674 1.056 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.442 0.788 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.006 2.990 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.640 3.212 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.931 4.041 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.253 2.935 4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.300 4.371 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.796 4.963 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.930 6.681 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.454 6.299 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.911 5.726 5.111 1.00 0.00 H new ATOM 379 N HIS A 26 8.482 -1.147 5.470 1.00 0.00 N ATOM 380 CA HIS A 26 8.514 -2.593 5.659 1.00 0.00 C ATOM 381 C HIS A 26 8.255 -2.954 7.121 1.00 0.00 C ATOM 382 O HIS A 26 9.148 -3.437 7.818 1.00 0.00 O ATOM 383 CB HIS A 26 9.863 -3.158 5.211 1.00 0.00 C ATOM 384 CG HIS A 26 9.951 -3.399 3.736 1.00 0.00 C ATOM 385 ND1 HIS A 26 9.490 -4.550 3.133 1.00 0.00 N ATOM 386 CD2 HIS A 26 10.452 -2.629 2.741 1.00 0.00 C ATOM 387 CE1 HIS A 26 9.704 -4.478 1.831 1.00 0.00 C ATOM 388 NE2 HIS A 26 10.286 -3.323 1.568 1.00 0.00 N ATOM 0 H HIS A 26 9.185 -0.636 6.004 1.00 0.00 H new ATOM 0 HA HIS A 26 7.725 -3.033 5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.653 -2.467 5.506 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.047 -4.095 5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.899 -1.652 2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.446 -5.235 1.106 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.567 -2.998 0.643 1.00 0.00 H new ATOM 397 N PRO A 27 7.023 -2.724 7.606 1.00 0.00 N ATOM 398 CA PRO A 27 6.652 -3.027 8.992 1.00 0.00 C ATOM 399 C PRO A 27 6.575 -4.527 9.257 1.00 0.00 C ATOM 400 O PRO A 27 6.852 -5.339 8.374 1.00 0.00 O ATOM 401 CB PRO A 27 5.270 -2.387 9.139 1.00 0.00 C ATOM 402 CG PRO A 27 4.719 -2.348 7.757 1.00 0.00 C ATOM 403 CD PRO A 27 5.898 -2.150 6.844 1.00 0.00 C ATOM 0 HA PRO A 27 7.388 -2.650 9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.632 -2.971 9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.341 -1.386 9.565 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.194 -3.273 7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.000 -1.536 7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.757 -2.659 5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.061 -1.095 6.621 1.00 0.00 H new ATOM 411 N ASP A 28 6.197 -4.886 10.480 1.00 0.00 N ATOM 412 CA ASP A 28 6.082 -6.288 10.865 1.00 0.00 C ATOM 413 C ASP A 28 4.619 -6.687 11.036 1.00 0.00 C ATOM 414 O ASP A 28 3.752 -5.833 11.216 1.00 0.00 O ATOM 415 CB ASP A 28 6.850 -6.551 12.164 1.00 0.00 C ATOM 416 CG ASP A 28 6.680 -5.436 13.179 1.00 0.00 C ATOM 417 OD1 ASP A 28 7.036 -4.283 12.858 1.00 0.00 O ATOM 418 OD2 ASP A 28 6.193 -5.718 14.293 1.00 0.00 O ATOM 0 H ASP A 28 5.965 -4.225 11.221 1.00 0.00 H new ATOM 0 HA ASP A 28 6.515 -6.893 10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.508 -7.489 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.909 -6.672 11.937 1.00 0.00 H new ATOM 423 N PRO A 29 4.324 -7.998 10.986 1.00 0.00 N ATOM 424 CA PRO A 29 2.958 -8.507 11.138 1.00 0.00 C ATOM 425 C PRO A 29 2.287 -7.983 12.404 1.00 0.00 C ATOM 426 O PRO A 29 1.062 -7.893 12.476 1.00 0.00 O ATOM 427 CB PRO A 29 3.135 -10.032 11.212 1.00 0.00 C ATOM 428 CG PRO A 29 4.598 -10.258 11.411 1.00 0.00 C ATOM 429 CD PRO A 29 5.288 -9.086 10.779 1.00 0.00 C ATOM 0 HA PRO A 29 2.315 -8.188 10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.558 -10.454 12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.785 -10.512 10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.841 -10.328 12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.915 -11.193 10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.246 -8.875 11.254 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.488 -9.255 9.721 1.00 0.00 H new ATOM 437 N THR A 30 3.098 -7.635 13.397 1.00 0.00 N ATOM 438 CA THR A 30 2.582 -7.116 14.659 1.00 0.00 C ATOM 439 C THR A 30 2.061 -5.694 14.485 1.00 0.00 C ATOM 440 O THR A 30 1.028 -5.326 15.045 1.00 0.00 O ATOM 441 CB THR A 30 3.672 -7.147 15.731 1.00 0.00 C ATOM 442 OG1 THR A 30 4.289 -8.420 15.784 1.00 0.00 O ATOM 443 CG2 THR A 30 3.156 -6.828 17.118 1.00 0.00 C ATOM 0 H THR A 30 4.115 -7.703 13.353 1.00 0.00 H new ATOM 0 HA THR A 30 1.755 -7.751 14.976 1.00 0.00 H new ATOM 0 HB THR A 30 4.385 -6.376 15.440 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.984 -8.418 16.475 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.980 -6.867 17.831 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.719 -5.829 17.123 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.397 -7.557 17.401 1.00 0.00 H new ATOM 451 N THR A 31 2.785 -4.897 13.706 1.00 0.00 N ATOM 452 CA THR A 31 2.398 -3.514 13.456 1.00 0.00 C ATOM 453 C THR A 31 1.333 -3.436 12.365 1.00 0.00 C ATOM 454 O THR A 31 0.476 -2.553 12.382 1.00 0.00 O ATOM 455 CB THR A 31 3.618 -2.685 13.051 1.00 0.00 C ATOM 456 OG1 THR A 31 4.625 -2.760 14.045 1.00 0.00 O ATOM 457 CG2 THR A 31 3.302 -1.223 12.827 1.00 0.00 C ATOM 0 H THR A 31 3.643 -5.186 13.237 1.00 0.00 H new ATOM 0 HA THR A 31 1.981 -3.108 14.378 1.00 0.00 H new ATOM 0 HB THR A 31 3.959 -3.113 12.108 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.440 -3.142 13.657 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.211 -0.694 12.543 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.563 -1.128 12.031 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.904 -0.792 13.745 1.00 0.00 H new ATOM 465 N LEU A 32 1.394 -4.368 11.420 1.00 0.00 N ATOM 466 CA LEU A 32 0.435 -4.407 10.322 1.00 0.00 C ATOM 467 C LEU A 32 -0.988 -4.563 10.847 1.00 0.00 C ATOM 468 O LEU A 32 -1.936 -4.028 10.271 1.00 0.00 O ATOM 469 CB LEU A 32 0.767 -5.557 9.368 1.00 0.00 C ATOM 470 CG LEU A 32 0.375 -5.323 7.908 1.00 0.00 C ATOM 471 CD1 LEU A 32 1.164 -4.162 7.324 1.00 0.00 C ATOM 472 CD2 LEU A 32 0.596 -6.585 7.089 1.00 0.00 C ATOM 0 H LEU A 32 2.097 -5.106 11.392 1.00 0.00 H new ATOM 0 HA LEU A 32 0.502 -3.463 9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.839 -5.748 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.267 -6.458 9.722 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.685 -5.071 7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.872 -4.010 6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.957 -3.257 7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.230 -4.385 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.312 -6.401 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.648 -6.867 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.013 -7.393 7.494 1.00 0.00 H new ATOM 484 N CYS A 33 -1.131 -5.298 11.945 1.00 0.00 N ATOM 485 CA CYS A 33 -2.438 -5.524 12.550 1.00 0.00 C ATOM 486 C CYS A 33 -2.995 -4.230 13.135 1.00 0.00 C ATOM 487 O CYS A 33 -4.207 -4.009 13.137 1.00 0.00 O ATOM 488 CB CYS A 33 -2.343 -6.592 13.641 1.00 0.00 C ATOM 489 SG CYS A 33 -3.924 -6.994 14.419 1.00 0.00 S ATOM 0 H CYS A 33 -0.357 -5.747 12.434 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.116 -5.873 11.771 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.921 -7.500 13.210 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.649 -6.251 14.409 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.748 -6.000 14.267 1.00 0.00 H new ATOM 495 N LEU A 34 -2.103 -3.379 13.632 1.00 0.00 N ATOM 496 CA LEU A 34 -2.505 -2.107 14.220 1.00 0.00 C ATOM 497 C LEU A 34 -3.002 -1.145 13.146 1.00 0.00 C ATOM 498 O LEU A 34 -3.902 -0.340 13.387 1.00 0.00 O ATOM 499 CB LEU A 34 -1.335 -1.479 14.979 1.00 0.00 C ATOM 500 CG LEU A 34 -0.664 -2.392 16.007 1.00 0.00 C ATOM 501 CD1 LEU A 34 0.776 -1.963 16.242 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.444 -2.385 17.313 1.00 0.00 C ATOM 0 H LEU A 34 -1.097 -3.548 13.639 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.320 -2.300 14.917 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.584 -1.157 14.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.691 -0.584 15.489 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.659 -3.409 15.614 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.237 -2.624 16.976 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.330 -2.019 15.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.794 -0.939 16.614 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.953 -3.039 18.033 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.480 -1.370 17.710 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.459 -2.740 17.133 1.00 0.00 H new ATOM 514 N ILE A 35 -2.411 -1.235 11.959 1.00 0.00 N ATOM 515 CA ILE A 35 -2.793 -0.374 10.847 1.00 0.00 C ATOM 516 C ILE A 35 -4.085 -0.855 10.197 1.00 0.00 C ATOM 517 O ILE A 35 -4.968 -0.057 9.880 1.00 0.00 O ATOM 518 CB ILE A 35 -1.686 -0.312 9.778 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.332 -0.025 10.428 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.014 0.746 8.735 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.847 -0.348 9.537 1.00 0.00 C ATOM 0 H ILE A 35 -1.665 -1.896 11.743 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.946 0.624 11.259 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.630 -1.280 9.280 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.288 1.028 10.707 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.250 -0.603 11.349 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.222 0.777 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.960 0.500 8.252 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.096 1.720 9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.774 -0.120 10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.828 -1.407 9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.790 0.249 8.627 1.00 0.00 H new ATOM 533 N ALA A 36 -4.191 -2.166 10.002 1.00 0.00 N ATOM 534 CA ALA A 36 -5.377 -2.753 9.390 1.00 0.00 C ATOM 535 C ALA A 36 -6.612 -2.518 10.253 1.00 0.00 C ATOM 536 O ALA A 36 -7.694 -2.234 9.739 1.00 0.00 O ATOM 537 CB ALA A 36 -5.168 -4.242 9.160 1.00 0.00 C ATOM 0 H ALA A 36 -3.471 -2.841 10.259 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.539 -2.266 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.061 -4.668 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.315 -4.392 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.979 -4.734 10.114 1.00 0.00 H new ATOM 543 N ALA A 37 -6.442 -2.636 11.565 1.00 0.00 N ATOM 544 CA ALA A 37 -7.543 -2.435 12.499 1.00 0.00 C ATOM 545 C ALA A 37 -7.937 -0.964 12.573 1.00 0.00 C ATOM 546 O ALA A 37 -9.102 -0.632 12.790 1.00 0.00 O ATOM 547 CB ALA A 37 -7.166 -2.952 13.879 1.00 0.00 C ATOM 0 H ALA A 37 -5.552 -2.870 12.006 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.403 -2.997 12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.998 -2.795 14.566 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.940 -4.017 13.819 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.290 -2.415 14.242 1.00 0.00 H new ATOM 553 N GLU A 38 -6.956 -0.085 12.391 1.00 0.00 N ATOM 554 CA GLU A 38 -7.199 1.352 12.437 1.00 0.00 C ATOM 555 C GLU A 38 -8.196 1.770 11.361 1.00 0.00 C ATOM 556 O GLU A 38 -9.258 2.315 11.663 1.00 0.00 O ATOM 557 CB GLU A 38 -5.887 2.117 12.258 1.00 0.00 C ATOM 558 CG GLU A 38 -5.813 3.399 13.072 1.00 0.00 C ATOM 559 CD GLU A 38 -4.489 4.119 12.908 1.00 0.00 C ATOM 560 OE1 GLU A 38 -3.454 3.433 12.775 1.00 0.00 O ATOM 561 OE2 GLU A 38 -4.488 5.367 12.911 1.00 0.00 O ATOM 0 H GLU A 38 -5.986 -0.343 12.210 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.622 1.593 13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.057 1.469 12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.758 2.359 11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.623 4.063 12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.967 3.165 14.125 1.00 0.00 H new ATOM 568 N ALA A 39 -7.848 1.511 10.106 1.00 0.00 N ATOM 569 CA ALA A 39 -8.713 1.860 8.985 1.00 0.00 C ATOM 570 C ALA A 39 -9.901 0.909 8.893 1.00 0.00 C ATOM 571 O ALA A 39 -11.021 1.329 8.603 1.00 0.00 O ATOM 572 CB ALA A 39 -7.921 1.847 7.686 1.00 0.00 C ATOM 0 H ALA A 39 -6.973 1.060 9.839 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.099 2.866 9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.578 2.109 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.108 2.571 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.508 0.852 7.521 1.00 0.00 H new ATOM 578 N GLY A 40 -9.648 -0.372 9.140 1.00 0.00 N ATOM 579 CA GLY A 40 -10.707 -1.362 9.079 1.00 0.00 C ATOM 580 C GLY A 40 -10.372 -2.530 8.168 1.00 0.00 C ATOM 581 O GLY A 40 -11.161 -3.465 8.035 1.00 0.00 O ATOM 0 H GLY A 40 -8.729 -0.742 9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.906 -1.736 10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.623 -0.886 8.729 1.00 0.00 H new ATOM 585 N LEU A 41 -9.201 -2.479 7.537 1.00 0.00 N ATOM 586 CA LEU A 41 -8.772 -3.543 6.637 1.00 0.00 C ATOM 587 C LEU A 41 -8.140 -4.691 7.416 1.00 0.00 C ATOM 588 O LEU A 41 -8.150 -4.700 8.647 1.00 0.00 O ATOM 589 CB LEU A 41 -7.779 -2.999 5.609 1.00 0.00 C ATOM 590 CG LEU A 41 -8.240 -1.747 4.863 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.043 -0.935 4.392 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.125 -2.126 3.685 1.00 0.00 C ATOM 0 H LEU A 41 -8.534 -1.713 7.633 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.651 -3.923 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.840 -2.776 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.569 -3.781 4.880 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.823 -1.132 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.391 -0.048 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.446 -0.634 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.433 -1.541 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.445 -1.223 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.565 -2.761 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.000 -2.666 4.046 1.00 0.00 H new ATOM 604 N THR A 42 -7.588 -5.658 6.690 1.00 0.00 N ATOM 605 CA THR A 42 -6.949 -6.812 7.313 1.00 0.00 C ATOM 606 C THR A 42 -5.448 -6.819 7.035 1.00 0.00 C ATOM 607 O THR A 42 -4.964 -6.088 6.170 1.00 0.00 O ATOM 608 CB THR A 42 -7.579 -8.108 6.802 1.00 0.00 C ATOM 609 OG1 THR A 42 -7.299 -8.294 5.426 1.00 0.00 O ATOM 610 CG2 THR A 42 -9.082 -8.150 6.975 1.00 0.00 C ATOM 0 H THR A 42 -7.570 -5.666 5.670 1.00 0.00 H new ATOM 0 HA THR A 42 -7.101 -6.742 8.390 1.00 0.00 H new ATOM 0 HB THR A 42 -7.137 -8.902 7.405 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.709 -9.129 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.466 -9.096 6.592 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.329 -8.059 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.535 -7.325 6.425 1.00 0.00 H new ATOM 618 N GLU A 43 -4.718 -7.648 7.772 1.00 0.00 N ATOM 619 CA GLU A 43 -3.273 -7.750 7.605 1.00 0.00 C ATOM 620 C GLU A 43 -2.920 -8.190 6.187 1.00 0.00 C ATOM 621 O GLU A 43 -1.878 -7.813 5.652 1.00 0.00 O ATOM 622 CB GLU A 43 -2.690 -8.736 8.620 1.00 0.00 C ATOM 623 CG GLU A 43 -2.138 -8.068 9.869 1.00 0.00 C ATOM 624 CD GLU A 43 -2.380 -8.885 11.122 1.00 0.00 C ATOM 625 OE1 GLU A 43 -3.468 -8.749 11.720 1.00 0.00 O ATOM 626 OE2 GLU A 43 -1.480 -9.663 11.506 1.00 0.00 O ATOM 0 H GLU A 43 -5.103 -8.260 8.492 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.840 -6.765 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.464 -9.446 8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.895 -9.308 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.067 -7.906 9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.598 -7.087 9.985 1.00 0.00 H new ATOM 633 N GLU A 44 -3.794 -8.990 5.586 1.00 0.00 N ATOM 634 CA GLU A 44 -3.574 -9.481 4.230 1.00 0.00 C ATOM 635 C GLU A 44 -3.680 -8.347 3.217 1.00 0.00 C ATOM 636 O GLU A 44 -2.857 -8.233 2.308 1.00 0.00 O ATOM 637 CB GLU A 44 -4.584 -10.578 3.892 1.00 0.00 C ATOM 638 CG GLU A 44 -4.294 -11.289 2.580 1.00 0.00 C ATOM 639 CD GLU A 44 -5.185 -12.496 2.361 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.803 -13.603 2.795 1.00 0.00 O ATOM 641 OE2 GLU A 44 -6.265 -12.334 1.756 1.00 0.00 O ATOM 0 H GLU A 44 -4.661 -9.312 6.016 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.567 -9.896 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.595 -11.311 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.581 -10.140 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.427 -10.589 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.251 -11.605 2.565 1.00 0.00 H new ATOM 648 N GLN A 45 -4.698 -7.508 3.379 1.00 