USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 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 73 TYR OH : rot 50:sc= -0.699 USER MOD Set 1.2: A 119 ASN : amide:sc= -0.27 K(o=-0.97,f=-5.1!) USER MOD Set 2.1: A 21 THR OG1 : rot -25:sc= 1.67 USER MOD Set 2.2: A 100 GLN : amide:sc= -1.65 X(o=0.018,f=-0.34) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.214 (180deg=-0.115) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.263) USER MOD Single : A 3 LYS NZ :NH3+ -123:sc= -0.105 (180deg=-3.15!) USER MOD Single : A 5 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 13 ASN : amide:sc= -8.07! C(o=-8.1!,f=-5.1!) USER MOD Single : A 15 ASN : amide:sc= -0.495 X(o=-0.5,f=-0.79) USER MOD Single : A 16 ASN : amide:sc= -2.47 K(o=-2.5,f=-1.9) USER MOD Single : A 28 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= -1.8 (180deg=-3.13!) USER MOD Single : A 42 MET CE :methyl -127:sc= -2.04 (180deg=-4.74!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 48 GLN : amide:sc= 0.253 K(o=0.25,f=-1.9!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 63 GLN : amide:sc= -2.46 X(o=-2.5,f=-2.5) USER MOD Single : A 64 HIS : no HE2:sc= -17.8! C(o=-18!,f=-24!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= -0.727! (180deg=-0.898!) USER MOD Single : A 79 HIS : no HD1:sc=-0.000252 X(o=-0.00025,f=-0.32) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.141 USER MOD Single : A 97 LYS NZ :NH3+ -148:sc= 0.0648 (180deg=0) USER MOD Single : A 105 MET CE :methyl -159:sc= -0.0313 (180deg=-0.637) USER MOD Single : A 106 SER OG : rot 45:sc= 0.0795 USER MOD Single : A 111 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.3!) USER MOD Single : A 125 LYS NZ :NH3+ 164:sc= -0.19 (180deg=-0.683) USER MOD Single : A 127 LYS NZ :NH3+ 145:sc= -0.329 (180deg=-1.76!) USER MOD Single : A 131 8OG O3' : rot -72:sc= -0.253! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.089 -4.147 0.284 1.00 0.00 N ATOM 2 CA MET A 1 -22.705 -5.530 -0.109 1.00 0.00 C ATOM 3 C MET A 1 -21.865 -5.529 -1.382 1.00 0.00 C ATOM 4 O MET A 1 -22.026 -6.392 -2.245 1.00 0.00 O ATOM 5 CB MET A 1 -23.980 -6.348 -0.317 1.00 0.00 C ATOM 6 CG MET A 1 -24.851 -5.839 -1.454 1.00 0.00 C ATOM 7 SD MET A 1 -25.643 -7.172 -2.374 1.00 0.00 S ATOM 8 CE MET A 1 -25.551 -6.532 -4.045 1.00 0.00 C ATOM 0 H1 MET A 1 -22.642 -3.907 1.192 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.771 -3.478 -0.446 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.123 -4.088 0.381 1.00 0.00 H new ATOM 0 HA MET A 1 -22.099 -5.972 0.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.708 -7.385 -0.515 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.561 -6.341 0.605 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.617 -5.176 -1.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.242 -5.245 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.002 -7.246 -4.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.087 -5.585 -4.102 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.507 -6.375 -4.317 1.00 0.00 H new ATOM 20 N LYS A 2 -20.969 -4.553 -1.494 1.00 0.00 N ATOM 21 CA LYS A 2 -20.104 -4.439 -2.663 1.00 0.00 C ATOM 22 C LYS A 2 -18.661 -4.783 -2.307 1.00 0.00 C ATOM 23 O LYS A 2 -17.950 -3.977 -1.707 1.00 0.00 O ATOM 24 CB LYS A 2 -20.176 -3.024 -3.240 1.00 0.00 C ATOM 25 CG LYS A 2 -20.115 -2.985 -4.759 1.00 0.00 C ATOM 26 CD LYS A 2 -20.389 -1.587 -5.290 1.00 0.00 C ATOM 27 CE LYS A 2 -19.100 -0.862 -5.642 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.337 -0.464 -4.427 1.00 0.00 N ATOM 0 H LYS A 2 -20.823 -3.830 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.453 -5.148 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.101 -2.552 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.354 -2.433 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.132 -3.317 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.844 -3.682 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.025 -1.650 -6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.938 -1.014 -4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.480 -1.506 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.332 0.025 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.590 0.210 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.981 -0.017 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.906 -1.307 -3.996 1.00 0.00 H new ATOM 42 N LYS A 3 -18.235 -5.985 -2.682 1.00 0.00 N ATOM 43 CA LYS A 3 -16.877 -6.435 -2.403 1.00 0.00 C ATOM 44 C LYS A 3 -15.855 -5.568 -3.131 1.00 0.00 C ATOM 45 O LYS A 3 -16.106 -5.097 -4.241 1.00 0.00 O ATOM 46 CB LYS A 3 -16.707 -7.900 -2.812 1.00 0.00 C ATOM 47 CG LYS A 3 -16.866 -8.137 -4.304 1.00 0.00 C ATOM 48 CD LYS A 3 -15.992 -9.285 -4.783 1.00 0.00 C ATOM 49 CE LYS A 3 -14.549 -8.845 -4.975 1.00 0.00 C ATOM 50 NZ LYS A 3 -13.684 -9.258 -3.836 1.00 0.00 N ATOM 0 H LYS A 3 -18.811 -6.664 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.705 -6.343 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.720 -8.243 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.438 -8.505 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.910 -8.355 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.605 -7.229 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.032 -10.100 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.383 -9.674 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.160 -9.272 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.512 -7.761 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.226 -8.419 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.265 -9.725 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.956 -9.919 -4.175 1.00 0.00 H new ATOM 64 N LEU A 4 -14.705 -5.355 -2.499 1.00 0.00 N ATOM 65 CA LEU A 4 -13.651 -4.539 -3.090 1.00 0.00 C ATOM 66 C LEU A 4 -12.267 -5.059 -2.705 1.00 0.00 C ATOM 67 O LEU A 4 -11.974 -5.259 -1.526 1.00 0.00 O ATOM 68 CB LEU A 4 -13.806 -3.082 -2.647 1.00 0.00 C ATOM 69 CG LEU A 4 -13.428 -2.800 -1.190 1.00 0.00 C ATOM 70 CD1 LEU A 4 -11.982 -2.338 -1.095 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.362 -1.762 -0.588 1.00 0.00 C ATOM 0 H LEU A 4 -14.480 -5.735 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.745 -4.598 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.191 -2.455 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.842 -2.780 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.531 -3.724 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.730 -2.142 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.325 -3.115 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.853 -1.426 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.078 -1.574 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.291 -0.835 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.387 -2.131 -0.622 1.00 0.00 H new ATOM 83 N GLN A 5 -11.422 -5.278 -3.708 1.00 0.00 N ATOM 84 CA GLN A 5 -10.070 -5.775 -3.474 1.00 0.00 C ATOM 85 C GLN A 5 -9.039 -4.668 -3.583 1.00 0.00 C ATOM 86 O GLN A 5 -9.180 -3.739 -4.379 1.00 0.00 O ATOM 87 CB GLN A 5 -9.722 -6.872 -4.471 1.00 0.00 C ATOM 88 CG GLN A 5 -10.779 -7.950 -4.551 1.00 0.00 C ATOM 89 CD GLN A 5 -10.301 -9.194 -5.274 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.109 -10.245 -4.663 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.105 -9.079 -6.582 1.00 0.00 N ATOM 0 H GLN A 5 -11.649 -5.119 -4.690 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.049 -6.175 -2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.586 -6.430 -5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.770 -7.323 -4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.092 -8.220 -3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.657 -7.554 -5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.277 -8.188 -7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.782 -9.882 -7.122 1.00 0.00 H new ATOM 100 N ILE A 6 -7.993 -4.792 -2.785 1.00 0.00 N ATOM 101 CA ILE A 6 -6.909 -3.823 -2.787 1.00 0.00 C ATOM 102 C ILE A 6 -5.576 -4.502 -2.490 1.00 0.00 C ATOM 103 O ILE A 6 -5.464 -5.285 -1.547 1.00 0.00 O ATOM 104 CB ILE A 6 -7.169 -2.674 -1.779 1.00 0.00 C ATOM 105 CG1 ILE A 6 -7.170 -1.333 -2.513 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.137 -2.666 -0.655 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.469 -1.038 -3.229 1.00 0.00 C ATOM 0 H ILE A 6 -7.870 -5.559 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.863 -3.386 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.145 -2.838 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.970 -0.536 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.355 -1.323 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.353 -1.847 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.180 -3.612 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.141 -2.533 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.398 -0.071 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.661 -1.815 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.285 -1.015 -2.507 1.00 0.00 H new ATOM 119 N ALA A 7 -4.566 -4.186 -3.288 1.00 0.00 N ATOM 120 CA ALA A 7 -3.240 -4.753 -3.097 1.00 0.00 C ATOM 121 C ALA A 7 -2.224 -3.637 -2.960 1.00 0.00 C ATOM 122 O ALA A 7 -2.132 -2.781 -3.830 1.00 0.00 O ATOM 123 CB ALA A 7 -2.879 -5.662 -4.263 1.00 0.00 C ATOM 0 H ALA A 7 -4.640 -3.540 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.236 -5.350 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.884 -6.078 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.605 -6.472 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.889 -5.087 -5.189 1.00 0.00 H new ATOM 129 N VAL A 8 -1.468 -3.639 -1.872 1.00 0.00 N ATOM 130 CA VAL A 8 -0.478 -2.595 -1.648 1.00 0.00 C ATOM 131 C VAL A 8 0.930 -3.155 -1.549 1.00 0.00 C ATOM 132 O VAL A 8 1.131 -4.348 -1.323 1.00 0.00 O ATOM 133 CB VAL A 8 -0.794 -1.757 -0.381 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.224 -1.991 0.090 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.194 -2.053 0.741 1.00 0.00 C ATOM 0 H VAL A 8 -1.519 -4.344 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.530 -1.942 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.692 -0.706 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.417 -1.391 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.919 -1.704 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.361 -3.046 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.055 -1.450 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.141 -3.110 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.204 -1.812 0.410 1.00 0.00 H new ATOM 145 N GLY A 9 1.901 -2.268 -1.710 1.00 0.00 N ATOM 146 CA GLY A 9 3.288 -2.657 -1.629 1.00 0.00 C ATOM 147 C GLY A 9 4.160 -1.534 -1.110 1.00 0.00 C ATOM 148 O GLY A 9 4.435 -0.572 -1.827 1.00 0.00 O ATOM 0 H GLY A 9 1.747 -1.277 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.384 -3.523 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.638 -2.962 -2.615 1.00 0.00 H new ATOM 152 N ILE A 10 4.599 -1.661 0.132 1.00 0.00 N ATOM 153 CA ILE A 10 5.456 -0.646 0.739 1.00 0.00 C ATOM 154 C ILE A 10 6.833 -0.695 0.095 1.00 0.00 C ATOM 155 O ILE A 10 7.578 -1.654 0.284 1.00 0.00 O ATOM 156 CB ILE A 10 5.605 -0.815 2.278 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.830 -2.035 2.793 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.142 0.446 2.996 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.901 -2.209 4.296 1.00 0.00 C ATOM 0 H ILE A 10 4.380 -2.451 0.739 1.00 0.00 H new ATOM 0 HA ILE A 10 4.978 0.318 0.565 1.00 0.00 H new ATOM 0 HB ILE A 10 6.661 -0.980 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.785 -1.943 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.221 -2.932 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.252 0.313 4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.747 1.293 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.095 0.636 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.331 -3.091 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.941 -2.333 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.483 -1.329 4.784 1.00 0.00 H new ATOM 171 N ILE A 11 7.154 0.332 -0.685 1.00 0.00 N ATOM 172 CA ILE A 11 8.434 0.389 -1.384 1.00 0.00 C ATOM 173 C ILE A 11 9.591 0.639 -0.426 1.00 0.00 C ATOM 174 O ILE A 11 9.604 1.626 0.305 1.00 0.00 O ATOM 175 CB ILE A 11 8.444 1.479 -2.474 1.00 0.00 C ATOM 176 CG1 ILE A 11 7.053 1.639 -3.101 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.473 1.133 -3.538 1.00 0.00 C ATOM 178 CD1 ILE A 11 7.074 2.294 -4.465 1.00 0.00 C ATOM 0 H ILE A 11 6.547 1.135 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 11 8.564 -0.586 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 11 8.714 2.430 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.587 0.657 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.428 2.231 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.476 1.906 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.461 1.070 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.221 0.174 -3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.056 2.374 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.510 3.290 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.671 1.691 -5.149 1.00 0.00 H new ATOM 190 N ARG A 12 10.560 -0.271 -0.440 1.00 0.00 N ATOM 191 CA ARG A 12 11.728 -0.165 0.427 1.00 0.00 C ATOM 192 C ARG A 12 12.821 0.678 -0.208 1.00 0.00 C ATOM 193 O ARG A 12 13.282 0.391 -1.317 1.00 0.00 O ATOM 194 CB ARG A 12 12.281 -1.548 0.759 1.00 0.00 C ATOM 195 CG ARG A 12 11.989 -1.984 2.185 1.00 0.00 C ATOM 196 CD ARG A 12 13.267 -2.149 2.993 1.00 0.00 C ATOM 197 NE ARG A 12 13.905 -3.440 2.750 1.00 0.00 N ATOM 198 CZ ARG A 12 14.812 -3.983 3.560 1.00 0.00 C ATOM 199 NH1 ARG A 12 15.190 -3.350 4.663 1.00 0.00 N ATOM 200 NH2 ARG A 12 15.342 -5.162 3.265 1.00 0.00 N ATOM 0 H ARG A 12 10.559 -1.093 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 12 11.404 0.325 1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.856 -2.277 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.359 -1.549 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.346 -1.248 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.441 -2.926 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.962 -1.348 2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.040 -2.051 4.055 1.00 0.00 H new ATOM 0 HE ARG A 12 13.640 -3.956 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.786 -2.443 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.885 -3.771 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.055 -5.653 2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.037 -5.578 3.885 1.00 0.00 H new ATOM 214 N ASN A 13 13.228 1.708 0.527 1.00 0.00 N ATOM 215 CA ASN A 13 14.275 2.626 0.094 1.00 0.00 C ATOM 216 C ASN A 13 15.661 2.058 0.353 1.00 0.00 C ATOM 217 O ASN A 13 15.824 0.896 0.725 1.00 0.00 O ATOM 218 CB ASN A 13 14.139 3.971 0.795 1.00 0.00 C ATOM 219 CG ASN A 13 14.817 5.117 0.061 1.00 0.00 C ATOM 220 OD1 ASN A 13 15.368 6.024 0.686 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.782 5.089 -1.268 1.00 0.00 N ATOM 0 H ASN A 13 12.839 1.930 1.443 1.00 0.00 H new ATOM 0 HA ASN A 13 14.154 2.765 -0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.081 4.203 0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.562 3.893 1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.221 5.836 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.316 4.320 -1.750 1.00 0.00 H new ATOM 228 N GLU A 14 16.652 2.903 0.131 1.00 0.00 N ATOM 229 CA GLU A 14 18.054 2.542 0.305 1.00 0.00 C ATOM 230 C GLU A 14 18.515 2.666 1.762 1.00 0.00 C ATOM 231 O GLU A 14 19.710 2.569 2.046 1.00 0.00 O ATOM 232 CB GLU A 14 18.914 3.440 -0.585 1.00 0.00 C ATOM 233 CG GLU A 14 20.408 3.174 -0.475 1.00 0.00 C ATOM 234 CD GLU A 14 21.160 3.544 -1.738 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.642 4.371 -2.517 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.267 3.003 -1.950 1.00 0.00 O ATOM 0 H GLU A 14 16.509 3.865 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 14 18.166 1.496 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.607 3.306 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.721 4.481 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.813 3.740 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.570 2.119 -0.256 1.00 0.00 H new ATOM 243 N ASN A 15 17.583 2.888 2.686 1.00 0.00 N ATOM 244 CA ASN A 15 17.941 3.027 4.095 1.00 0.00 C ATOM 245 C ASN A 15 16.911 2.358 5.003 1.00 0.00 C ATOM 246 O ASN A 15 16.396 2.978 5.934 1.00 0.00 O ATOM 247 CB ASN A 15 18.071 4.508 4.456 1.00 0.00 C ATOM 248 CG ASN A 15 18.508 4.719 5.894 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.379 4.012 6.400 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.905 5.698 6.557 1.00 0.00 N ATOM 0 H ASN A 15 16.586 2.975 2.488 1.00 0.00 H new ATOM 0 HA ASN A 15 18.898 2.528 4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.791 4.980 3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.114 5.004 4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.159 5.889 7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.188 6.259 6.097 1.00 0.00 H new ATOM 257 N ASN A 16 16.612 1.090 4.723 1.00 0.00 N ATOM 258 CA ASN A 16 15.640 0.328 5.511 1.00 0.00 C ATOM 259 C ASN A 16 14.384 1.152 5.794 1.00 0.00 C ATOM 260 O ASN A 16 13.673 0.910 6.771 1.00 0.00 O ATOM 261 CB ASN A 16 16.267 -0.147 6.826 1.00 0.00 C ATOM 262 CG ASN A 16 16.617 0.999 7.754 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.735 1.654 8.309 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.910 1.248 7.927 1.00 0.00 N ATOM 0 H ASN A 16 17.030 0.566 3.954 1.00 0.00 H new ATOM 0 HA ASN A 16 15.348 -0.543 4.924 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.575 -0.820 7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.168 -0.721 6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.205 2.008 8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.608 0.679 7.447 1.00 0.00 H new ATOM 271 N GLU A 17 14.114 2.112 4.921 1.00 0.00 N ATOM 272 CA GLU A 17 12.944 2.966 5.051 1.00 0.00 C ATOM 273 C GLU A 17 12.046 2.766 3.844 1.00 0.00 C ATOM 274 O GLU A 17 12.496 2.272 2.818 1.00 0.00 O ATOM 275 CB GLU A 17 13.359 4.434 5.167 1.00 0.00 C ATOM 276 CG GLU A 17 14.238 4.911 4.022 1.00 0.00 C ATOM 277 CD GLU A 17 14.880 6.256 4.300 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.031 6.606 5.489 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.231 6.958 3.329 1.00 0.00 O ATOM 0 H GLU A 17 14.695 2.319 4.109 1.00 0.00 H new ATOM 0 HA GLU A 17 12.402 2.697 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.463 5.054 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.891 4.579 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.017 4.172 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.639 4.979 3.114 1.00 0.00 H new ATOM 286 N ILE A 18 10.782 3.131 3.963 1.00 0.00 N ATOM 287 CA ILE A 18 9.851 2.961 2.858 1.00 0.00 C ATOM 288 C ILE A 18 9.074 4.243 2.582 1.00 0.00 C ATOM 289 O ILE A 18 8.626 4.925 3.504 1.00 0.00 O ATOM 290 CB ILE A 18 8.872 1.803 3.141 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.583 0.458 2.987 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.652 1.870 2.228 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.095 -0.596 3.956 1.00 0.00 C ATOM 0 H ILE A 18 10.378 3.543 4.804 1.00 0.00 H new ATOM 0 HA ILE A 18 10.438 2.720 1.972 1.00 0.00 H new ATOM 0 HB ILE A 18 8.523 1.902 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.443 0.096 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.654 0.603 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.983 1.040 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.128 2.812 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.972 1.806 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.642 -1.524 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.260 -0.255 4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.030 -0.770 3.799 1.00 0.00 H new ATOM 305 N PHE A 19 8.914 4.555 1.301 1.00 0.00 N ATOM 306 CA PHE A 19 8.185 5.744 0.890 1.00 0.00 C ATOM 307 C PHE A 19 6.680 5.497 0.970 1.00 0.00 C ATOM 308 O PHE A 19 6.128 4.700 0.211 1.00 0.00 O ATOM 309 CB PHE A 19 8.601 6.156 -0.533 1.00 0.00 C ATOM 310 CG PHE A 19 7.462 6.243 -1.515 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.571 7.303 -1.469 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.281 5.262 -2.476 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.521 7.385 -2.364 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.232 5.337 -3.373 1.00 0.00 C ATOM 315 CZ PHE A 19 5.352 6.400 -3.317 1.00 0.00 C ATOM 0 H PHE A 19 9.281 3.998 0.529 1.00 0.00 H new ATOM 0 HA PHE A 19 8.431 6.562 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.099 7.124 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.332 5.439 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.699 8.075 -0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.967 4.429 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.834 8.217 -2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.101 4.565 -4.117 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.533 6.461 -4.018 1.00 0.00 H new ATOM 325 N ILE A 20 6.024 6.184 1.894 1.00 0.00 N ATOM 326 CA ILE A 20 4.587 6.044 2.070 1.00 0.00 C ATOM 327 C ILE A 20 3.880 7.334 1.667 1.00 0.00 C ATOM 328 O ILE A 20 4.361 8.428 1.960 1.00 0.00 O ATOM 329 CB ILE A 20 4.214 5.697 3.531 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.454 5.698 4.432 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.516 4.347 3.593 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.148 5.394 5.882 1.00 0.00 C ATOM 0 H ILE A 20 6.465 6.845 2.534 1.00 0.00 H new ATOM 0 HA ILE A 20 4.263 5.223 1.431 1.00 0.00 H new ATOM 0 HB ILE A 20 3.530 6.463 3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.166 4.962 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.939 6.672 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.260 4.117 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.607 4.380 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.180 3.576 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.072 5.412 6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.460 6.144 6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.691 4.407 5.958 1.00 0.00 H new ATOM 344 N THR A 21 2.744 7.205 0.993 1.00 0.00 N ATOM 345 CA THR A 21 1.991 8.376 0.558 1.00 0.00 C ATOM 346 C THR A 21 1.350 9.076 1.752 1.00 0.00 C ATOM 347 O THR A 21 0.440 8.540 2.383 1.00 0.00 O ATOM 348 CB THR A 21 0.915 7.983 -0.461 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.274 7.575 0.190 1.00 0.00 O ATOM 350 CG2 THR A 21 1.338 6.864 -1.390 1.00 0.00 C ATOM 0 H THR A 21 2.326 6.310 0.737 1.00 0.00 H new ATOM 0 HA THR A 21 2.687 9.065 0.080 1.00 0.00 H new ATOM 0 HB THR A 21 0.751 8.881 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.060 7.253 1.090 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.527 6.640 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.220 7.171 -1.952 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.572 5.974 -0.805 1.00 0.00 H new ATOM 358 N ARG A 22 1.835 10.276 2.056 1.00 0.00 N ATOM 359 CA ARG A 22 1.313 11.051 3.176 1.00 0.00 C ATOM 360 C ARG A 22 0.853 12.427 2.713 1.00 0.00 C ATOM 361 O ARG A 22 1.645 13.217 2.200 1.00 0.00 O ATOM 362 CB ARG A 22 2.380 11.197 4.262 1.00 0.00 C ATOM 363 CG ARG A 22 1.809 11.454 5.647 1.00 0.00 C ATOM 364 CD ARG A 22 2.816 11.120 6.735 1.00 0.00 C ATOM 365 NE ARG A 22 3.542 12.302 7.192 1.00 0.00 N ATOM 366 CZ ARG A 22 4.485 12.276 8.131 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.819 11.131 8.715 1.00 0.00 N ATOM 368 NH2 ARG A 22 5.097 13.397 8.486 1.00 0.00 N ATOM 0 H ARG A 22 2.589 10.733 1.542 1.00 0.00 H new ATOM 0 HA ARG A 22 0.456 10.519 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.984 10.290 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.047 12.017 3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.514 12.500 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.908 10.856 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.299 10.663 7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.525 10.383 6.359 1.00 0.00 H new ATOM 0 HE ARG A 22 3.313 13.200 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.352 10.265 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.542 11.117 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.845 14.279 8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.820 13.378 9.206 1.00 0.00 H new ATOM 382 N ARG A 23 -0.434 12.709 2.897 1.00 0.00 N ATOM 383 CA ARG A 23 -0.999 13.994 2.497 1.00 0.00 C ATOM 384 C ARG A 23 -0.630 14.322 1.045 1.00 0.00 C ATOM 385 O ARG A 23 -1.165 13.719 0.115 1.00 0.00 O ATOM 386 CB ARG A 23 -0.530 15.095 3.456 1.00 0.00 C ATOM 387 CG ARG A 23 -1.090 16.470 3.133 1.00 0.00 C ATOM 388 CD ARG A 23 -0.135 17.573 3.560 1.00 0.00 C ATOM 389 NE ARG A 23 0.195 17.491 4.981 1.00 0.00 N ATOM 390 CZ ARG A 23 1.250 18.086 5.532 1.00 0.00 C ATOM 391 NH1 ARG A 23 2.080 18.806 4.788 1.00 0.00 N ATOM 392 NH2 ARG A 23 1.477 17.959 6.833 1.00 0.00 N ATOM 0 H ARG A 23 -1.104 12.066 3.320 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.086 13.934 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.818 14.825 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.559 15.142 3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.279 16.545 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.048 16.601 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.780 17.509 2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.583 18.543 3.347 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.419 16.946 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.911 18.906 3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.887 19.259 5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.843 17.406 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.285 18.415 7.257 1.00 0.00 H new ATOM 406 N ALA A 24 0.282 15.269 0.854 1.00 0.00 N ATOM 407 CA ALA A 24 0.713 15.660 -0.485 1.00 0.00 C ATOM 408 C ALA A 24 1.641 16.870 -0.434 1.00 0.00 C ATOM 409 O ALA A 24 1.581 17.747 -1.295 1.00 0.00 O ATOM 410 CB ALA A 24 -0.491 15.957 -1.368 1.00 0.00 C ATOM 0 H ALA A 24 0.738 15.781 1.609 1.00 0.00 H new ATOM 0 HA ALA A 24 1.267 14.825 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.151 16.247 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.115 15.067 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.070 16.771 -0.932 1.00 0.00 H new ATOM 416 N ALA A 25 2.501 16.913 0.582 1.00 0.00 N ATOM 417 CA ALA A 25 3.441 18.017 0.744 1.00 0.00 C ATOM 418 C ALA A 25 2.731 19.367 0.700 1.00 0.00 C ATOM 419 O ALA A 25 3.335 20.386 0.363 1.00 0.00 O ATOM 420 CB ALA A 25 4.518 17.952 -0.329 1.00 0.00 C ATOM 0 H ALA A 25 2.565 16.196 1.304 1.00 0.00 H new ATOM 0 HA ALA A 25 3.907 17.918 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.213 18.781 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.058 17.009 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.055 18.019 -1.314 1.00 0.00 H new ATOM 426 N ASP A 26 1.445 19.371 1.043 1.00 0.00 N ATOM 427 CA ASP A 26 0.654 20.598 1.042 1.00 0.00 C ATOM 428 C ASP A 26 -0.801 20.307 1.393 1.00 0.00 C ATOM 429 O ASP A 26 -1.251 19.164 1.320 1.00 0.00 O ATOM 430 CB ASP A 26 0.731 21.284 -0.324 1.00 0.00 C ATOM 431 CG ASP A 26 0.495 20.318 -1.469 1.00 0.00 C ATOM 432 OD1 ASP A 26 -0.387 19.443 -1.335 1.00 0.00 O ATOM 433 OD2 ASP A 26 1.191 20.436 -2.499 1.00 0.00 O ATOM 0 H ASP A 26 0.929 18.538 1.325 1.00 0.00 H new ATOM 0 HA ASP A 26 1.068 21.265 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.008 22.084 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.710 21.749 -0.440 1.00 0.00 H new ATOM 438 N ALA A 27 -1.533 21.349 1.774 1.00 0.00 N ATOM 439 CA ALA A 27 -2.939 21.206 2.136 1.00 0.00 C ATOM 440 C ALA A 27 -3.104 20.300 3.352 1.00 0.00 C ATOM 441 O ALA A 27 -2.135 19.997 4.049 1.00 0.00 O ATOM 442 CB ALA A 27 -3.734 20.664 0.957 1.00 0.00 C ATOM 0 H ALA A 27 -1.176 22.302 1.840 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.324 22.192 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.782 20.562 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.651 21.352 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.340 19.689 0.669 1.00 0.00 H new ATOM 448 N HIS A 28 -4.337 19.870 3.601 1.00 0.00 N ATOM 449 CA HIS A 28 -4.629 18.998 4.734 1.00 0.00 C ATOM 450 C HIS A 28 -5.181 17.658 4.260 1.00 0.00 C ATOM 451 O HIS A 28 -6.278 17.588 3.706 1.00 0.00 O ATOM 452 CB HIS A 28 -5.628 19.670 5.677 1.00 0.00 C ATOM 453 CG HIS A 28 -5.931 18.864 6.902 1.00 0.00 C ATOM 454 ND1 HIS A 28 -7.070 19.043 7.658 1.00 0.00 N ATOM 455 CD2 HIS A 28 -5.236 17.868 7.501 1.00 0.00 C ATOM 456 CE1 HIS A 28 -7.061 18.194 8.671 1.00 0.00 C ATOM 457 NE2 HIS A 28 -5.961 17.470 8.597 1.00 0.00 N ATOM 0 H HIS A 28 -5.150 20.111 3.034 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.698 18.817 5.272 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.234 20.640 5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.556 19.857 5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.289 17.463 7.177 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.824 18.108 9.430 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.692 16.733 9.249 1.00 0.00 H new ATOM 466 N MET A 29 -4.414 16.595 4.482 1.00 0.00 N ATOM 467 CA MET A 29 -4.829 15.256 4.076 1.00 0.00 C ATOM 468 C MET A 29 -3.879 14.200 4.635 1.00 0.00 C ATOM 469 O MET A 29 -3.624 13.180 3.995 1.00 0.00 O ATOM 470 CB MET A 29 -4.882 15.156 2.551 1.00 0.00 C ATOM 471 CG MET A 29 -6.078 14.373 2.035 1.00 0.00 C ATOM 472 SD MET A 29 -5.768 13.607 0.432 1.00 0.00 S ATOM 473 CE MET A 29 -7.221 14.125 -0.478 1.00 0.00 C ATOM 0 H MET A 29 -3.503 16.634 4.940 1.00 0.00 H new ATOM 0 HA MET A 29 -5.825 15.073 4.479 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.907 16.161 2.130 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.967 14.683 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.341 13.600 2.758 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.937 15.040 1.955 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.176 13.728 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.115 13.749 0.019 1.00 0.00 H new ATOM 0 HE3 MET A 29 -7.258 15.214 -0.515 1.00 0.00 H new ATOM 483 N ALA A 30 -3.361 14.451 5.834 1.00 0.00 N ATOM 484 CA ALA A 30 -2.442 13.521 6.479 1.00 0.00 C ATOM 485 C ALA A 30 -3.175 12.301 7.035 1.00 0.00 C ATOM 486 O ALA A 30 -2.548 11.336 7.470 1.00 0.00 O ATOM 487 CB ALA A 30 -1.675 14.226 7.587 1.00 0.00 C ATOM 0 H ALA A 30 -3.562 15.290 6.378 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.739 13.169 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.992 13.522 8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.107 15.055 7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.376 14.607 8.329 1.00 0.00 H new ATOM 493 N ASN A 31 -4.507 12.349 7.022 1.00 0.00 N ATOM 494 CA ASN A 31 -5.315 11.245 7.529 1.00 0.00 C ATOM 495 C ASN A 31 -5.403 10.101 6.518 1.00 0.00 C ATOM 496 O ASN A 31 -6.021 9.072 6.791 1.00 0.00 O ATOM 497 CB ASN A 31 -6.721 11.739 7.876 1.00 0.00 C ATOM 498 CG ASN A 31 -7.278 11.068 9.117 1.00 0.00 C ATOM 499 OD1 ASN A 31 -6.729 10.078 9.602 1.00 0.00 O ATOM 500 ND2 ASN A 31 -8.375 11.606 9.637 1.00 0.00 N ATOM 0 H ASN A 31 -5.046 13.139 6.667 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.829 10.864 8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.697 12.818 8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.388 11.551 7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.796 11.199 10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.796 12.427 9.202 1.00 0.00 H new ATOM 507 N LYS A 32 -4.786 10.280 5.352 1.00 0.00 N ATOM 508 CA LYS A 32 -4.806 9.254 4.314 1.00 0.00 C ATOM 509 C LYS A 32 -3.416 8.688 4.070 1.00 0.00 C ATOM 510 O LYS A 32 -3.111 8.200 2.981 1.00 0.00 O ATOM 511 CB LYS A 32 -5.388 9.813 3.013 1.00 0.00 C ATOM 512 CG LYS A 32 -6.541 8.991 2.460 1.00 0.00 C ATOM 513 CD LYS A 32 -6.836 9.347 1.012 1.00 0.00 C ATOM 514 CE LYS A 32 -8.056 10.248 0.897 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.324 9.469 0.893 1.00 0.00 N ATOM 0 H LYS A 32 -4.268 11.123 5.104 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.445 8.443 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.730 10.833 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.598 9.865 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.301 7.930 2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.432 9.159 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.971 9.846 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.001 8.435 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.066 10.953 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.988 10.836 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.131 10.120 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.326 8.814 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.402 8.928 1.778 1.00 0.00 H new ATOM 529 N LEU A 33 -2.579 8.757 5.093 1.00 0.00 N ATOM 530 CA LEU A 33 -1.212 8.252 5.005 1.00 0.00 C ATOM 531 C LEU A 33 -1.203 6.771 4.639 1.00 0.00 C ATOM 532 O LEU A 33 -1.161 5.905 5.513 1.00 0.00 O ATOM 533 CB LEU A 33 -0.480 8.466 6.332 1.00 0.00 C ATOM 534 CG LEU A 33 0.918 7.847 6.409 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.772 8.306 5.236 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.583 8.200 7.731 1.00 0.00 C ATOM 0 H LEU A 33 -2.821 9.159 5.999 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.696 8.806 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.397 9.537 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.089 8.052 7.136 1.00 0.00 H new ATOM 0 HG LEU A 33 0.820 6.763 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.762 7.855 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.301 8.000 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.865 9.392 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.576 7.752 7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.670 9.283 7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.980 7.818 8.555 1.00 0.00 H new ATOM 548 N GLU A 34 -1.244 6.485 3.342 1.00 0.00 N ATOM 549 CA GLU A 34 -1.244 5.107 2.863 1.00 0.00 C ATOM 550 C GLU A 34 -0.138 4.882 1.837 1.00 0.00 C ATOM 551 O GLU A 34 0.663 5.776 1.566 1.00 0.00 O ATOM 552 CB GLU A 34 -2.603 4.760 2.250 1.00 0.00 C ATOM 553 CG GLU A 34 -3.108 3.379 2.636 1.00 0.00 C ATOM 554 CD GLU A 34 -3.957 2.745 1.550 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.611 3.494 0.796 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.966 1.499 1.456 1.00 0.00 O ATOM 0 H GLU A 34 -1.278 7.188 2.604 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.058 4.454 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.334 5.506 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.529 4.821 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.258 2.732 2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.693 3.453 3.553 1.00 0.00 H new ATOM 563 N PHE A 35 -0.100 3.681 1.272 1.00 0.00 N ATOM 564 CA PHE A 35 0.907 3.335 0.272 1.00 0.00 C ATOM 565 C PHE A 35 0.257 2.957 -1.058 1.00 0.00 C ATOM 566 O PHE A 35 -0.926 2.620 -1.108 1.00 0.00 O ATOM 567 CB PHE A 35 1.801 2.181 0.759 1.00 0.00 C ATOM 568 CG PHE A 35 1.339 1.517 2.028 1.00 0.00 C ATOM 569 CD1 PHE A 35 0.095 0.909 2.100 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.152 1.500 3.150 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.327 0.298 3.266 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.736 0.891 4.317 1.00 0.00 C ATOM 573 CZ PHE A 35 0.494 0.289 4.377 1.00 0.00 C ATOM 0 H PHE A 35 -0.754 2.929 1.488 1.00 0.00 H new ATOM 0 HA PHE A 35 1.527 4.218 0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.860 1.429 -0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.811 2.562 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.552 0.913 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.124 1.969 3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.298 -0.172 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.381 0.885 5.183 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.166 -0.187 5.289 1.00 0.00 H new ATOM 583 N PRO A 36 1.037 2.987 -2.152 1.00 0.00 N ATOM 584 CA PRO A 36 0.554 2.626 -3.490 1.00 0.00 C ATOM 585 C PRO A 36 -0.112 1.256 -3.493 1.00 0.00 C ATOM 586 O PRO A 36 0.012 0.501 -2.528 1.00 0.00 O ATOM 587 CB PRO A 36 1.823 2.612 -4.357 1.00 0.00 C ATOM 588 CG PRO A 36 2.964 2.639 -3.395 1.00 0.00 C ATOM 589 CD PRO A 36 2.461 3.351 -2.173 1.00 0.00 C ATOM 0 HA PRO A 36 -0.201 3.323 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.860 1.721 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.852 3.473 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.291 1.629 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.822 3.157 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.977 3.022 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.603 4.429 -2.245 1.00 0.00 H new ATOM 597 N GLY A 37 -0.826 0.934 -4.570 1.00 0.00 N ATOM 598 CA GLY A 37 -1.493 -0.352 -4.636 1.00 0.00 C ATOM 599 C GLY A 37 -2.970 -0.272 -4.330 1.00 0.00 C ATOM 600 O GLY A 37 -3.471 -0.905 -3.399 1.00 0.00 O ATOM 0 H GLY A 37 -0.952 1.532 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.357 -0.774 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.019 -1.036 -3.932 1.00 0.00 H new ATOM 604 N GLY A 38 -3.657 0.516 -5.122 1.00 0.00 N ATOM 605 CA GLY A 38 -5.084 0.698 -4.959 1.00 0.00 C ATOM 606 C GLY A 38 -5.838 0.551 -6.269 1.00 0.00 C ATOM 607 O GLY A 38 -5.551 1.270 -7.226 1.00 0.00 O ATOM 0 H GLY A 38 -3.249 1.046 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.461 -0.031 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.276 1.686 -4.541 1.00 0.00 H new ATOM 611 N LYS A 39 -6.805 -0.379 -6.304 1.00 0.00 N ATOM 612 CA LYS A 39 -7.629 -0.634 -7.491 1.00 0.00 C ATOM 613 C LYS A 39 -7.277 -1.956 -8.167 1.00 0.00 C ATOM 614 O LYS A 39 -7.858 -2.299 -9.197 1.00 0.00 O ATOM 615 CB LYS A 39 -7.523 0.496 -8.513 1.00 0.00 C ATOM 616 CG LYS A 39 -8.538 0.376 -9.632 1.00 0.00 C ATOM 617 CD LYS A 39 -9.405 1.622 -9.735 1.00 0.00 C ATOM 618 CE LYS A 39 -10.435 1.677 -8.616 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.817 1.999 -7.297 1.00 0.00 N ATOM 0 H LYS A 39 -7.036 -0.974 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.656 -0.690 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.660 1.451 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.519 0.501 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.021 0.212 -10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.170 -0.495 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.774 2.510 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.913 1.635 -10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.189 2.427 -8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.949 0.718 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.525 2.450 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.478 1.124 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.017 2.648 -7.438 1.00 0.00 H new ATOM 633 N ILE A 40 -6.342 -2.709 -7.591 1.00 0.00 N ATOM 634 CA ILE A 40 -5.952 -3.998 -8.165 1.00 0.00 C ATOM 635 C ILE A 40 -7.181 -4.833 -8.483 1.00 0.00 C ATOM 636 O ILE A 40 -7.181 -5.657 -9.399 1.00 0.00 O ATOM 637 CB ILE A 40 -5.018 -4.794 -7.231 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.800 -5.427 -6.067 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.921 -3.881 -6.715 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.328 -6.819 -5.701 1.00 0.00 C ATOM 0 H ILE A 40 -5.845 -2.454 -6.738 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.405 -3.782 -9.083 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.567 -5.609 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.716 -4.783 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.857 -5.469 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.260 -4.443 -6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.347 -3.490 -7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.366 -3.053 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.926 -7.200 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.438 -7.479 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.280 -6.782 -5.404 1.00 0.00 H new ATOM 652 N GLU A 41 -8.227 -4.594 -7.705 1.00 0.00 N ATOM 653 CA GLU A 41 -9.497 -5.288 -7.855 1.00 0.00 C ATOM 654 C GLU A 41 -9.866 -5.427 -9.325 1.00 0.00 C ATOM 655 O GLU A 41 -9.830 -6.526 -9.874 1.00 0.00 O ATOM 656 CB GLU A 41 -10.594 -4.532 -7.101 1.00 0.00 C ATOM 657 CG GLU A 41 -10.444 -3.014 -7.148 1.00 0.00 C ATOM 658 CD GLU A 41 -11.638 -2.327 -7.781 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.771 -2.538 -7.298 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.440 -1.577 -8.760 1.00 0.00 O ATOM 0 H GLU A 41 -8.218 -3.910 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.399 -6.289 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.563 -4.805 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.594 -4.855 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.307 -2.635 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.544 -2.759 -7.708 1.00 0.00 H new ATOM 667 N MET A 42 -10.200 -4.295 -9.948 1.00 0.00 N ATOM 668 CA MET A 42 -10.565 -4.246 -11.370 1.00 0.00 C ATOM 669 C MET A 42 -11.047 -5.602 -11.890 1.00 0.00 C ATOM 670 O MET A 42 -12.245 -5.885 -11.902 1.00 0.00 O ATOM 671 CB MET A 42 -9.370 -3.765 -12.198 1.00 0.00 C ATOM 672 CG MET A 42 -9.124 -2.269 -12.099 1.00 0.00 C ATOM 673 SD MET A 42 -10.427 -1.298 -12.881 1.00 0.00 S ATOM 674 CE MET A 42 -9.633 0.304 -12.994 1.00 0.00 C ATOM 0 H MET A 42 -10.226 -3.387 -9.484 1.00 0.00 H new ATOM 0 HA MET A 42 -11.393 -3.544 -11.471 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.475 -4.294 -11.871 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.533 -4.030 -13.243 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.046 -1.986 -11.049 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.168 -2.030 -12.566 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.275 1.061 -12.543 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.680 0.276 -12.466 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.461 0.552 -14.041 1.00 0.00 H new ATOM 684 N GLY A 43 -10.101 -6.437 -12.314 1.00 0.00 N ATOM 685 CA GLY A 43 -10.439 -7.750 -12.824 1.00 0.00 C ATOM 686 C GLY A 43 -9.231 -8.649 -12.953 1.00 0.00 C ATOM 687 O GLY A 43 -9.199 -9.546 -13.796 1.00 0.00 O ATOM 0 H GLY A 43 -9.104 -6.224 -12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.167 -8.218 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.916 -7.646 -13.798 1.00 0.00 H new ATOM 691 N GLU A 44 -8.235 -8.402 -12.120 1.00 0.00 N ATOM 692 CA GLU A 44 -7.008 -9.190 -12.141 1.00 0.00 C ATOM 693 C GLU A 44 -7.074 -10.335 -11.138 1.00 0.00 C ATOM 694 O GLU A 44 -8.089 -10.530 -10.469 1.00 0.00 O ATOM 695 CB GLU A 44 -5.802 -8.300 -11.838 1.00 0.00 C ATOM 696 CG GLU A 44 -5.232 -7.608 -13.066 1.00 0.00 C ATOM 697 CD GLU A 44 -4.876 -6.157 -12.804 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.449 -5.845 -11.673 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.023 -5.334 -13.732 1.00 0.00 O ATOM 0 H GLU A 44 -8.249 -7.662 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.898 -9.615 -13.139 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.093 -7.545 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.021 -8.905 -11.377 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.342 -8.142 -13.400 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.958 -7.660 -13.878 1.00 0.00 H new ATOM 706 N THR A 45 -5.983 -11.087 -11.034 1.00 0.00 N ATOM 707 CA THR A 45 -5.913 -12.210 -10.109 1.00 0.00 C ATOM 708 C THR A 45 -4.941 -11.894 -8.979 1.00 0.00 C ATOM 709 O THR A 45 -4.067 -11.044 -9.129 1.00 0.00 O ATOM 710 CB THR A 45 -5.469 -13.479 -10.848 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.324 -13.230 -12.235 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.433 -14.634 -10.689 1.00 0.00 C ATOM 0 H THR A 45 -5.135 -10.938 -11.580 1.00 0.00 H new ATOM 0 HA THR A 45 -6.903 -12.380 -9.687 1.00 0.00 H new ATOM 0 HB THR A 45 -4.517 -13.756 -10.395 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.039 -14.052 -12.687 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.058 -15.499 -11.237 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.527 -14.886 -9.633 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.409 -14.350 -11.083 1.00 0.00 H new ATOM 720 N PRO A 46 -5.064 -12.579 -7.832 1.00 0.00 N ATOM 721 CA PRO A 46 -4.183 -12.367 -6.684 1.00 0.00 C ATOM 722 C PRO A 46 -2.714 -12.254 -7.090 1.00 0.00 C ATOM 723 O PRO A 46 -1.909 -11.655 -6.377 1.00 0.00 O ATOM 724 CB PRO A 46 -4.412 -13.617 -5.815 1.00 0.00 C ATOM 725 CG PRO A 46 -5.307 -14.513 -6.612 1.00 0.00 C ATOM 726 CD PRO A 46 -6.056 -13.618 -7.550 1.00 0.00 C ATOM 0 HA PRO A 46 -4.405 -11.432 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.468 -14.112 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.872 -13.352 -4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.728 -15.256 -7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.992 -15.059 -5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.367 -14.142 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.957 -13.209 -7.093 1.00 0.00 H new ATOM 734 N GLU A 47 -2.370 -12.840 -8.235 1.00 0.00 N ATOM 735 CA GLU A 47 -0.998 -12.811 -8.726 1.00 0.00 C ATOM 736 C GLU A 47 -0.723 -11.581 -9.596 1.00 0.00 C ATOM 737 O GLU A 47 0.157 -10.781 -9.282 1.00 0.00 O ATOM 738 CB GLU A 47 -0.700 -14.083 -9.522 1.00 0.00 C ATOM 739 CG GLU A 47 0.667 -14.679 -9.227 1.00 0.00 C ATOM 740 CD GLU A 47 0.590 -15.892 -8.321 1.00 0.00 C ATOM 741 OE1 GLU A 47 0.347 -17.003 -8.834 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.776 -15.730 -7.095 1.00 0.00 O ATOM 0 H GLU A 47 -3.023 -13.340 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.342 -12.755 -7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.466 -14.827 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.768 -13.860 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.147 -14.960 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.297 -13.921 -8.761 1.00 0.00 H new ATOM 749 N GLN A 48 -1.460 -11.445 -10.698 1.00 0.00 N ATOM 750 CA GLN A 48 -1.261 -10.319 -11.611 1.00 0.00 C ATOM 751 C GLN A 48 -1.946 -9.045 -11.118 1.00 0.00 C ATOM 752 O GLN A 48 -1.770 -7.979 -11.705 1.00 0.00 O ATOM 753 CB GLN A 48 -1.767 -10.676 -13.010 1.00 0.00 C ATOM 754 CG GLN A 48 -3.261 -10.942 -13.070 1.00 0.00 C ATOM 755 CD GLN A 48 -3.736 -11.285 -14.469 1.00 0.00 C ATOM 756 OE1 GLN A 48 -4.694 -10.699 -14.972 1.00 0.00 O ATOM 757 NE2 GLN A 48 -3.066 -12.238 -15.105 1.00 0.00 N ATOM 0 H GLN A 48 -2.195 -12.094 -10.979 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.190 -10.121 -11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.524 -9.862 -13.693 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.235 -11.559 -13.365 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.508 -11.762 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.798 -10.063 -12.713 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.277 -12.698 -14.650 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.340 -12.511 -16.049 1.00 0.00 H new ATOM 766 N ALA A 49 -2.721 -9.152 -10.047 1.00 0.00 N ATOM 767 CA ALA A 49 -3.417 -7.992 -9.502 1.00 0.00 C ATOM 768 C ALA A 49 -2.424 -6.929 -9.046 1.00 0.00 C ATOM 769 O ALA A 49 -2.499 -5.775 -9.468 1.00 0.00 O ATOM 770 CB ALA A 49 -4.321 -8.406 -8.352 1.00 0.00 C ATOM 0 H ALA A 49 -2.884 -10.023 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.035 -7.563 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.833 -7.528 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.058 -9.125 -8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.722 -8.862 -7.564 1.00 0.00 H new ATOM 776 N VAL A 50 -1.493 -7.325 -8.186 1.00 0.00 N ATOM 777 CA VAL A 50 -0.485 -6.399 -7.679 1.00 0.00 C ATOM 778 C VAL A 50 0.617 -6.173 -8.710 1.00 0.00 C ATOM 779 O VAL A 50 1.022 -5.041 -8.961 1.00 0.00 O ATOM 780 CB VAL A 50 0.145 -6.888 -6.348 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.864 -7.674 -5.522 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.396 -7.725 -6.597 1.00 0.00 C ATOM 0 H VAL A 50 -1.414 -8.276 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.999 -5.458 -7.485 1.00 0.00 H new ATOM 0 HB VAL A 50 0.439 -6.003 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.396 -8.005 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.719 -7.038 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.200 -8.542 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.811 -8.051 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.137 -8.597 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.135 -7.126 -7.129 1.00 0.00 H new ATOM 792 N VAL A 51 1.106 -7.265 -9.294 1.00 0.00 N ATOM 793 CA VAL A 51 2.173 -7.192 -10.285 1.00 0.00 C ATOM 794 C VAL A 51 1.796 -6.268 -11.433 1.00 0.00 C ATOM 795 O VAL A 51 2.639 -5.537 -11.955 1.00 0.00 O ATOM 796 CB VAL A 51 2.518 -8.587 -10.847 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.728 -8.511 -11.767 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.765 -9.574 -9.715 1.00 0.00 C ATOM 0 H VAL A 51 0.779 -8.211 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 51 3.049 -6.790 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 51 1.668 -8.941 -11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.955 -9.505 -12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.512 -7.840 -12.598 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.586 -8.134 -11.210 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.007 -10.552 -10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.596 -9.225 -9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.869 -9.653 -9.099 1.00 0.00 H new ATOM 808 N ARG A 52 0.529 -6.300 -11.822 1.00 0.00 N ATOM 809 CA ARG A 52 0.056 -5.459 -12.909 1.00 0.00 C ATOM 810 C ARG A 52 -0.162 -4.026 -12.436 1.00 0.00 C ATOM 811 O ARG A 52 0.342 -3.079 -13.037 1.00 0.00 O ATOM 812 CB ARG A 52 -1.238 -6.019 -13.500 1.00 0.00 C ATOM 813 CG ARG A 52 -1.624 -5.386 -14.828 1.00 0.00 C ATOM 814 CD ARG A 52 -1.477 -6.367 -15.981 1.00 0.00 C ATOM 815 NE ARG A 52 -2.549 -7.359 -15.996 1.00 0.00 N ATOM 816 CZ ARG A 52 -3.811 -7.082 -16.316 1.00 0.00 C ATOM 817 NH1 ARG A 52 -4.162 -5.846 -16.648 1.00 0.00 N ATOM 818 NH2 ARG A 52 -4.723 -8.044 -16.306 1.00 0.00 N ATOM 0 H ARG A 52 -0.185 -6.896 -11.403 1.00 0.00 H new ATOM 0 HA ARG A 52 0.822 -5.453 -13.684 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.129 -7.095 -13.638 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.048 -5.869 -12.786 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.655 -5.035 -14.778 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.998 -4.513 -15.011 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.476 -5.820 -16.924 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.515 -6.874 -15.905 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.317 -8.320 -15.747 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.463 -5.103 -16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.130 -5.639 -16.892 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.458 -8.996 -16.053 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.690 -7.832 -16.551 1.00 0.00 H new ATOM 832 N GLU A 53 -0.919 -3.876 -11.354 1.00 0.00 N ATOM 833 CA GLU A 53 -1.206 -2.561 -10.800 1.00 0.00 C ATOM 834 C GLU A 53 0.066 -1.896 -10.283 1.00 0.00 C ATOM 835 O GLU A 53 0.138 -0.672 -10.182 1.00 0.00 O ATOM 836 CB GLU A 53 -2.231 -2.669 -9.670 1.00 0.00 C ATOM 837 CG GLU A 53 -3.057 -1.408 -9.480 1.00 0.00 C ATOM 838 CD GLU A 53 -4.105 -1.228 -10.562 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.956 -1.841 -11.640 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.073 -0.474 -10.331 1.00 0.00 O ATOM 0 H GLU A 53 -1.344 -4.650 -10.844 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.619 -1.945 -11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.900 -3.505 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.712 -2.898 -8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.547 -1.442 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.395 -0.542 -9.473 1.00 0.00 H new ATOM 847 N LEU A 54 1.070 -2.707 -9.957 1.00 0.00 N ATOM 848 CA LEU A 54 2.335 -2.185 -9.452 1.00 0.00 C ATOM 849 C LEU A 54 2.901 -1.145 -10.405 1.00 0.00 C ATOM 850 O LEU A 54 3.342 -0.078 -9.983 1.00 0.00 O ATOM 851 CB LEU A 54 3.341 -3.316 -9.260 1.00 0.00 C ATOM 852 CG LEU A 54 3.765 -3.563 -7.813 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.549 -3.691 -6.904 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.629 -4.806 -7.736 1.00 0.00 C ATOM 0 H LEU A 54 1.032 -3.723 -10.033 1.00 0.00 H new ATOM 0 HA LEU A 54 2.148 -1.713 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.912 -4.235 -9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.230 -3.096 -9.851 1.00 0.00 H new ATOM 0 HG LEU A 54 4.347 -2.708 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.877 -3.866 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.965 -2.771 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.933 -4.527 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.929 -4.977 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.064 -5.665 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.517 -4.671 -8.353 1.00 0.00 H new ATOM 866 N GLN A 55 2.864 -1.453 -11.695 1.00 0.00 N ATOM 867 CA GLN A 55 3.351 -0.524 -12.700 1.00 0.00 C ATOM 868 C GLN A 55 2.517 0.750 -12.646 1.00 0.00 C ATOM 869 O GLN A 55 3.020 1.851 -12.870 1.00 0.00 O ATOM 870 CB GLN A 55 3.274 -1.153 -14.094 1.00 0.00 C ATOM 871 CG GLN A 55 4.631 -1.338 -14.753 1.00 0.00 C ATOM 872 CD GLN A 55 5.220 -2.713 -14.501 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.888 -2.939 -13.492 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.974 -3.640 -15.420 1.00 0.00 N ATOM 0 H GLN A 55 2.504 -2.333 -12.066 1.00 0.00 H new ATOM 0 HA GLN A 55 4.394 -0.284 -12.495 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.780 -2.122 -14.020 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.652 -0.526 -14.733 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.534 -1.180 -15.827 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.318 -0.579 -14.380 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.415 -3.408 -16.241 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.344 -4.583 -15.304 1.00 0.00 H new ATOM 883 N GLU A 56 1.237 0.577 -12.331 1.00 0.00 N ATOM 884 CA GLU A 56 0.310 1.693 -12.223 1.00 0.00 C ATOM 885 C GLU A 56 0.496 2.438 -10.907 1.00 0.00 C ATOM 886 O GLU A 56 0.169 3.619 -10.808 1.00 0.00 O ATOM 887 CB GLU A 56 -1.131 1.191 -12.322 1.00 0.00 C ATOM 888 CG GLU A 56 -2.061 2.143 -13.057 1.00 0.00 C ATOM 889 CD GLU A 56 -3.158 2.694 -12.165 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.598 1.969 -11.247 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.577 3.850 -12.384 1.00 0.00 O ATOM 0 H GLU A 56 0.818 -0.334 -12.145 1.00 0.00 H new ATOM 0 HA GLU A 56 0.517 2.380 -13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.136 0.227 -12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.518 1.023 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.480 2.970 -13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.512 1.624 -13.902 1.00 0.00 H new ATOM 898 N GLU A 57 0.998 1.742 -9.887 1.00 0.00 N ATOM 899 CA GLU A 57 1.189 2.361 -8.578 1.00 0.00 C ATOM 900 C GLU A 57 2.667 2.594 -8.257 1.00 0.00 C ATOM 901 O GLU A 57 3.003 3.056 -7.167 1.00 0.00 O ATOM 902 CB GLU A 57 0.548 1.497 -7.493 1.00 0.00 C ATOM 903 CG GLU A 57 -0.905 1.152 -7.777 1.00 0.00 C ATOM 904 CD GLU A 57 -1.781 2.382 -7.920 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.301 3.493 -7.608 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.946 2.233 -8.341 1.00 0.00 O ATOM 0 H GLU A 57 1.276 0.762 -9.941 1.00 0.00 H new ATOM 0 HA GLU A 57 0.704 3.337 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.119 0.575 -7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.610 2.020 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.962 0.562 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.290 0.528 -6.971 1.00 0.00 H new ATOM 913 N VAL A 58 3.543 2.298 -9.211 1.00 0.00 N ATOM 914 CA VAL A 58 4.972 2.505 -9.023 1.00 0.00 C ATOM 915 C VAL A 58 5.570 3.165 -10.252 1.00 0.00 C ATOM 916 O VAL A 58 6.353 4.108 -10.152 1.00 0.00 O ATOM 917 CB VAL A 58 5.715 1.182 -8.753 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.170 1.446 -8.402 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.037 0.401 -7.642 1.00 0.00 C ATOM 0 H VAL A 58 3.288 1.914 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 58 5.092 3.150 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 58 5.682 0.584 -9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.677 0.499 -8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.657 1.961 -9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.222 2.068 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.578 -0.529 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.035 0.995 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.010 0.175 -7.930 1.00 0.00 H new ATOM 929 N GLY A 59 5.175 2.660 -11.417 1.00 0.00 N ATOM 930 CA GLY A 59 5.652 3.197 -12.673 1.00 0.00 C ATOM 931 C GLY A 59 7.117 2.925 -12.934 1.00 0.00 C ATOM 932 O GLY A 59 7.509 2.598 -14.054 1.00 0.00 O ATOM 0 H GLY A 59 4.525 1.879 -11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.063 2.773 -13.486 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.484 4.274 -12.685 1.00 0.00 H new ATOM 936 N ILE A 60 7.920 3.069 -11.903 1.00 0.00 N ATOM 937 CA ILE A 60 9.353 2.851 -12.005 1.00 0.00 C ATOM 938 C ILE A 60 9.686 1.367 -12.008 1.00 0.00 C ATOM 939 O ILE A 60 8.797 0.515 -11.999 1.00 0.00 O ATOM 940 CB ILE A 60 10.138 3.522 -10.853 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.267 3.772 -9.624 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.778 4.818 -11.325 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.050 3.745 -8.328 1.00 0.00 C ATOM 0 H ILE A 60 7.603 3.339 -10.972 1.00 0.00 H new ATOM 0 HA ILE A 60 9.655 3.306 -12.948 1.00 0.00 H new ATOM 0 HB ILE A 60 10.922 2.827 -10.554 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.775 4.740 -9.725 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.481 3.018 -9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.325 5.275 -10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.465 4.607 -12.144 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.003 5.502 -11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.376 3.929 -7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.520 2.769 -8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.819 4.517 -8.351 1.00 0.00 H new ATOM 955 N THR A 61 10.980 1.070 -12.025 1.00 0.00 N ATOM 956 CA THR A 61 11.462 -0.291 -12.028 1.00 0.00 C ATOM 957 C THR A 61 12.199 -0.590 -10.729 1.00 0.00 C ATOM 958 O THR A 61 13.406 -0.372 -10.631 1.00 0.00 O ATOM 959 CB THR A 61 12.409 -0.458 -13.202 1.00 0.00 C ATOM 960 OG1 THR A 61 13.052 0.770 -13.499 1.00 0.00 O ATOM 961 CG2 THR A 61 11.722 -0.929 -14.463 1.00 0.00 C ATOM 0 H THR A 61 11.719 1.773 -12.037 1.00 0.00 H new ATOM 0 HA THR A 61 10.623 -0.981 -12.116 1.00 0.00 H new ATOM 0 HB THR A 61 13.125 -1.219 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.661 0.646 -14.257 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.456 -1.027 -15.262 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.251 -1.895 -14.282 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.962 -0.204 -14.756 1.00 0.00 H new ATOM 969 N PRO A 62 11.480 -1.050 -9.696 1.00 0.00 N ATOM 970 CA PRO A 62 12.046 -1.325 -8.394 1.00 0.00 C ATOM 971 C PRO A 62 12.110 -2.803 -8.051 1.00 0.00 C ATOM 972 O PRO A 62 11.235 -3.574 -8.446 1.00 0.00 O ATOM 973 CB PRO A 62 10.988 -0.665 -7.529 1.00 0.00 C ATOM 974 CG PRO A 62 9.699 -1.043 -8.196 1.00 0.00 C ATOM 975 CD PRO A 62 10.030 -1.282 -9.656 1.00 0.00 C ATOM 0 HA PRO A 62 13.076 -0.982 -8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.028 -1.026 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.118 0.417 -7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.274 -1.938 -7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.959 -0.250 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.772 -2.293 -9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.491 -0.598 -10.311 1.00 0.00 H new ATOM 983 N GLN A 63 13.101 -3.188 -7.253 1.00 0.00 N ATOM 984 CA GLN A 63 13.182 -4.565 -6.812 1.00 0.00 C ATOM 985 C GLN A 63 12.104 -4.732 -5.758 1.00 0.00 C ATOM 986 O GLN A 63 12.356 -4.651 -4.555 1.00 0.00 O ATOM 987 CB GLN A 63 14.563 -4.882 -6.238 1.00 0.00 C ATOM 988 CG GLN A 63 15.656 -4.951 -7.290 1.00 0.00 C ATOM 989 CD GLN A 63 17.032 -5.164 -6.689 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.166 -5.716 -5.597 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.063 -4.725 -7.401 1.00 0.00 N ATOM 0 H GLN A 63 13.841 -2.577 -6.908 1.00 0.00 H new ATOM 0 HA GLN A 63 13.033 -5.253 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.825 -4.121 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.518 -5.834 -5.709 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.437 -5.763 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.656 -4.028 -7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.905 -4.273 -8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.013 -4.840 -7.047 1.00 0.00 H new ATOM 1000 N HIS A 64 10.888 -4.902 -6.246 1.00 0.00 N ATOM 1001 CA HIS A 64 9.710 -5.012 -5.406 1.00 0.00 C ATOM 1002 C HIS A 64 8.979 -6.312 -5.695 1.00 0.00 C ATOM 1003 O HIS A 64 8.715 -6.633 -6.854 1.00 0.00 O ATOM 1004 CB HIS A 64 8.818 -3.801 -5.704 1.00 0.00 C ATOM 1005 CG HIS A 64 7.372 -3.957 -5.333 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.917 -4.865 -4.402 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.274 -3.300 -5.778 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.605 -4.762 -4.293 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.190 -3.819 -5.115 1.00 0.00 N ATOM 0 H HIS A 64 10.689 -4.968 -7.244 1.00 0.00 H new ATOM 0 HA HIS A 64 9.985 -5.023 -4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.220 -2.937 -5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.880 -3.579 -6.769 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.503 -5.516 -3.878 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.255 -2.513 -6.518 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.978 -5.351 -3.640 1.00 0.00 H new ATOM 1018 N PHE A 65 8.671 -7.076 -4.650 1.00 0.00 N ATOM 1019 CA PHE A 65 7.996 -8.346 -4.850 1.00 0.00 C ATOM 1020 C PHE A 65 7.650 -9.044 -3.544 1.00 0.00 C ATOM 1021 O PHE A 65 6.593 -9.662 -3.416 1.00 0.00 O ATOM 1022 CB PHE A 65 8.905 -9.244 -5.666 1.00 0.00 C ATOM 1023 CG PHE A 65 8.175 -10.289 -6.461 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.591 -11.377 -5.835 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.070 -10.175 -7.838 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.915 -12.335 -6.568 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.396 -11.129 -8.576 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.817 -12.210 -7.941 1.00 0.00 C ATOM 0 H PHE A 65 8.874 -6.841 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 65 7.056 -8.148 -5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.492 -8.628 -6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.609 -9.737 -4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.664 -11.479 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.520 -9.331 -8.340 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.464 -13.180 -6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.322 -11.029 -9.649 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.289 -12.956 -8.516 1.00 0.00 H new ATOM 1038 N SER A 66 8.564 -8.962 -2.596 1.00 0.00 N ATOM 1039 CA SER A 66 8.399 -9.606 -1.292 1.00 0.00 C ATOM 1040 C SER A 66 6.970 -9.469 -0.768 1.00 0.00 C ATOM 1041 O SER A 66 6.209 -8.616 -1.221 1.00 0.00 O ATOM 1042 CB SER A 66 9.390 -9.020 -0.283 1.00 0.00 C ATOM 1043 OG SER A 66 10.717 -9.415 -0.585 1.00 0.00 O ATOM 0 H SER A 66 9.441 -8.451 -2.700 1.00 0.00 H new ATOM 0 HA SER A 66 8.603 -10.669 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.320 -7.932 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.129 -9.350 0.722 1.00 0.00 H new ATOM 0 HG SER A 66 11.331 -9.027 0.072 1.00 0.00 H new ATOM 1049 N LEU A 67 6.611 -10.327 0.183 1.00 0.00 N ATOM 1050 CA LEU A 67 5.289 -10.321 0.766 1.00 0.00 C ATOM 1051 C LEU A 67 5.358 -9.963 2.248 1.00 0.00 C ATOM 1052 O LEU A 67 5.986 -10.667 3.038 1.00 0.00 O ATOM 1053 CB LEU A 67 4.633 -11.695 0.586 1.00 0.00 C ATOM 1054 CG LEU A 67 3.106 -11.714 0.689 1.00 0.00 C ATOM 1055 CD1 LEU A 67 2.626 -13.026 1.288 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.622 -10.540 1.519 1.00 0.00 C ATOM 0 H LEU A 67 7.232 -11.041 0.565 1.00 0.00 H new ATOM 0 HA LEU A 67 4.687 -9.568 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.919 -12.090 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.039 -12.373 1.336 1.00 0.00 H new ATOM 0 HG LEU A 67 2.689 -11.626 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.538 -13.020 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.947 -13.854 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.048 -13.147 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.534 -10.565 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.048 -10.602 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.936 -9.608 1.049 1.00 0.00 H new ATOM 1068 N PHE A 68 4.703 -8.867 2.617 1.00 0.00 N ATOM 1069 CA PHE A 68 4.685 -8.419 4.005 1.00 0.00 C ATOM 1070 C PHE A 68 3.549 -9.100 4.766 1.00 0.00 C ATOM 1071 O PHE A 68 3.772 -9.754 5.786 1.00 0.00 O ATOM 1072 CB PHE A 68 4.542 -6.887 4.052 1.00 0.00 C ATOM 1073 CG PHE A 68 3.728 -6.358 5.206 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.344 -6.327 5.138 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.347 -5.887 6.352 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.593 -5.838 6.188 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.601 -5.397 7.408 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.223 -5.372 7.325 1.00 0.00 C ATOM 0 H PHE A 68 4.178 -8.273 1.975 1.00 0.00 H new ATOM 0 HA PHE A 68 5.623 -8.695 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.538 -6.445 