0.00 N ATOM 649 CA GLN A 45 -4.912 -6.381 2.478 1.00 0.00 C ATOM 650 C GLN A 45 -3.824 -5.328 2.656 1.00 0.00 C ATOM 651 O GLN A 45 -3.380 -4.709 1.689 1.00 0.00 O ATOM 652 CB GLN A 45 -6.287 -5.758 2.726 1.00 0.00 C ATOM 653 CG GLN A 45 -7.391 -6.358 1.871 1.00 0.00 C ATOM 654 CD GLN A 45 -8.754 -6.263 2.528 1.00 0.00 C ATOM 655 OE1 GLN A 45 -8.964 -5.458 3.434 1.00 0.00 O ATOM 656 NE2 GLN A 45 -9.689 -7.088 2.071 1.00 0.00 N ATOM 0 H GLN A 45 -5.388 -7.587 4.126 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.868 -6.752 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.547 -5.879 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.231 -4.687 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.419 -5.846 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.161 -7.404 1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.470 -7.740 1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.626 -7.070 2.473 1.00 0.00 H new ATOM 665 N THR A 46 -3.397 -5.130 3.900 1.00 0.00 N ATOM 666 CA THR A 46 -2.360 -4.151 4.204 1.00 0.00 C ATOM 667 C THR A 46 -1.011 -4.595 3.647 1.00 0.00 C ATOM 668 O THR A 46 -0.177 -3.768 3.281 1.00 0.00 O ATOM 669 CB THR A 46 -2.256 -3.941 5.715 1.00 0.00 C ATOM 670 OG1 THR A 46 -3.545 -3.879 6.302 1.00 0.00 O ATOM 671 CG2 THR A 46 -1.517 -2.676 6.095 1.00 0.00 C ATOM 0 H THR A 46 -3.753 -5.634 4.712 1.00 0.00 H new ATOM 0 HA THR A 46 -2.635 -3.209 3.731 1.00 0.00 H new ATOM 0 HB THR A 46 -1.692 -4.796 6.087 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.876 -4.788 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.480 -2.589 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.502 -2.715 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.036 -1.812 5.679 1.00 0.00 H new ATOM 679 N GLN A 47 -0.803 -5.906 3.589 1.00 0.00 N ATOM 680 CA GLN A 47 0.444 -6.461 3.078 1.00 0.00 C ATOM 681 C GLN A 47 0.564 -6.238 1.573 1.00 0.00 C ATOM 682 O GLN A 47 1.628 -5.871 1.072 1.00 0.00 O ATOM 683 CB GLN A 47 0.529 -7.955 3.392 1.00 0.00 C ATOM 684 CG GLN A 47 1.934 -8.427 3.730 1.00 0.00 C ATOM 685 CD GLN A 47 1.954 -9.443 4.855 1.00 0.00 C ATOM 686 OE1 GLN A 47 2.329 -9.129 5.985 1.00 0.00 O ATOM 687 NE2 GLN A 47 1.547 -10.671 4.551 1.00 0.00 N ATOM 0 H GLN A 47 -1.483 -6.604 3.890 1.00 0.00 H new ATOM 0 HA GLN A 47 1.269 -5.946 3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.132 -8.180 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.161 -8.519 2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.389 -8.865 2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.544 -7.568 4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.244 -10.888 3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.537 -11.397 5.267 1.00 0.00 H new ATOM 696 N LYS A 48 -0.533 -6.463 0.858 1.00 0.00 N ATOM 697 CA LYS A 48 -0.551 -6.287 -0.590 1.00 0.00 C ATOM 698 C LYS A 48 -0.411 -4.815 -0.962 1.00 0.00 C ATOM 699 O LYS A 48 0.282 -4.469 -1.919 1.00 0.00 O ATOM 700 CB LYS A 48 -1.846 -6.852 -1.177 1.00 0.00 C ATOM 701 CG LYS A 48 -2.119 -8.292 -0.775 1.00 0.00 C ATOM 702 CD LYS A 48 -1.246 -9.263 -1.553 1.00 0.00 C ATOM 703 CE LYS A 48 -1.449 -10.694 -1.082 1.00 0.00 C ATOM 704 NZ LYS A 48 -0.381 -11.125 -0.139 1.00 0.00 N ATOM 0 H LYS A 48 -1.421 -6.767 1.257 1.00 0.00 H new ATOM 0 HA LYS A 48 0.297 -6.830 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.682 -6.230 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.800 -6.790 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.937 -8.413 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.169 -8.526 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.479 -9.192 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.198 -8.986 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.420 -10.782 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.463 -11.361 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.556 -12.106 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.544 -11.066 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.384 -10.504 0.696 1.00 0.00 H new ATOM 718 N TRP A 49 -1.074 -3.952 -0.198 1.00 0.00 N ATOM 719 CA TRP A 49 -1.023 -2.516 -0.448 1.00 0.00 C ATOM 720 C TRP A 49 0.407 -1.996 -0.353 1.00 0.00 C ATOM 721 O TRP A 49 0.919 -1.384 -1.289 1.00 0.00 O ATOM 722 CB TRP A 49 -1.915 -1.773 0.551 1.00 0.00 C ATOM 723 CG TRP A 49 -2.124 -0.331 0.202 1.00 0.00 C ATOM 724 CD1 TRP A 49 -3.198 0.210 -0.443 1.00 0.00 C ATOM 725 CD2 TRP A 49 -1.234 0.755 0.480 1.00 0.00 C ATOM 726 NE1 TRP A 49 -3.031 1.566 -0.583 1.00 0.00 N ATOM 727 CE2 TRP A 49 -1.833 1.925 -0.024 1.00 0.00 C ATOM 728 CE3 TRP A 49 0.012 0.853 1.107 1.00 0.00 C ATOM 729 CZ2 TRP A 49 -1.229 3.176 0.080 1.00 0.00 C ATOM 730 CZ3 TRP A 49 0.611 2.095 1.210 1.00 0.00 C ATOM 731 CH2 TRP A 49 -0.010 3.241 0.699 1.00 0.00 C ATOM 0 H TRP A 49 -1.652 -4.222 0.598 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.389 -2.335 -1.459 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.883 -2.271 0.603 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.469 -1.838 1.544 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.055 -0.347 -0.793 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.691 2.202 -1.030 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.498 -0.026 1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.705 4.062 -0.