4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.086 -6.551 3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.846 -6.690 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.425 -5.903 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.515 -5.820 6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.096 -5.034 8.297 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.639 -4.988 8.148 1.00 0.00 H new ATOM 1088 N GLU A 69 2.333 -8.942 4.259 1.00 0.00 N ATOM 1089 CA GLU A 69 1.156 -9.538 4.875 1.00 0.00 C ATOM 1090 C GLU A 69 -0.061 -9.356 3.976 1.00 0.00 C ATOM 1091 O GLU A 69 -0.203 -8.331 3.316 1.00 0.00 O ATOM 1092 CB GLU A 69 0.897 -8.909 6.247 1.00 0.00 C ATOM 1093 CG GLU A 69 0.642 -9.930 7.344 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.764 -9.849 7.905 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -1.655 -9.331 7.199 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -0.974 -10.303 9.049 1.00 0.00 O ATOM 0 H GLU A 69 2.136 -8.402 3.416 1.00 0.00 H new ATOM 0 HA GLU A 69 1.337 -10.605 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.754 -8.296 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.038 -8.242 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.814 -10.931 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.360 -9.778 8.150 1.00 0.00 H new ATOM 1103 N LYS A 70 -0.938 -10.347 3.952 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.136 -10.269 3.128 1.00 0.00 C ATOM 1105 C LYS A 70 -3.328 -10.894 3.846 1.00 0.00 C ATOM 1106 O LYS A 70 -3.366 -12.105 4.064 1.00 0.00 O ATOM 1107 CB LYS A 70 -1.906 -10.969 1.788 1.00 0.00 C ATOM 1108 CG LYS A 70 -1.255 -12.337 1.920 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.241 -13.458 1.627 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.545 -13.559 0.141 1.00 0.00 C ATOM 1111 NZ LYS A 70 -1.308 -13.503 -0.684 1.00 0.00 N ATOM 0 H LYS A 70 -0.845 -11.209 4.489 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.355 -9.217 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.862 -11.079 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.279 -10.336 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.411 -12.406 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.858 -12.456 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.833 -14.405 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.166 -13.284 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.073 -14.492 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.212 -12.747 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.557 -13.592 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.826 -12.595 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.675 -14.283 -0.414 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.299 -10.064 4.214 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.487 -10.545 4.910 1.00 0.00 C ATOM 1127 C LEU A 71 -6.758 -10.128 4.176 1.00 0.00 C ATOM 1128 O LEU A 71 -6.751 -9.189 3.382 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.514 -10.012 6.344 1.00 0.00 C ATOM 1130 CG LEU A 71 -5.394 -8.492 6.475 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.698 -7.816 6.074 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -5.006 -8.111 7.896 1.00 0.00 C ATOM 0 H LEU A 71 -4.287 -9.059 4.043 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.446 -11.634 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.444 -10.329 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.700 -10.474 6.902 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.610 -8.147 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.593 -6.736 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.933 -8.064 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.502 -8.164 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.925 -7.027 7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.768 -8.468 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.047 -8.565 8.146 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.849 -10.837 4.450 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.129 -10.549 3.821 1.00 0.00 C ATOM 1146 C GLU A 72 -10.254 -10.572 4.856 1.00 0.00 C ATOM 1147 O GLU A 72 -10.614 -11.632 5.370 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.402 -11.566 2.706 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.874 -11.716 2.352 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.093 -12.566 1.116 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.426 -13.614 0.990 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.932 -12.183 0.274 1.00 0.00 O ATOM 0 H GLU A 72 -7.870 -11.618 5.106 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.090 -9.551 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.853 -11.267 1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.011 -12.537 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.403 -12.163 3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.308 -10.729 2.191 1.00 0.00 H new ATOM 1159 N TYR A 73 -10.804 -9.400 5.154 1.00 0.00 N ATOM 1160 CA TYR A 73 -11.887 -9.288 6.125 1.00 0.00 C ATOM 1161 C TYR A 73 -13.089 -8.574 5.514 1.00 0.00 C ATOM 1162 O TYR A 73 -12.938 -7.741 4.621 1.00 0.00 O ATOM 1163 CB TYR A 73 -11.411 -8.538 7.371 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.060 -7.090 7.110 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -12.049 -6.118 7.026 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -9.738 -6.696 6.946 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -11.731 -4.795 6.787 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -9.412 -5.375 6.707 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.411 -4.428 6.628 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.091 -3.111 6.389 1.00 0.00 O ATOM 0 H TYR A 73 -10.518 -8.514 4.737 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.190 -10.295 6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.191 -8.583 8.131 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.538 -9.047 7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.084 -6.401 7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.952 -7.434 7.006 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.512 -4.052 6.725 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.379 -5.085 6.583 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.535 -2.541 7.051 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.281 -8.902 6.001 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.502 -8.284 5.499 1.00 0.00 C ATOM 1182 C GLU A 74 -16.258 -7.576 6.616 1.00 0.00 C ATOM 1183 O GLU A 74 -16.485 -8.140 7.686 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.406 -9.327 4.838 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.519 -10.623 5.622 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.986 -11.784 4.766 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.162 -11.776 4.345 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.176 -12.700 4.514 1.00 0.00 O ATOM 0 H GLU A 74 -14.427 -9.590 6.740 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.214 -7.544 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.402 -8.903 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.023 -9.548 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.550 -10.865 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.215 -10.483 6.449 1.00 0.00 H new ATOM 1195 N PHE A 75 -16.647 -6.336 6.351 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.382 -5.533 7.313 1.00 0.00 C ATOM 1197 C PHE A 75 -18.862 -5.917 7.316 1.00 0.00 C ATOM 1198 O PHE A 75 -19.343 -6.557 6.383 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.217 -4.050 6.978 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.226 -3.341 7.857 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -14.878 -3.656 7.796 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.641 -2.360 8.743 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -13.963 -3.007 8.601 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.730 -1.707 9.552 1.00 0.00 C ATOM 1205 CZ PHE A 75 -14.389 -2.031 9.481 1.00 0.00 C ATOM 0 H PHE A 75 -16.462 -5.862 5.467 1.00 0.00 H new ATOM 0 HA PHE A 75 -16.981 -5.721 8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.902 -3.954 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.185 -3.557 7.065 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.539 -4.418 7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -17.688 -2.103 8.802 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.915 -3.262 8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.066 -0.944 10.239 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.675 -1.522 10.112 1.00 0.00 H new ATOM 1215 N PRO A 76 -19.601 -5.533 8.371 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.030 -5.833 8.502 1.00 0.00 C ATOM 1217 C PRO A 76 -21.831 -5.378 7.287 1.00 0.00 C ATOM 1218 O PRO A 76 -22.427 -4.303 7.295 1.00 0.00 O ATOM 1219 CB PRO A 76 -21.462 -5.052 9.753 1.00 0.00 C ATOM 1220 CG PRO A 76 -20.346 -4.103 10.031 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.105 -4.768 9.516 1.00 0.00 C ATOM 0 HA PRO A 76 -21.209 -6.906 8.579 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -22.397 -4.519 9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -21.628 -5.722 10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.512 -3.147 9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -20.265 -3.897 11.098 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.349 -4.041 9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -18.650 -5.413 10.267 1.00 0.00 H new ATOM 1229 N ASP A 77 -21.822 -6.219 6.251 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.530 -5.969 4.984 1.00 0.00 C ATOM 1231 C ASP A 77 -21.572 -5.460 3.905 1.00 0.00 C ATOM 1232 O ASP A 77 -22.004 -5.002 2.846 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.712 -4.996 5.165 1.00 0.00 C ATOM 1234 CG ASP A 77 -23.350 -3.541 4.897 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -22.192 -3.156 5.162 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -24.229 -2.791 4.422 1.00 0.00 O ATOM 0 H ASP A 77 -21.318 -7.106 6.264 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.939 -6.925 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.520 -5.290 4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.093 -5.086 6.182 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.273 -5.548 4.176 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.259 -5.105 3.227 1.00 0.00 C ATOM 1243 C ARG A 78 -18.110 -6.108 3.162 1.00 0.00 C ATOM 1244 O ARG A 78 -17.814 -6.787 4.145 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.731 -3.723 3.626 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.107 -2.953 2.474 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.921 -1.481 2.816 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.266 -1.290 4.111 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.631 -0.171 4.463 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.561 0.854 3.622 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.069 -0.074 5.662 1.00 0.00 N ATOM 0 H ARG A 78 -19.898 -5.923 5.047 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.716 -5.038 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.550 -3.137 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.990 -3.841 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.142 -3.393 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.739 -3.044 1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.328 -1.001 2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.893 -0.987 2.826 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.297 -2.057 4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.994 0.788 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.074 1.707 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.123 -0.856 6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.584 0.782 5.930 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.466 -6.201 2.003 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.351 -7.125 1.824 1.00 0.00 C ATOM 1267 C HIS A 79 -15.128 -6.394 1.282 1.00 0.00 C ATOM 1268 O HIS A 79 -15.119 -5.942 0.137 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.745 -8.261 0.877 1.00 0.00 C ATOM 1270 CG HIS A 79 -18.093 -8.843 1.168 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -18.289 -9.878 2.058 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -19.319 -8.530 0.684 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -19.576 -10.177 2.107 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -20.221 -9.373 1.283 1.00 0.00 N ATOM 0 H HIS A 79 -17.696 -5.650 1.176 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.100 -7.548 2.797 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.732 -7.890 -0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.996 -9.051 0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -19.545 -7.760 -0.039 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -20.023 -10.948 2.717 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -21.228 -9.377 1.118 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.100 -6.270 2.115 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.880 -5.586 1.723 1.00 0.00 C ATOM 1285 C ILE A 80 -11.671 -6.513 1.808 1.00 0.00 C ATOM 1286 O ILE A 80 -11.340 -7.022 2.879 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.631 -4.341 2.608 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.182 -3.866 2.482 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.960 -4.649 4.062 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.874 -2.629 3.295 1.00 0.00 C ATOM 0 H ILE A 80 -14.091 -6.636 3.067 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.011 -5.270 0.688 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.286 -3.541 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.517 -4.671 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.965 -3.664 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.780 -3.763 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.007 -4.939 4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.329 -5.465 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.829 -2.353 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.513 -1.809 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.058 -2.832 4.350 1.00 0.00 H new ATOM 1302 N THR A 81 -11.001 -6.702 0.680 1.00 0.00 N ATOM 1303 CA THR A 81 -9.811 -7.539 0.634 1.00 0.00 C ATOM 1304 C THR A 81 -8.572 -6.652 0.587 1.00 0.00 C ATOM 1305 O THR A 81 -8.404 -5.860 -0.340 1.00 0.00 O ATOM 1306 CB THR A 81 -9.851 -8.465 -0.584 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.163 -8.536 -1.117 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.405 -9.877 -0.275 1.00 0.00 C ATOM 0 H THR A 81 -11.261 -6.287 -0.215 1.00 0.00 H new ATOM 0 HA THR A 81 -9.776 -8.160 1.529 1.00 0.00 H new ATOM 0 HB THR A 81 -9.156 -8.030 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.249 -9.342 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.457 -10.481 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.379 -9.862 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.057 -10.306 0.486 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.717 -6.769 1.597 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.514 -5.949 1.662 1.00 0.00 C ATOM 1318 C LEU A 82 -5.248 -6.801 1.668 1.00 0.00 C ATOM 1319 O LEU A 82 -4.984 -7.535 2.621 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.559 -5.069 2.917 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.524 -3.559 2.663 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.725 -3.125 1.845 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.477 -2.799 3.980 1.00 0.00 C ATOM 0 H LEU A 82 -7.833 -7.418 2.375 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.485 -5.322 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.466 -5.306 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.716 -5.332 3.555 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.622 -3.329 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.681 -2.049 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.719 -3.643 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.640 -3.370 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.453 -1.728 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.362 -3.038 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.583 -3.086 4.534 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.459 -6.684 0.602 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.209 -7.426 0.485 1.00 0.00 C ATOM 1337 C TRP A 83 -2.023 -6.484 0.599 1.00 0.00 C ATOM 1338 O TRP A 83 -1.899 -5.531 -0.168 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.143 -8.179 -0.844 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.172 -9.252 -0.956 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.455 -9.187 -0.512 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.010 -10.550 -1.538 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.109 -10.360 -0.784 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.244 -11.216 -1.414 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -2.946 -11.214 -2.155 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.442 -12.512 -1.882 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.143 -12.501 -2.619 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.383 -13.137 -2.482 1.00 0.00 C ATOM 0 H TRP A 83 -4.665 -6.081 -0.194 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.171 -8.151 1.298 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.273 -7.472 -1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.152 -8.620 -0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.895 -8.334 -0.017 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.082 -10.563 -0.555 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.987 -10.730 -2.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.396 -13.006 -1.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.327 -13.025 -3.095 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.506 -14.142 -2.858 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.158 -6.753 1.562 1.00 0.00 N ATOM 1360 CA PHE A 84 0.021 -5.920 1.777 1.00 0.00 C ATOM 1361 C PHE A 84 1.296 -6.667 1.385 1.00 0.00 C ATOM 1362 O PHE A 84 1.705 -7.619 2.047 1.00 0.00 O ATOM 1363 CB PHE A 84 0.089 -5.443 3.235 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.977 -4.442 3.589 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.304 -4.698 3.290 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.657 -3.243 4.214 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.290 -3.787 3.601 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.644 -2.324 4.525 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.963 -2.597 4.218 1.00 0.00 C ATOM 0 H PHE A 84 -1.246 -7.538 2.207 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.062 -5.042 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.000 -6.305 3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.068 -5.000 3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.571 -5.626 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.372 -3.026 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.320 -4.005 3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.383 -1.394 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.735 -1.882 4.460 1.00 0.00 H new ATOM 1379 N TRP A 85 1.911 -6.228 0.289 1.00 0.00 N ATOM 1380 CA TRP A 85 3.130 -6.851 -0.220 1.00 0.00 C ATOM 1381 C TRP A 85 4.377 -6.087 0.219 1.00 0.00 C ATOM 1382 O TRP A 85 4.343 -4.872 0.404 1.00 0.00 O ATOM 1383 CB TRP A 85 3.079 -6.939 -1.745 1.00 0.00 C ATOM 1384 CG TRP A 85 1.970 -7.811 -2.248 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.629 -7.587 -2.118 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.104 -9.050 -2.954 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.078 -8.610 -2.703 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.804 -9.520 -3.223 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.196 -9.807 -3.385 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.569 -10.712 -3.905 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.961 -10.990 -4.062 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.657 -11.431 -4.316 1.00 0.00 C ATOM 0 H TRP A 85 1.582 -5.438 -0.266 1.00 0.00 H new ATOM 0 HA TRP A 85 3.189 -7.856 0.198 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.960 -5.937 -2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.030 -7.324 -2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.189 -6.731 -1.627 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.095 -8.680 -2.743 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.205 -9.475 -3.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.436 -11.056 -4.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.798 -11.583 -4.400 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.507 -12.359 -4.848 1.00 0.00 H new ATOM 1403 N LEU A 86 5.475 -6.816 0.394 1.00 0.00 N ATOM 1404 CA LEU A 86 6.735 -6.220 0.822 1.00 0.00 C ATOM 1405 C LEU A 86 7.664 -5.950 -0.364 1.00 0.00 C ATOM 1406 O LEU A 86 7.786 -6.760 -1.281 1.00 0.00 O ATOM 1407 CB LEU A 86 7.428 -7.121 1.843 1.00 0.00 C ATOM 1408 CG LEU A 86 8.380 -6.404 2.801 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.854 -7.352 3.891 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.566 -5.826 2.041 1.00 0.00 C ATOM 0 H LEU A 86 5.517 -7.824 0.245 1.00 0.00 H new ATOM 0 HA LEU A 86 6.506 -5.262 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.665 -7.633 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.987 -7.888 1.307 1.00 0.00 H new ATOM 0 HG LEU A 86 7.840 -5.582 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.531 -6.824 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.995 -7.718 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.377 -8.195 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.233 -5.319 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.106 -6.631 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.209 -5.113 1.297 1.00 0.00 H new ATOM 1422 N VAL A 87 8.309 -4.793 -0.321 1.00 0.00 N ATOM 1423 CA VAL A 87 9.240 -4.355 -1.361 1.00 0.00 C ATOM 1424 C VAL A 87 10.634 -4.258 -0.810 1.00 0.00 C ATOM 1425 O VAL A 87 10.810 -3.936 0.363 1.00 0.00 O ATOM 1426 CB VAL A 87 8.876 -2.979 -1.896 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.833 -2.551 -3.000 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.436 -2.973 -2.373 1.00 0.00 C ATOM 0 H VAL A 87 8.203 -4.124 0.441 1.00 0.00 H new ATOM 0 HA VAL A 87 9.182 -5.093 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 87 8.971 -2.252 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.550 -1.564 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.849 -2.515 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.786 -3.268 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.183 -1.984 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.312 -3.710 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.776 -3.221 -1.541 1.00 0.00 H new ATOM 1438 N GLU A 88 11.629 -4.550 -1.629 1.00 0.00 N ATOM 1439 CA GLU A 88 12.991 -4.484 -1.134 1.00 0.00 C ATOM 1440 C GLU A 88 13.801 -3.301 -1.687 1.00 0.00 C ATOM 1441 O GLU A 88 14.752 -2.863 -1.040 1.00 0.00 O ATOM 1442 CB GLU A 88 13.731 -5.796 -1.409 1.00 0.00 C ATOM 1443 CG GLU A 88 12.830 -7.021 -1.419 1.00 0.00 C ATOM 1444 CD GLU A 88 13.591 -8.302 -1.699 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.273 -8.800 -0.779 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.503 -8.807 -2.838 1.00 0.00 O ATOM 0 H GLU A 88 11.527 -4.826 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 88 12.904 -4.322 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.237 -5.721 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.504 -5.932 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.326 -7.105 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.055 -6.891 -2.174 1.00 0.00 H new ATOM 1453 N ARG A 89 13.458 -2.786 -2.868 1.00 0.00 N ATOM 1454 CA ARG A 89 14.217 -1.670 -3.436 1.00 0.00 C ATOM 1455 C ARG A 89 13.442 -0.978 -4.555 1.00 0.00 C ATOM 1456 O ARG A 89 12.472 -1.525 -5.073 1.00 0.00 O ATOM 1457 CB ARG A 89 15.587 -2.168 -3.929 1.00 0.00 C ATOM 1458 CG ARG A 89 16.052 -1.565 -5.249 1.00 0.00 C ATOM 1459 CD ARG A 89 17.362 -2.181 -5.715 1.00 0.00 C ATOM 1460 NE ARG A 89 18.421 -1.182 -5.845 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.418 -0.213 -6.758 1.00 0.00 C ATOM 1462 NH1 ARG A 89 17.415 -0.109 -7.621 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.420 0.653 -6.808 1.00 0.00 N ATOM 0 H ARG A 89 12.679 -3.113 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 89 14.376 -0.927 -2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.333 -1.951 -3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.546 -3.252 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.286 -1.718 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.176 -0.488 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.673 -2.949 -5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.209 -2.675 -6.675 1.00 0.00 H new ATOM 0 HE ARG A 89 19.208 -1.230 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.642 -0.773 -7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.417 0.635 -8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.193 0.577 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.418 1.395 -7.507 1.00 0.00 H new ATOM 1477 N TRP A 90 13.892 0.217 -4.935 1.00 0.00 N ATOM 1478 CA TRP A 90 13.247 0.964 -6.010 1.00 0.00 C ATOM 1479 C TRP A 90 14.209 1.965 -6.648 1.00 0.00 C ATOM 1480 O TRP A 90 14.777 2.817 -5.967 1.00 0.00 O ATOM 1481 CB TRP A 90 11.973 1.649 -5.496 1.00 0.00 C ATOM 1482 CG TRP A 90 12.163 3.032 -4.951 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.452 4.163 -5.661 1.00 0.00 C ATOM 1484 CD2 TRP A 90 12.042 3.433 -3.584 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.522 5.242 -4.816 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.274 4.820 -3.536 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.762 2.753 -2.395 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.231 5.540 -2.347 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.719 3.470 -1.214 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.951 4.851 -1.198 1.00 0.00 C ATOM 0 H TRP A 90 14.696 0.685 -4.516 1.00 0.00 H new ATOM 0 HA TRP A 90 12.958 0.260 -6.791 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.251 1.694 -6.311 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.535 1.026 -4.716 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.603 4.202 -6.730 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.725 6.202 -5.095 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.583 1.688 -2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.412 6.605 -2.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.503 2.957 -0.289 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.908 5.383 -0.259 1.00 0.00 H new ATOM 1501 N GLU A 91 14.392 1.845 -7.966 1.00 0.00 N ATOM 1502 CA GLU A 91 15.290 2.734 -8.694 1.00 0.00 C ATOM 1503 C GLU A 91 14.627 4.080 -8.966 1.00 0.00 C ATOM 1504 O GLU A 91 13.403 4.177 -9.045 1.00 0.00 O ATOM 1505 CB GLU A 91 15.720 2.089 -10.013 1.00 0.00 C ATOM 1506 CG GLU A 91 16.694 2.936 -10.817 1.00 0.00 C ATOM 1507 CD GLU A 91 15.994 3.863 -11.790 1.00 0.00 C ATOM 1508 OE1 GLU A 91 14.881 3.520 -12.241 1.00 0.00 O ATOM 1509 OE2 GLU A 91 16.559 4.933 -12.102 1.00 0.00 O ATOM 0 H GLU A 91 13.931 1.143 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 91 16.171 2.904 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.180 1.123 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.835 1.895 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.306 3.526 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.371 2.282 -11.367 1.00 0.00 H new ATOM 1516 N GLY A 92 15.446 5.118 -9.111 1.00 0.00 N ATOM 1517 CA GLY A 92 14.924 6.446 -9.373 1.00 0.00 C ATOM 1518 C GLY A 92 13.921 6.894 -8.327 1.00 0.00 C ATOM 1519 O GLY A 92 14.171 6.776 -7.128 1.00 0.00 O ATOM 0 H GLY A 92 16.463 5.062 -9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.750 7.157 -9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.450 6.459 -10.355 1.00 0.00 H new ATOM 1523 N GLU A 93 12.783 7.407 -8.783 1.00 0.00 N ATOM 1524 CA GLU A 93 11.739 7.872 -7.879 1.00 0.00 C ATOM 1525 C GLU A 93 10.419 7.157 -8.164 1.00 0.00 C ATOM 1526 O GLU A 93 10.101 6.868 -9.318 1.00 0.00 O ATOM 1527 CB GLU A 93 11.553 9.384 -8.016 1.00 0.00 C ATOM 1528 CG GLU A 93 12.669 10.195 -7.378 1.00 0.00 C ATOM 1529 CD GLU A 93 12.202 11.557 -6.904 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.088 11.641 -6.345 1.00 0.00 O ATOM 1531 OE2 GLU A 93 12.951 12.539 -7.091 1.00 0.00 O ATOM 0 H GLU A 93 12.561 7.511 -9.773 1.00 0.00 H new ATOM 0 HA GLU A 93 12.045 7.643 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.489 9.639 -9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.604 9.667 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.078 9.641 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.478 10.322 -8.098 1.00 0.00 H new ATOM 1538 N PRO A 94 9.626 6.867 -7.117 1.00 0.00 N ATOM 1539 CA PRO A 94 8.337 6.194 -7.263 1.00 0.00 C ATOM 1540 C PRO A 94 7.267 7.140 -7.777 1.00 0.00 C ATOM 1541 O PRO A 94 7.071 8.223 -7.226 1.00 0.00 O ATOM 1542 CB PRO A 94 7.996 5.728 -5.837 1.00 0.00 C ATOM 1543 CG PRO A 94 9.184 6.074 -4.995 1.00 0.00 C ATOM 1544 CD PRO A 94 9.899 7.179 -5.714 1.00 0.00 C ATOM 0 HA PRO A 94 8.384 5.377 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.098 6.225 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.800 4.656 -5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.876 6.393 -3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.835 5.209 -4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.516 8.160 -5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.967 7.180 -5.498 1.00 0.00 H new ATOM 1552 N TRP A 95 6.567 6.734 -8.828 1.00 0.00 N ATOM 1553 CA TRP A 95 5.518 7.570 -9.384 1.00 0.00 C ATOM 1554 C TRP A 95 4.250 6.776 -9.646 1.00 0.00 C ATOM 1555 O TRP A 95 3.188 7.093 -9.111 1.00 0.00 O ATOM 1556 CB TRP A 95 5.977 8.259 -10.674 1.00 0.00 C ATOM 1557 CG TRP A 95 6.578 7.352 -11.716 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.899 7.048 -11.865 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.891 6.655 -12.770 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.082 6.230 -12.956 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.866 5.976 -13.528 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.548 6.544 -13.149 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.542 5.206 -14.643 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.230 5.774 -14.253 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.222 5.118 -14.992 1.00 0.00 C ATOM 0 H TRP A 95 6.705 5.843 -9.305 1.00 0.00 H new ATOM 0 HA TRP A 95 5.297 8.335 -8.640 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.123 8.773 -11.114 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.710 9.023 -10.416 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.689 7.399 -11.218 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.979 5.871 -13.285 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.775 7.050 -12.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.306 4.697 -15.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.196 5.677 -14.551 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.940 4.531 -15.854 1.00 0.00 H new ATOM 1576 N GLY A 96 4.367 5.749 -10.477 1.00 0.00 N ATOM 1577 CA GLY A 96 3.216 4.923 -10.809 1.00 0.00 C ATOM 1578 C GLY A 96 1.948 5.731 -11.028 1.00 0.00 C ATOM 1579 O GLY A 96 1.728 6.277 -12.108 1.00 0.00 O ATOM 0 H GLY A 96 5.238 5.471 -10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.435 4.350 -11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.048 4.204 -10.007 1.00 0.00 H new ATOM 1583 N LYS A 97 1.114 5.803 -9.992 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.142 6.546 -10.062 1.00 0.00 C ATOM 1585 C LYS A 97 -0.939 6.399 -8.766 1.00 0.00 C ATOM 1586 O LYS A 97 -2.168 6.328 -8.788 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.985 6.065 -11.248 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.627 7.195 -12.035 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.893 7.696 -11.361 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.971 8.034 -12.378 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.846 6.865 -12.669 1.00 0.00 N ATOM 0 H LYS A 97 1.286 5.354 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 97 0.101 7.599 -10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.355 5.479 -11.917 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.766 5.399 -10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.918 8.017 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.862 6.850 -13.042 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.265 6.936 -10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.664 8.580 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.578 8.858 -12.003 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.504 8.377 -13.