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.573 2.182 1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.483 4.197 0.795 1.00 0.00 H new ATOM 742 N PHE A 50 1.048 -2.246 0.784 1.00 0.00 N ATOM 743 CA PHE A 50 2.421 -1.804 1.002 1.00 0.00 C ATOM 744 C PHE A 50 3.372 -2.466 0.011 1.00 0.00 C ATOM 745 O PHE A 50 4.373 -1.875 -0.393 1.00 0.00 O ATOM 746 CB PHE A 50 2.858 -2.118 2.433 1.00 0.00 C ATOM 747 CG PHE A 50 2.416 -1.091 3.437 1.00 0.00 C ATOM 748 CD1 PHE A 50 1.076 -0.946 3.756 1.00 0.00 C ATOM 749 CD2 PHE A 50 3.343 -0.270 4.061 1.00 0.00 C ATOM 750 CE1 PHE A 50 0.667 -0.001 4.677 1.00 0.00 C ATOM 751 CE2 PHE A 50 2.939 0.676 4.984 1.00 0.00 C ATOM 752 CZ PHE A 50 1.599 0.811 5.293 1.00 0.00 C ATOM 0 H PHE A 50 0.639 -2.752 1.569 1.00 0.00 H new ATOM 0 HA PHE A 50 2.457 -0.726 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.458 -3.090 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.945 -2.198 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.342 -1.579 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.392 -0.371 3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.381 0.103 4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.670 1.310 5.464 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.281 1.549 6.014 1.00 0.00 H new ATOM 762 N LYS A 51 3.053 -3.696 -0.375 1.00 0.00 N ATOM 763 CA LYS A 51 3.881 -4.439 -1.319 1.00 0.00 C ATOM 764 C LYS A 51 3.806 -3.826 -2.713 1.00 0.00 C ATOM 765 O LYS A 51 4.818 -3.704 -3.403 1.00 0.00 O ATOM 766 CB LYS A 51 3.443 -5.904 -1.370 1.00 0.00 C ATOM 767 CG LYS A 51 4.354 -6.782 -2.213 1.00 0.00 C ATOM 768 CD LYS A 51 3.562 -7.636 -3.191 1.00 0.00 C ATOM 769 CE LYS A 51 4.272 -7.754 -4.530 1.00 0.00 C ATOM 770 NZ LYS A 51 3.334 -8.123 -5.626 1.00 0.00 N ATOM 0 H LYS A 51 2.228 -4.200 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 51 4.914 -4.386 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.408 -6.300 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.430 -5.958 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.057 -6.156 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.944 -7.427 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.412 -8.630 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.574 -7.200 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.755 -6.807 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.060 -8.504 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.857 -8.193 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.892 -9.039 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.597 -7.394 -5.712 1.00 0.00 H new ATOM 784 N GLN A 52 2.601 -3.444 -3.123 1.00 0.00 N ATOM 785 CA GLN A 52 2.395 -2.845 -4.436 1.00 0.00 C ATOM 786 C GLN A 52 2.817 -1.378 -4.439 1.00 0.00 C ATOM 787 O GLN A 52 3.460 -0.908 -5.379 1.00 0.00 O ATOM 788 CB GLN A 52 0.927 -2.967 -4.852 1.00 0.00 C ATOM 789 CG GLN A 52 0.645 -4.173 -5.733 1.00 0.00 C ATOM 790 CD GLN A 52 -0.837 -4.469 -5.858 1.00 0.00 C ATOM 791 OE1 GLN A 52 -1.418 -4.344 -6.935 1.00 0.00 O ATOM 792 NE2 GLN A 52 -1.456 -4.865 -4.752 1.00 0.00 N ATOM 0 H GLN A 52 1.753 -3.539 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 52 3.014 -3.383 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.308 -3.028 -3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.632 -2.062 -5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.062 -3.999 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.153 -5.046 -5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.934 -4.955 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.453 -5.079 -4.774 1.00 0.00 H new ATOM 801 N ARG A 53 2.451 -0.660 -3.383 1.00 0.00 N ATOM 802 CA ARG A 53 2.791 0.754 -3.264 1.00 0.00 C ATOM 803 C ARG A 53 4.303 0.956 -3.289 1.00 0.00 C ATOM 804 O ARG A 53 4.792 2.001 -3.721 1.00 0.00 O ATOM 805 CB ARG A 53 2.208 1.333 -1.974 1.00 0.00 C ATOM 806 CG ARG A 53 1.832 2.801 -2.084 1.00 0.00 C ATOM 807 CD ARG A 53 0.512 2.984 -2.815 1.00 0.00 C ATOM 808 NE ARG A 53 0.272 4.380 -3.171 1.00 0.00 N ATOM 809 CZ ARG A 53 -0.759 4.790 -3.906 1.00 0.00 C ATOM 810 NH1 ARG A 53 -1.646 3.916 -4.365 1.00 0.00 N ATOM 811 NH2 ARG A 53 -0.903 6.079 -4.184 1.00 0.00 N ATOM 0 H ARG A 53 1.919 -1.033 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 53 2.360 1.278 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.324 0.760 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.934 1.211 -1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.760 3.235 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.619 3.341 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.510 2.374 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.303 2.625 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 53 0.933 5.081 -2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.540 2.924 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.434 4.237 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.224 6.755 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.693 6.394 -4.747 1.00 0.00 H new ATOM 825 N LEU A 54 5.040 -0.048 -2.824 1.00 0.00 N ATOM 826 CA LEU A 54 6.496 0.022 -2.793 1.00 0.00 C ATOM 827 C LEU A 54 7.062 0.236 -4.194 1.00 0.00 C ATOM 828 O LEU A 54 8.084 0.900 -4.366 1.00 0.00 O ATOM 829 CB LEU A 54 7.076 -1.257 -2.183 1.00 0.00 C ATOM 830 CG LEU A 54 7.514 -1.135 -0.722 1.00 0.00 C ATOM 831 CD1 LEU A 54 7.598 -2.509 -0.074 1.00 0.00 C ATOM 832 CD2 LEU A 54 8.849 -0.415 -0.625 1.00 0.00 C ATOM 0 H LEU A 54 4.652 -0.920 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 54 6.781 0.873 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.330 -2.048 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.933 -1.570 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 54 6.768 -0.548 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.911 -2.403 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.620 -2.989 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.323 -3.121 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.145 -0.337 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.605 -0.975 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.755 0.584 -1.051 1.00 0.00 H new ATOM 844 N ALA A 55 6.392 -0.331 -5.192 1.00 0.00 N ATOM 845 CA ALA A 55 6.829 -0.203 -6.576 1.00 0.00 C ATOM 846 C ALA A 55 6.866 1.259 -7.007 1.00 0.00 C ATOM 847 O ALA A 55 7.688 1.653 -7.835 1.00 0.00 O ATOM 848 CB ALA A 55 5.916 -1.002 -7.495 1.00 0.00 C ATOM 0 H ALA A 55 5.544 -0.884 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 55 7.840 -0.603 -6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.255 -0.897 -8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.943 -2.054 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.896 -0.628 -7.409 1.00 0.00 H new ATOM 854 N GLU A 56 5.970 2.060 -6.440 1.00 0.00 N ATOM 855 CA GLU A 56 5.901 3.480 -6.765 1.00 0.00 C ATOM 856 C GLU A 56 6.901 4.278 -5.935 1.00 0.00 C ATOM 857 O GLU A 56 7.425 5.297 -6.386 1.00 0.00 O ATOM 858 CB GLU A 56 4.486 4.011 -6.528 1.00 0.00 C ATOM 859 CG GLU A 56 3.431 3.337 -7.391 1.00 0.00 C ATOM 860 CD GLU A 56 3.036 4.175 -8.591 1.00 0.00 C ATOM 861 OE1 GLU A 56 3.725 4.087 -9.628 1.00 0.00 O ATOM 862 OE2 GLU A 56 2.039 4.921 -8.492 1.00 0.00 O ATOM 0 H GLU A 56 5.282 1.750 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 56 6.155 3.598 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.227 3.874 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.472 5.083 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.809 2.374 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.547 3.136 -6.786 1.00 0.00 H new ATOM 869 N TRP A 57 7.161 3.809 -4.719 1.00 0.00 N ATOM 870 CA TRP A 57 8.098 4.479 -3.825 1.00 0.00 C ATOM 871 C TRP A 57 9.516 4.424 -4.383 1.00 0.00 C ATOM 872 O TRP A 57 10.288 5.371 -4.237 1.00 0.00 O ATOM 873 CB TRP A 57 8.058 3.836 -2.438 1.00 0.00 C ATOM 874 CG TRP A 57 8.927 4.534 -1.434 1.00 0.00 C ATOM 875 CD1 TRP A 57 8.719 5.766 -0.886 1.00 0.00 C ATOM 876 CD2 TRP A 57 10.142 4.038 -0.861 1.00 0.00 C ATOM 877 NE1 TRP A 57 9.731 6.068 -0.006 1.00 0.00 N ATOM 878 CE2 TRP A 57 10.616 5.022 0.027 1.00 0.00 C ATOM 879 CE3 TRP A 57 10.875 2.857 -1.012 1.00 0.00 C ATOM 880 CZ2 TRP A 57 11.789 4.861 0.760 1.00 0.00 C ATOM 881 CZ3 TRP A 57 12.039 2.698 -0.283 1.00 0.00 C ATOM 882 CH2 TRP A 57 12.487 3.695 0.592 1.00 0.00 C ATOM 0 H TRP A 57 6.736 2.967 -4.330 1.00 0.00 H new ATOM 0 HA TRP A 57 7.800 5.524 -3.743 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.030 3.832 -2.077 1.00 0.00 H new ATOM 0 HB3 TRP A 57 8.372 2.795 -2.519 1.00 0.00 H new ATOM 0 HD1 TRP A 57 7.882 6.410 -1.111 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.810 6.930 0.534 1.00 0.00 H new ATOM 0 HE3 TRP A 57 10.538 2.083 -1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 12.136 5.628 1.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 12.612 1.789 -0.390 1.00 0.00 H new ATOM 0 HH2 TRP A 57 13.402 3.541 1.146 1.00 0.00 H new ATOM 893 N ARG A 58 9.852 3.309 -5.023 1.00 0.00 N ATOM 894 CA ARG A 58 11.178 3.130 -5.603 1.00 0.00 C ATOM 895 C ARG A 58 11.437 4.162 -6.696 1.00 0.00 C ATOM 896 O ARG A 58 12.546 4.681 -6.824 1.00 0.00 O ATOM 897 CB ARG A 58 11.322 1.718 -6.173 1.00 0.00 C ATOM 898 CG ARG A 58 11.428 0.640 -5.107 1.00 0.00 C ATOM 899 CD ARG A 58 11.677 -0.729 -5.722 1.00 0.00 C ATOM 900 NE ARG A 58 12.626 -1.515 -4.939 1.00 0.00 N ATOM 901 CZ ARG A 58 12.309 -2.164 -3.821 1.00 0.00 C ATOM 902 NH1 ARG A 58 11.067 -2.123 -3.352 1.00 0.00 N ATOM 903 NH2 ARG A 58 13.234 -2.856 -3.171 1.00 0.00 N ATOM 0 H ARG A 58 9.224 2.516 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 58 11.915 3.272 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.465 1.503 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.208 1.679 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.238 0.884 -4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.510 0.615 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.734 -1.270 -5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.057 -0.607 -6.736 1.00 0.00 H new ATOM 0 HE ARG A 58 13.590 -1.570 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.351 -1.593 -3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.829 -2.622 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.189 -2.891 -3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.991 -3.353 -2.314 1.00 0.00 H new ATOM 917 N ARG A 59 10.406 4.454 -7.483 1.00 0.00 N ATOM 918 CA ARG A 59 10.523 5.424 -8.567 1.00 0.00 C ATOM 919 C ARG A 59 10.702 6.835 -8.016 1.00 0.00 C ATOM 920 O ARG A 59 11.552 7.592 -8.487 1.00 0.00 O ATOM 921 CB ARG A 59 9.286 5.367 -9.464 1.00 0.00 C ATOM 922 CG ARG A 59 9.448 4.449 -10.665 1.00 0.00 C ATOM 923 CD ARG A 59 8.267 4.561 -11.617 1.00 0.00 C ATOM 924 NE ARG A 59 7.343 3.438 -11.478 1.00 0.00 N ATOM 925 CZ ARG A 59 7.645 2.186 -11.809 1.00 0.00 C ATOM 926 NH1 ARG A 59 8.843 1.891 -12.298 1.00 0.00 N ATOM 927 NH2 ARG A 59 6.746 1.223 -11.651 1.00 0.00 N ATOM 0 H ARG A 59 9.481 4.034 -7.391 1.00 0.00 H new ATOM 0 HA ARG A 59 11.403 5.170 -9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.434 5.032 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.055 6.373 -9.814 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.368 4.699 -11.194 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.546 3.418 -10.325 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.735 