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.171 6.911 -13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.311 5.986 -12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.669 6.880 -12.033 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.232 6.355 -7.641 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.877 6.216 -6.338 1.00 0.00 C ATOM 1607 C GLU A 98 -1.786 7.408 -6.051 1.00 0.00 C ATOM 1608 O GLU A 98 -2.916 7.239 -5.593 1.00 0.00 O ATOM 1609 CB GLU A 98 0.177 6.082 -5.235 1.00 0.00 C ATOM 1610 CG GLU A 98 1.296 7.108 -5.326 1.00 0.00 C ATOM 1611 CD GLU A 98 1.263 8.112 -4.190 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.155 8.422 -3.704 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.345 8.586 -3.786 1.00 0.00 O ATOM 0 H GLU A 98 0.786 6.413 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.488 5.314 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.312 6.176 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.609 5.082 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.257 6.593 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.222 7.638 -6.276 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.293 8.611 -6.330 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.085 9.805 -6.099 1.00 0.00 C ATOM 1622 C GLY A 99 -1.295 10.928 -5.452 1.00 0.00 C ATOM 1623 O GLY A 99 -1.045 11.959 -6.078 1.00 0.00 O ATOM 0 H GLY A 99 -0.362 8.780 -6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.490 10.154 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.934 9.553 -5.464 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.911 10.735 -4.194 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.157 11.748 -3.460 1.00 0.00 C ATOM 1629 C GLN A 100 1.277 11.301 -3.202 1.00 0.00 C ATOM 1630 O GLN A 100 1.531 10.448 -2.352 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.850 12.072 -2.133 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.533 10.876 -1.487 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.271 11.241 -0.214 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.287 11.936 -0.248 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -1.763 10.774 0.921 1.00 0.00 N ATOM 0 H GLN A 100 -1.109 9.888 -3.661 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.125 12.646 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.113 12.476 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.591 12.853 -2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.235 10.437 -2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.787 10.114 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.919 10.201 0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.217 10.988 1.809 1.00 0.00 H new ATOM 1644 N PRO A 101 2.238 11.890 -3.933 1.00 0.00 N ATOM 1645 CA PRO A 101 3.661 11.572 -3.786 1.00 0.00 C ATOM 1646 C PRO A 101 4.091 11.462 -2.325 1.00 0.00 C ATOM 1647 O PRO A 101 3.571 12.168 -1.461 1.00 0.00 O ATOM 1648 CB PRO A 101 4.327 12.773 -4.448 1.00 0.00 C ATOM 1649 CG PRO A 101 3.386 13.157 -5.531 1.00 0.00 C ATOM 1650 CD PRO A 101 2.013 12.926 -4.965 1.00 0.00 C ATOM 0 HA PRO A 101 3.922 10.608 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.474 13.588 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.309 12.516 -4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.522 14.199 -5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.549 12.555 -6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.597 13.837 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.315 12.586 -5.730 1.00 0.00 H new ATOM 1658 N GLY A 102 5.040 10.570 -2.056 1.00 0.00 N ATOM 1659 CA GLY A 102 5.517 10.383 -0.696 1.00 0.00 C ATOM 1660 C GLY A 102 7.024 10.536 -0.574 1.00 0.00 C ATOM 1661 O GLY A 102 7.719 10.736 -1.570 1.00 0.00 O ATOM 0 H GLY A 102 5.487 9.974 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.029 11.106 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.228 9.392 -0.347 1.00 0.00 H new ATOM 1665 N GLU A 103 7.524 10.438 0.655 1.00 0.00 N ATOM 1666 CA GLU A 103 8.955 10.562 0.921 1.00 0.00 C ATOM 1667 C GLU A 103 9.464 9.348 1.692 1.00 0.00 C ATOM 1668 O GLU A 103 8.689 8.655 2.352 1.00 0.00 O ATOM 1669 CB GLU A 103 9.241 11.840 1.709 1.00 0.00 C ATOM 1670 CG GLU A 103 8.676 13.094 1.061 1.00 0.00 C ATOM 1671 CD GLU A 103 9.525 13.586 -0.095 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.898 12.758 -0.952 1.00 0.00 O ATOM 1673 OE2 GLU A 103 9.818 14.799 -0.142 1.00 0.00 O ATOM 0 H GLU A 103 6.957 10.272 1.486 1.00 0.00 H new ATOM 0 HA GLU A 103 9.478 10.613 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.824 11.740 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.319 11.954 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.666 12.891 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.597 13.882 1.810 1.00 0.00 H new ATOM 1680 N TRP A 104 10.766 9.086 1.606 1.00 0.00 N ATOM 1681 CA TRP A 104 11.354 7.942 2.303 1.00 0.00 C ATOM 1682 C TRP A 104 11.134 8.070 3.808 1.00 0.00 C ATOM 1683 O TRP A 104 11.772 8.887 4.473 1.00 0.00 O ATOM 1684 CB TRP A 104 12.859 7.823 2.004 1.00 0.00 C ATOM 1685 CG TRP A 104 13.253 8.324 0.646 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.530 8.220 -0.508 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.463 9.007 0.301 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.218 8.796 -1.548 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.408 9.287 -1.077 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.589 9.408 1.025 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.435 9.950 -1.745 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.608 10.067 0.362 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.524 10.332 -1.011 1.00 0.00 C ATOM 0 H TRP A 104 11.429 9.643 1.067 1.00 0.00 H new ATOM 0 HA TRP A 104 10.860 7.040 1.942 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.414 8.378 2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.155 6.778 2.094 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.560 7.753 -0.591 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.896 8.850 -2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.662 9.207 2.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.374 10.155 -2.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.483 10.382 0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.336 10.849 -1.500 1.00 0.00 H new ATOM 1704 N MET A 105 10.225 7.255 4.338 1.00 0.00 N ATOM 1705 CA MET A 105 9.916 7.271 5.765 1.00 0.00 C ATOM 1706 C MET A 105 10.196 5.913 6.398 1.00 0.00 C ATOM 1707 O MET A 105 10.315 4.908 5.701 1.00 0.00 O ATOM 1708 CB MET A 105 8.452 7.657 5.992 1.00 0.00 C ATOM 1709 CG MET A 105 7.940 8.716 5.029 1.00 0.00 C ATOM 1710 SD MET A 105 6.757 9.840 5.796 1.00 0.00 S ATOM 1711 CE MET A 105 7.486 11.425 5.397 1.00 0.00 C ATOM 0 H MET A 105 9.689 6.574 3.800 1.00 0.00 H new ATOM 0 HA MET A 105 10.558 8.014 6.238 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.832 6.765 5.899 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.336 8.021 7.013 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.783 9.290 4.644 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.470 8.228 4.175 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.111 12.182 6.086 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.570 11.359 5.485 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.221 11.701 4.376 1.00 0.00 H new ATOM 1721 N SER A 106 10.287 5.885 7.723 1.00 0.00 N ATOM 1722 CA SER A 106 10.540 4.642 8.442 1.00 0.00 C ATOM 1723 C SER A 106 9.251 3.838 8.588 1.00 0.00 C ATOM 1724 O SER A 106 8.313 4.270 9.259 1.00 0.00 O ATOM 1725 CB SER A 106 11.134 4.934 9.821 1.00 0.00 C ATOM 1726 OG SER A 106 10.460 6.011 10.449 1.00 0.00 O ATOM 0 H SER A 106 10.190 6.707 8.320 1.00 0.00 H new ATOM 0 HA SER A 106 11.257 4.054 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.065 4.044 10.446 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.193 5.172 9.721 1.00 0.00 H new ATOM 0 HG SER A 106 9.492 5.897 10.344 1.00 0.00 H new ATOM 1732 N LEU A 107 9.208 2.671 7.952 1.00 0.00 N ATOM 1733 CA LEU A 107 8.027 1.814 8.010 1.00 0.00 C ATOM 1734 C LEU A 107 7.984 1.010 9.308 1.00 0.00 C ATOM 1735 O LEU A 107 6.932 0.504 9.699 1.00 0.00 O ATOM 1736 CB LEU A 107 7.991 0.869 6.808 1.00 0.00 C ATOM 1737 CG LEU A 107 6.602 0.644 6.207 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.722 -0.131 7.175 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.956 1.974 5.845 1.00 0.00 C ATOM 0 H LEU A 107 9.974 2.297 7.392 1.00 0.00 H new ATOM 0 HA LEU A 107 7.150 2.460 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.646 1.266 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.401 -0.095 7.110 1.00 0.00 H new ATOM 0 HG LEU A 107 6.712 0.056 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.738 -0.282 6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.177 -1.099 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.619 0.431 8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.969 1.795 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.859 2.587 6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.577 2.494 5.115 1.00 0.00 H new ATOM 1751 N VAL A 108 9.130 0.895 9.972 1.00 0.00 N ATOM 1752 CA VAL A 108 9.218 0.151 11.225 1.00 0.00 C ATOM 1753 C VAL A 108 8.248 0.692 12.276 1.00 0.00 C ATOM 1754 O VAL A 108 7.994 0.038 13.288 1.00 0.00 O ATOM 1755 CB VAL A 108 10.646 0.188 11.800 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.774 -0.765 12.977 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.666 -0.145 10.721 1.00 0.00 C ATOM 0 H VAL A 108 10.011 1.307 9.664 1.00 0.00 H new ATOM 0 HA VAL A 108 8.948 -0.879 10.990 1.00 0.00 H new ATOM 0 HB VAL A 108 10.847 1.198 12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.790 -0.724 13.369 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.072 -0.475 13.758 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.552 -1.780 12.649 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.669 -0.114 11.146 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.469 -1.143 10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.592 0.583 9.913 1.00 0.00 H new ATOM 1767 N GLY A 109 7.708 1.885 12.036 1.00 0.00 N ATOM 1768 CA GLY A 109 6.778 2.479 12.976 1.00 0.00 C ATOM 1769 C GLY A 109 5.626 3.177 12.281 1.00 0.00 C ATOM 1770 O GLY A 109 5.356 4.350 12.536 1.00 0.00 O ATOM 0 H GLY A 109 7.899 2.449 11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.386 1.704 13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.308 3.195 13.605 1.00 0.00 H new ATOM 1774 N LEU A 110 4.947 2.448 11.405 1.00 0.00 N ATOM 1775 CA LEU A 110 3.812 2.995 10.666 1.00 0.00 C ATOM 1776 C LEU A 110 2.697 3.401 11.628 1.00 0.00 C ATOM 1777 O LEU A 110 2.566 2.830 12.711 1.00 0.00 O ATOM 1778 CB LEU A 110 3.295 1.971 9.656 1.00 0.00 C ATOM 1779 CG LEU A 110 2.064 2.410 8.865 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.088 1.813 7.466 1.00 0.00 C ATOM 1781 CD2 LEU A 110 0.793 2.011 9.600 1.00 0.00 C ATOM 0 H LEU A 110 5.161 1.475 11.187 1.00 0.00 H new ATOM 0 HA LEU A 110 4.143 3.882 10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.096 1.739 8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.058 1.048 10.186 1.00 0.00 H new ATOM 0 HG LEU A 110 2.080 3.496 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.204 2.136 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.983 2.149 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.095 0.725 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.076 2.330 9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.769 0.928 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.774 2.488 10.580 1.00 0.00 H new ATOM 1793 N ASN A 111 1.917 4.409 11.246 1.00 0.00 N ATOM 1794 CA ASN A 111 0.842 4.903 12.104 1.00 0.00 C ATOM 1795 C ASN A 111 -0.543 4.500 11.616 1.00 0.00 C ATOM 1796 O ASN A 111 -1.000 4.944 10.563 1.00 0.00 O ATOM 1797 CB ASN A 111 0.928 6.426 12.229 1.00 0.00 C ATOM 1798 CG ASN A 111 1.192 6.877 13.653 1.00 0.00 C ATOM 1799 OD1 ASN A 111 1.017 6.111 14.601 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.613 8.126 13.810 1.00 0.00 N ATOM 0 H ASN A 111 2.007 4.897 10.355 1.00 0.00 H new ATOM 0 HA ASN A 111 0.981 4.439 13.080 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.722 6.796 11.581 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.004 6.870 11.877 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.805 8.486 14.745 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.744 8.726 12.996 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.220 3.681 12.419 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.572 3.244 12.101 1.00 0.00 C ATOM 1809 C ALA A 112 -3.556 4.399 12.296 1.00 0.00 C ATOM 1810 O ALA A 112 -4.679 4.368 11.792 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.972 2.056 12.965 1.00 0.00 C ATOM 0 H ALA A 112 -0.852 3.308 13.294 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.598 2.930 11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.986 1.746 12.711 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.284 1.229 12.788 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.933 2.341 14.016 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.124 5.418 13.039 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.954 6.589 13.303 1.00 0.00 C ATOM 1819 C ASP A 113 -3.956 7.540 12.108 1.00 0.00 C ATOM 1820 O ASP A 113 -5.007 8.029 11.692 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.457 7.321 14.550 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.501 8.257 15.126 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.306 7.803 15.966 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.515 9.444 14.736 1.00 0.00 O ATOM 0 H ASP A 113 -2.200 5.454 13.469 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.975 6.247 13.472 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.171 6.591 15.307 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.561 7.890 14.301 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.768 7.806 11.566 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.626 8.707 10.425 1.00 0.00 C ATOM 1831 C ASP A 114 -3.276 8.121 9.177 1.00 0.00 C ATOM 1832 O ASP A 114 -3.921 8.834 8.409 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.152 9.001 10.161 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.818 10.473 10.315 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -1.531 11.168 11.068 1.00 0.00 O ATOM 1836 OD2 ASP A 114 0.158 10.929 9.682 1.00 0.00 O ATOM 0 H ASP A 114 -1.890 7.409 11.900 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.136 9.639 10.668 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.539 8.419 10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.895 8.677 9.153 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.110 6.819 8.983 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.690 6.139 7.834 1.00 0.00 C ATOM 1843 C PHE A 115 -5.182 5.889 8.089 1.00 0.00 C ATOM 1844 O PHE A 115 -5.677 6.182 9.178 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.915 4.836 7.553 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.599 3.582 8.001 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.052 3.468 9.294 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.766 2.514 7.135 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.663 2.313 9.731 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.381 1.355 7.561 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.829 1.256 8.862 1.00 0.00 C ATOM 0 H PHE A 115 -2.578 6.213 9.607 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.608 6.762 6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.728 4.767 6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.943 4.896 8.043 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.927 4.295 9.977 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.412 2.589 6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.011 2.236 10.751 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.511 0.528 6.879 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.310 0.350 9.200 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.931 5.372 7.099 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.369 5.130 7.262 1.00 0.00 C ATOM 1863 C PRO A 116 -7.681 4.270 8.488 1.00 0.00 C ATOM 1864 O PRO A 116 -7.109 3.193 8.662 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.772 4.398 5.971 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.490 4.004 5.314 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.466 5.009 5.754 1.00 0.00 C ATOM 0 HA PRO A 116 -7.916 6.059 7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.384 3.523 6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.362 5.045 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.197 2.996 5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.593 4.003 4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.463 4.584 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.434 5.872 5.089 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.595 4.742 9.361 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.979 4.018 10.580 1.00 0.00 C ATOM 1877 C PRO A 117 -9.766 2.748 10.282 1.00 0.00 C ATOM 1878 O PRO A 117 -9.605 1.733 10.959 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.854 5.022 11.334 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.396 5.918 10.278 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.320 6.022 9.233 1.00 0.00 C ATOM 0 HA PRO A 117 -8.106 3.685 11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.655 4.520 11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.273 5.581 12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.314 5.511 9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.641 6.899 10.686 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.740 6.148 8.235 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.665 6.875 9.414 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.616 2.806 9.263 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.422 1.653 8.878 1.00 0.00 C ATOM 1891 C ALA A 118 -10.560 0.549 8.276 1.00 0.00 C ATOM 1892 O ALA A 118 -11.029 -0.566 8.047 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.512 2.072 7.903 1.00 0.00 C ATOM 0 H ALA A 118 -10.765 3.637 8.690 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.890 1.254 9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.105 1.201 7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.156 2.814 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.057 2.501 7.011 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.302 0.873 8.017 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.365 -0.072 7.435 1.00 0.00 C ATOM 1901 C ASN A 119 -7.343 -0.540 8.475 1.00 0.00 C ATOM 1902 O ASN A 119 -6.279 -1.052 8.125 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.663 0.611 6.265 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.331 0.311 4.935 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.191 -0.566 4.844 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.948 1.046 3.898 1.00 0.00 N ATOM 0 H ASN A 119 -8.905 1.794 8.204 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.902 -0.954 7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.654 1.689 6.429 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.623 0.285 6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.370 0.894 2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.232 1.762 4.017 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.675 -0.347 9.755 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.794 -0.721 10.866 1.00 0.00 C ATOM 1915 C GLU A 120 -6.549 -2.230 10.980 1.00 0.00 C ATOM 1916 O GLU A 120 -5.483 -2.641 11.429 1.00 0.00 O ATOM 1917 CB GLU A 120 -7.361 -0.194 12.186 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.388 0.686 12.955 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.844 0.954 14.377 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -8.069 1.041 14.600 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.975 1.077 15.266 1.00 0.00 O ATOM 0 H GLU A 120 -8.558 0.071 10.050 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.828 -0.263 10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.269 0.374 11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.648 -1.039 12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.409 0.207 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.269 1.634 12.431 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.517 -3.091 10.611 1.00 0.00 N ATOM 1929 CA PRO A 121 -7.344 -4.544 10.728 1.00 0.00 C ATOM 1930 C PRO A 121 -5.975 -5.029 10.246 1.00 0.00 C ATOM 1931 O PRO A 121 -5.382 -5.925 10.847 1.00 0.00 O ATOM 1932 CB PRO A 121 -8.458 -5.086 9.839 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.544 -4.075 9.964 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.855 -2.741 10.090 1.00 0.00 C ATOM 0 HA PRO A 121 -7.393 -4.880 11.764 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -8.128 -5.191 8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.789 -6.070 10.170 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -10.199 -4.096 9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -10.167 -4.277 10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.791 -2.230 9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.389 -2.076 10.769 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.473 -4.437 9.166 1.00 0.00 N ATOM 1943 CA VAL A 122 -4.171 -4.819 8.624 1.00 0.00 C ATOM 1944 C VAL A 122 -3.020 -4.226 9.438 1.00 0.00 C ATOM 1945 O VAL A 122 -2.088 -4.934 9.822 1.00 0.00 O ATOM 1946 CB VAL A 122 -4.018 -4.373 7.152 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.596 -4.605 6.658 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -5.015 -5.100 6.265 1.00 0.00 C ATOM 0 H VAL A 122 -5.945 -3.694 8.650 1.00 0.00 H new ATOM 0 HA VAL A 122 -4.125 -5.907 8.681 1.00 0.00 H new ATOM 0 HB VAL A 122 -4.226 -3.304 7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.514 -4.283 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.900 -4.033 7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.355 -5.666 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.891 -4.772 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.842 -6.174 6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.029 -4.876 6.597 1.00 0.00 H new ATOM 1958 N ILE A 123 -3.077 -2.919 9.664 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.027 -2.214 10.394 1.00 0.00 C ATOM 1960 C ILE A 123 -2.044 -2.507 11.893 1.00 0.00 C ATOM 1961 O ILE A 123 -0.997 -2.708 12.500 1.00 0.00 O ATOM 1962 CB ILE A 123 -2.141 -0.691 10.185 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.095 -0.353 8.696 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -1.029 0.035 10.923 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.757 -0.642 8.056 1.00 0.00 C ATOM 0 H ILE A 123 -3.843 -2.322 9.351 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.084 -2.581 9.989 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.098 -0.360 10.589 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.867 -0.921 8.178 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.333 0.702 8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.127 1.109 10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.098 -0.181 11.989 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.063 -0.301 10.547 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.795 -0.379 6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.017 -0.054 8.549 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.526 -1.702 8.158 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.225 -2.507 12.490 1.00 0.00 N ATOM 1978 CA ALA A 124 -3.356 -2.745 13.924 1.00 0.00 C ATOM 1979 C ALA A 124 -2.686 -4.047 14.356 1.00 0.00 C ATOM 1980 O ALA A 124 -2.270 -4.184 15.506 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.825 -2.754 14.321 1.00 0.00 C ATOM 0 H ALA A 124 -4.108 -2.345 12.006 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.845 -1.931 14.437 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.911 -2.932 15.393 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.274 -1.791 14.076 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.344 -3.545 13.779 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.589 -5.002 13.439 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.973 -6.289 13.753 1.00 0.00 C ATOM 1989 C LYS A 125 -0.446 -6.214 13.708 1.00 0.00 C ATOM 1990 O LYS A 125 0.228 -6.598 14.664 1.00 0.00 O ATOM 1991 CB LYS A 125 -2.471 -7.362 12.783 1.00 0.00 C ATOM 1992 CG LYS A 125 -2.769 -8.694 13.453 1.00 0.00 C ATOM 1993 CD LYS A 125 -3.098 -9.769 12.431 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.861 -10.201 11.657 1.00 0.00 C ATOM 1995 NZ LYS A 125 -0.738 -10.564 12.565 1.00 0.00 N ATOM 0 H LYS A 125 -2.925 -4.913 12.480 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.264 -6.554 14.770 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.374 -7.003 12.289 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.722 -7.515 12.006 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.909 -9.005 14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.605 -8.577 14.142 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.532 -10.632 12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.850 -9.394 11.737 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.107 -11.054 11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.547 -9.394 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.022 -11.101 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.308 -9.698 12.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.099 -11.147 13.347 1.00 0.00 H new ATOM 2009 N LEU A 126 0.095 -5.733 12.593 1.00 0.00 N ATOM 2010 CA LEU A 126 1.542 -5.627 12.430 1.00 0.00 C ATOM 2011 C LEU A 126 2.104 -4.413 13.163 1.00 0.00 C ATOM 2012 O LEU A 126 3.259 -4.418 13.591 1.00 0.00 O ATOM 2013 CB LEU A 126 1.908 -5.565 10.946 1.00 0.00 C ATOM 2014 CG LEU A 126 2.113 -6.926 10.275 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.110 -7.765 11.059 1.00 0.00 C ATOM 2016 CD2 LEU A 126 0.787 -7.657 10.142 1.00 0.00 C ATOM 0 H LEU A 126 -0.445 -5.411 11.790 1.00 0.00 H new ATOM 0 HA LEU A 126 1.989 -6.518 12.871 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.121 -5.029 10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.822 -4.981 10.836 1.00 0.00 H new ATOM 0 HG LEU A 126 2.517 -6.760 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.242 -8.728 10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.067 -7.246 11.103 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.736 -7.923 12.071 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.950 -8.622 9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.356 -7.811 11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.103 -7.063 9.536 1.00 0.00 H new ATOM 2028 N LYS A 127 1.287 -3.375 13.310 1.00 0.00 N ATOM 2029 CA LYS A 127 1.713 -2.159 13.999 1.00 0.00 C ATOM 2030 C LYS A 127 2.208 -2.480 15.396 1.00 0.00 C ATOM 2031 O LYS A 127 3.228 -1.957 15.844 1.00 0.00 O ATOM 2032 CB LYS A 127 0.566 -1.170 14.084 1.00 0.00 C ATOM 2033 CG LYS A 127 0.956 0.159 14.709 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.039 1.257 14.364 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.821 1.707 15.588 1.00 0.00 C ATOM 2036 NZ LYS A 127 0.068 1.948 16.758 1.00 0.00 N ATOM 0 H LYS A 127 0.328 -3.350 12.963 1.00 0.00 H new ATOM 0 HA LYS A 127 2.528 -1.716 13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.176 -0.991 13.082 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.242 -1.613 14.666 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.015 0.048 15.792 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.949 0.446 14.363 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.491 2.108 13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.730 0.897 13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.368 2.620 15.354 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.561 0.949 15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.301 2.744 17.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.100 1.095 17.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 1.027 2.174 16.425 1.00 0.00 H new ATOM 2050 N ARG A 128 1.485 -3.362 16.073 1.00 0.00 N ATOM 2051 CA ARG A 128 1.856 -3.782 17.413 1.00 0.00 C ATOM 2052 C ARG A 128 3.097 -4.669 17.357 1.00 0.00 C ATOM 2053 O ARG A 128 3.646 -5.053 18.388 1.00 0.00 O ATOM 2054 CB ARG A 128 0.699 -4.535 18.073 1.00 0.00 C ATOM 2055 CG ARG A 128 1.015 -5.030 19.475 1.00 0.00 C ATOM 2056 CD ARG A 128 -0.240 -5.489 20.200 1.00 0.00 C ATOM 2057 NE ARG A 128 0.072 -6.307 21.369 1.00 0.00 N ATOM 2058 CZ ARG A 128 -0.849 -6.795 22.200 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -2.137 -6.549 21.991 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -0.480 -7.529 23.240 1.00 0.00 N ATOM 0 H ARG A 128 0.637 -3.800 15.713 1.00 0.00 H new ATOM 0 HA ARG A 128 2.080 -2.897 18.009 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.172 -3.881 18.116 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.428 -5.386 17.449 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.726 -5.854 19.419 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.494 -4.233 20.044 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.818 -4.619 20.510 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.866 -6.060 19.515 1.00 0.00 H new ATOM 0 HE ARG A 128 1.052 -6.517 21.561 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.425 -5.985 21.192 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.838 -6.925 22.630 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.508 -7.720 23.404 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -1.184 -7.903 23.876 1.00 0.00 H new ATOM 2074 N LEU A 129 3.531 -4.992 16.135 1.00 0.00 N ATOM 2075 CA LEU A 129 4.709 -5.837 15.927 1.00 0.00 C ATOM 2076 C LEU A 129 4.688 -7.049 16.857 1.00 0.00 C ATOM 2077 O LEU A 129 3.880 -7.962 16.684 1.00 0.00 O ATOM 2078 CB LEU A 129 6.009 -5.041 16.135 1.00 0.00 C ATOM 2079 CG LEU A 129 5.846 -3.607 16.655 1.00 0.00 C ATOM 2080 CD1 LEU A 129 5.941 -3.574 18.173 1.00 0.00 C ATOM 2081 CD2 LEU A 129 6.893 -2.693 16.034 1.00 0.00 C ATOM 0 H LEU A 129 3.083 -4.680 15.274 1.00 0.00 H new ATOM 0 HA LEU A 129 4.678 -6.188 14.895 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.639 -5.590 16.834 1.00 0.00 H new ATOM 0 HB3 LEU A 129 6.544 -5.003 15.186 1.00 0.00 H new ATOM 0 HG LEU A 129 4.859 -3.247 16.366 1.00 0.00 H new ATOM 0 HD11 LEU A 129 5.823 -2.548 18.523 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.154 -4.196 18.600 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.914 -3.954 18.485 1.00 0.00 H new ATOM 0 HD21 LEU A 129 6.763 -1.680 16.414 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.889 -3.052 16.293 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.778 -2.692 14.950 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -5.006 1.785 -9.506 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -7.470 3.228 -3.422 1.00 20.00 O HETATM 2096 P 8OG A 131 -8.657 2.754 -2.442 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -9.812 2.354 -3.277 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -8.840 3.793 -1.404 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -8.026 1.441 -1.758 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -8.621 0.851 -0.599 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -10.088 0.481 -0.831 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -10.782 -0.319 0.133 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -11.012 1.692 -0.978 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -11.559 1.782 -2.295 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -12.117 1.545 0.075 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -11.875 0.253 0.863 1.00 20.00 C HETATM 2107 N9 8OG A 131 -11.999 0.346 2.335 1.00 20.00 N HETATM 2108 C8 8OG A 131 -11.307 1.271 3.073 1.00 20.00 C HETATM 2109 N7 8OG A 131 -11.708 1.048 4.364 1.00 20.00 N HETATM 2110 C5 8OG A 131 -12.615 0.024 4.437 1.00 20.00 C HETATM 2111 C6 8OG A 131 -13.303 -0.579 5.431 1.00 20.00 C HETATM 2112 O6 8OG A 131 -13.144 -0.158 6.629 1.00 20.00 O HETATM 2113 N1 8OG A 131 -14.184 -1.633 5.212 1.00 20.00 N HETATM 2114 C2 8OG A 131 -14.351 -2.060 3.922 1.00 20.00 C HETATM 2115 N2 8OG A 131 -15.195 -3.080 3.714 1.00 20.00 N HETATM 2116 N3 8OG A 131 -13.690 -1.501 2.823 1.00 20.00 N HETATM 2117 C4 8OG A 131 -12.811 -0.435 3.150 1.00 20.00 C HETATM 2118 O8 8OG A 131 -10.480 2.154 2.657 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -10.857 2.052 -2.923 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -8.062 -0.042 -0.320 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -12.116 2.403 0.747 1.00 20.00 H new HETATM 0 H7 8OG A 131 -11.373 1.578 5.169 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -8.551 1.546 0.238 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -9.927 -0.107 -1.734 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -10.453 2.615 -0.822 1.00 20.00 H new HETATM 0 H22 8OG A 131 -15.349 -3.430 2.768 1.00 20.00 H new HETATM 0 H21 8OG A 131 -15.683 -3.507 4.501 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -13.095 1.517 -0.405 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -12.656 -0.507 0.906 1.00 20.00 H new HETATM 0 H1 8OG A 131 -14.687 -2.071 5.984 1.00 20.00 H new HETATM 2131 O HOH A5047 -6.573 2.057 -10.893 1.00 0.00 O HETATM 2132 O HOH A5048 -5.668 3.481 -8.440 1.00 0.00 O