5.493 -11.427 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.632 4.605 -12.643 1.00 0.00 H new ATOM 0 HE ARG A 59 6.412 3.625 -11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.539 2.627 -12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.068 0.929 -12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.823 1.443 -11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.977 0.263 -11.905 1.00 0.00 H new ATOM 941 N SER A 60 9.898 7.183 -7.016 1.00 0.00 N ATOM 942 CA SER A 60 9.969 8.503 -6.401 1.00 0.00 C ATOM 943 C SER A 60 11.334 8.734 -5.764 1.00 0.00 C ATOM 944 O SER A 60 12.068 9.640 -6.156 1.00 0.00 O ATOM 945 CB SER A 60 8.868 8.658 -5.350 1.00 0.00 C ATOM 946 OG SER A 60 8.341 9.974 -5.353 1.00 0.00 O ATOM 0 H SER A 60 9.190 6.569 -6.615 1.00 0.00 H new ATOM 0 HA SER A 60 9.823 9.249 -7.182 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.069 7.943 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.268 8.425 -4.363 1.00 0.00 H new ATOM 0 HG SER A 60 7.638 10.046 -4.674 1.00 0.00 H new ATOM 952 N GLU A 61 11.670 7.907 -4.779 1.00 0.00 N ATOM 953 CA GLU A 61 12.948 8.021 -4.087 1.00 0.00 C ATOM 954 C GLU A 61 14.108 7.730 -5.034 1.00 0.00 C ATOM 955 O GLU A 61 15.158 8.369 -4.959 1.00 0.00 O ATOM 956 CB GLU A 61 12.995 7.061 -2.896 1.00 0.00 C ATOM 957 CG GLU A 61 12.381 7.634 -1.629 1.00 0.00 C ATOM 958 CD GLU A 61 13.383 8.406 -0.793 1.00 0.00 C ATOM 959 OE1 GLU A 61 14.600 8.187 -0.973 1.00 0.00 O ATOM 960 OE2 GLU A 61 12.952 9.228 0.042 1.00 0.00 O ATOM 0 H GLU A 61 11.074 7.150 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 61 13.046 9.044 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.472 6.142 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.032 6.792 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.553 8.291 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.964 6.822 -1.032 1.00 0.00 H new ATOM 967 N GLY A 62 13.911 6.763 -5.924 1.00 0.00 N ATOM 968 CA GLY A 62 14.949 6.405 -6.872 1.00 0.00 C ATOM 969 C GLY A 62 15.968 5.450 -6.282 1.00 0.00 C ATOM 970 O GLY A 62 16.671 5.792 -5.330 1.00 0.00 O ATOM 0 H GLY A 62 13.051 6.221 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.493 5.948 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.456 7.309 -7.210 1.00 0.00 H new ATOM 974 N LEU A 63 16.050 4.250 -6.848 1.00 0.00 N ATOM 975 CA LEU A 63 16.992 3.242 -6.371 1.00 0.00 C ATOM 976 C LEU A 63 17.985 2.863 -7.467 1.00 0.00 C ATOM 977 O LEU A 63 17.764 3.149 -8.644 1.00 0.00 O ATOM 978 CB LEU A 63 16.240 1.998 -5.892 1.00 0.00 C ATOM 979 CG LEU A 63 15.927 1.969 -4.394 1.00 0.00 C ATOM 980 CD1 LEU A 63 14.867 3.003 -4.049 1.00 0.00 C ATOM 981 CD2 LEU A 63 15.475 0.578 -3.974 1.00 0.00 C ATOM 0 H LEU A 63 15.476 3.952 -7.637 1.00 0.00 H new ATOM 0 HA LEU A 63 17.548 3.666 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.304 1.922 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 63 16.830 1.116 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 63 16.836 2.217 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.658 2.967 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.228 3.997 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.954 2.788 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.256 0.573 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.578 0.304 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.267 -0.141 -4.185 1.00 0.00 H new ATOM 993 N PRO A 64 19.098 2.208 -7.094 1.00 0.00 N ATOM 994 CA PRO A 64 20.128 1.788 -8.049 1.00 0.00 C ATOM 995 C PRO A 64 19.649 0.662 -8.959 1.00 0.00 C ATOM 996 O PRO A 64 18.456 0.365 -9.021 1.00 0.00 O ATOM 997 CB PRO A 64 21.269 1.302 -7.153 1.00 0.00 C ATOM 998 CG PRO A 64 20.607 0.896 -5.883 1.00 0.00 C ATOM 999 CD PRO A 64 19.439 1.826 -5.709 1.00 0.00 C ATOM 0 HA PRO A 64 20.413 2.597 -8.722 1.00 0.00 H new ATOM 0 HB2 PRO A 64 21.800 0.466 -7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 64 22.002 2.091 -6.983 1.00 0.00 H new ATOM 0 HG2 PRO A 64 20.276 -0.141 -5.930 1.00 0.00 H new ATOM 0 HG3 PRO A 64 21.296 0.973 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 64 18.604 1.334 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 64 19.703 2.695 -5.106 1.00 0.00 H new ATOM 1007 N SER A 65 20.588 0.039 -9.667 1.00 0.00 N ATOM 1008 CA SER A 65 20.263 -1.056 -10.575 1.00 0.00 C ATOM 1009 C SER A 65 19.401 -0.564 -11.734 1.00 0.00 C ATOM 1010 O SER A 65 18.602 0.360 -11.579 1.00 0.00 O ATOM 1011 CB SER A 65 19.541 -2.177 -9.825 1.00 0.00 C ATOM 1012 OG SER A 65 20.434 -3.226 -9.492 1.00 0.00 O ATOM 0 H SER A 65 21.580 0.274 -9.629 1.00 0.00 H new ATOM 0 HA SER A 65 21.197 -1.446 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 65 19.089 -1.778 -8.917 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.730 -2.567 -10.440 1.00 0.00 H new ATOM 0 HG SER A 65 19.948 -3.929 -9.012 1.00 0.00 H new ATOM 1018 N GLU A 66 19.568 -1.188 -12.895 1.00 0.00 N ATOM 1019 CA GLU A 66 18.806 -0.814 -14.081 1.00 0.00 C ATOM 1020 C GLU A 66 18.223 -2.047 -14.765 1.00 0.00 C ATOM 1021 O GLU A 66 18.943 -2.995 -15.077 1.00 0.00 O ATOM 1022 CB GLU A 66 19.693 -0.046 -15.061 1.00 0.00 C ATOM 1023 CG GLU A 66 19.708 1.455 -14.821 1.00 0.00 C ATOM 1024 CD GLU A 66 18.513 2.156 -15.436 1.00 0.00 C ATOM 1025 OE1 GLU A 66 17.927 1.602 -16.391 1.00 0.00 O ATOM 1026 OE2 GLU A 66 18.163 3.259 -14.965 1.00 0.00 O ATOM 0 H GLU A 66 20.224 -1.955 -13.040 1.00 0.00 H new ATOM 0 HA GLU A 66 17.983 -0.172 -13.766 1.00 0.00 H new ATOM 0 HB2 GLU A 66 20.712 -0.427 -14.991 1.00 0.00 H new ATOM 0 HB3 GLU A 66 19.350 -0.240 -16.077 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.725 1.647 -13.748 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.624 1.876 -15.235 1.00 0.00 H new ATOM 1033 N CYS A 67 16.914 -2.027 -14.994 1.00 0.00 N ATOM 1034 CA CYS A 67 16.234 -3.143 -15.642 1.00 0.00 C ATOM 1035 C CYS A 67 16.234 -2.973 -17.158 1.00 0.00 C ATOM 1036 O CYS A 67 16.006 -1.878 -17.670 1.00 0.00 O ATOM 1037 CB CYS A 67 14.798 -3.258 -15.129 1.00 0.00 C ATOM 1038 SG CYS A 67 14.231 -4.959 -14.896 1.00 0.00 S ATOM 0 H CYS A 67 16.303 -1.251 -14.741 1.00 0.00 H new ATOM 0 HA CYS A 67 16.774 -4.058 -15.398 1.00 0.00 H new ATOM 0 HB2 CYS A 67 14.719 -2.727 -14.180 1.00 0.00 H new ATOM 0 HB3 CYS A 67 14.132 -2.757 -15.831 1.00 0.00 H new ATOM 0 HG CYS A 67 13.007 -4.952 -14.458 1.00 0.00 H new ATOM 1044 N ARG A 68 16.492 -4.066 -17.870 1.00 0.00 N ATOM 1045 CA ARG A 68 16.521 -4.038 -19.328 1.00 0.00 C ATOM 1046 C ARG A 68 15.204 -4.542 -19.908 1.00 0.00 C ATOM 1047 O ARG A 68 15.178 -5.143 -20.982 1.00 0.00 O ATOM 1048 CB ARG A 68 17.680 -4.888 -19.852 1.00 0.00 C ATOM 1049 CG ARG A 68 18.243 -4.398 -21.178 1.00 0.00 C ATOM 1050 CD ARG A 68 18.202 -5.485 -22.240 1.00 0.00 C ATOM 1051 NE ARG A 68 19.394 -6.329 -22.206 1.00 0.00 N ATOM 1052 CZ ARG A 68 20.566 -5.977 -22.729 1.00 0.00 C ATOM 1053 NH1 ARG A 68 20.708 -4.800 -23.326 1.00 0.00 N ATOM 1054 NH2 ARG A 68 21.600 -6.804 -22.653 1.00 0.00 N ATOM 0 H ARG A 68 16.684 -4.981 -17.461 1.00 0.00 H new ATOM 0 HA ARG A 68 16.665 -3.005 -19.644 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.478 -4.897 -19.109 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.341 -5.917 -19.969 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.673 -3.534 -21.519 1.00 0.00 H new ATOM 0 HG3 ARG A 68 19.271 -4.065 -21.037 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.316 -6.103 -22.092 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.110 -5.027 -23.225 1.00 0.00 H new ATOM 0 HE ARG A 68 19.324 -7.241 -21.755 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.916 -4.160 -23.386 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.609 -4.536 -23.725 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.497 -7.709 -22.194 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.499 -6.535 -23.054 1.00 0.00 H new ATOM 1068 N SER A 69 14.113 -4.294 -19.191 1.00 0.00 N ATOM 1069 CA SER A 69 12.793 -4.722 -19.635 1.00 0.00 C ATOM 1070 C SER A 69 12.068 -3.594 -20.360 1.00 0.00 C ATOM 1071 O SER A 69 12.426 -2.424 -20.224 1.00 0.00 O ATOM 1072 CB SER A 69 11.960 -5.195 -18.442 1.00 0.00 C ATOM 1073 OG SER A 69 10.661 -5.589 -18.850 1.00 0.00 O ATOM 0 H SER A 69 14.118 -3.798 -18.299 1.00 0.00 H new ATOM 0 HA SER A 69 12.923 -5.551 -20.331 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.460 -6.031 -17.954 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.886 -4.394 -17.706 1.00 0.00 H new ATOM 0 HG SER A 69 10.150 -5.889 -18.069 1.00 0.00 H new ATOM 1079 N VAL A 70 11.045 -3.953 -21.129 1.00 0.00 N ATOM 1080 CA VAL A 70 10.268 -2.970 -21.875 1.00 0.00 C ATOM 1081 C VAL A 70 9.074 -2.484 -21.062 1.00 0.00 C ATOM 1082 O VAL A 70 7.950 -2.948 -21.253 1.00 0.00 O ATOM 1083 CB VAL A 70 9.765 -3.546 -23.212 1.00 0.00 C ATOM 1084 CG1 VAL A 70 10.914 -3.687 -24.200 1.00 0.00 C ATOM 1085 CG2 VAL A 70 9.076 -4.884 -22.991 1.00 0.00 C ATOM 0 H VAL A 70 10.735 -4.917 -21.252 1.00 0.00 H new ATOM 0 HA VAL A 70 10.933 -2.130 -22.079 1.00 0.00 H new ATOM 0 HB VAL A 70 9.037 -2.853 -23.634 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.539 -4.095 -25.138 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.359 -2.709 -24.382 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.668 -4.358 -23.788 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.727 -5.276 -23.946 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.780 -5.587 -22.546 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.226 -4.749 -22.322 1.00 0.00 H new ATOM 1095 N THR A 71 9.326 -1.546 -20.154 1.00 0.00 N ATOM 1096 CA THR A 71 8.270 -0.996 -19.310 1.00 0.00 C ATOM 1097 C THR A 71 8.045 0.481 -19.614 1.00 0.00 C ATOM 1098 O THR A 71 6.910 0.958 -19.617 1.00 0.00 O ATOM 1099 CB THR A 71 8.624 -1.176 -17.832 1.00 0.00 C ATOM 1100 OG1 THR A 71 7.762 -0.406 -17.013 1.00 0.00 O ATOM 1101 CG2 THR A 71 10.047 -0.778 -17.504 1.00 0.00 C ATOM 0 H THR A 71 10.251 -1.151 -19.984 1.00 0.00 H new ATOM 0 HA THR A 71 7.349 -1.537 -19.525 1.00 0.00 H new ATOM 0 HB THR A 71 8.508 -2.242 -17.635 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.091 0.516 -16.968 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.231 -0.930 -16.441 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.739 -1.389 -18.084 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.197 0.273 -17.751 1.00 0.00 H new ATOM 1109 N ASP A 72 9.133 1.201 -19.867 1.00 0.00 N ATOM 1110 CA ASP A 72 9.055 2.625 -20.172 1.00 0.00 C ATOM 1111 C ASP A 72 9.592 2.912 -21.570 1.00 0.00 C ATOM 1112 O ASP A 72 9.695 1.959 -22.371 1.00 0.00 O ATOM 1113 CB ASP A 72 9.837 3.433 -19.135 1.00 0.00 C ATOM 1114 CG ASP A 72 9.202 3.377 -17.760 1.00 0.00 C ATOM 1115 OD1 ASP A 72 8.974 2.257 -17.256 1.00 0.00 O ATOM 1116 OD2 ASP A 72 8.934 4.454 -17.186 1.00 0.00 O ATOM 1117 OXT ASP A 72 9.904 4.088 -21.853 1.00 0.00 O ATOM 0 H ASP A 72 10.080 0.821 -19.867 1.00 0.00 H new ATOM 0 HA ASP A 72 8.007 2.922 -20.138 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.857 3.054 -19.077 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.901 4.471 -19.461 1.00 0.00 H new TER 1122 ASP A 72