USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc= -0.0976 X(o=-0.098,f=-0.33) USER MOD Set 1.2: A 14 GLN : amide:sc= 0 X(o=-0.098,f=-0.043) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0677 (180deg=-0.112) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.31) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.317 (180deg=-1.18) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 1.03 (180deg=1.02) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0847) USER MOD Single : A 29 ASN : amide:sc= -2.53! C(o=-2.5!,f=-9.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 113:sc= 0.152 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 43 ASN : amide:sc= -0.99 K(o=-0.99,f=-0.0014) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0418 (180deg=-0.341) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 1.25 (180deg=1.04) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.074 -21.253 9.671 1.00 0.00 N ATOM 2 CA MET A 1 2.955 -21.219 11.145 1.00 0.00 C ATOM 3 C MET A 1 1.791 -20.330 11.554 1.00 0.00 C ATOM 4 O MET A 1 1.351 -19.483 10.777 1.00 0.00 O ATOM 5 CB MET A 1 4.254 -20.705 11.779 1.00 0.00 C ATOM 6 CG MET A 1 5.445 -21.626 11.577 1.00 0.00 C ATOM 7 SD MET A 1 6.963 -20.971 12.296 1.00 0.00 S ATOM 8 CE MET A 1 8.110 -22.288 11.898 1.00 0.00 C ATOM 0 H1 MET A 1 3.000 -22.236 9.339 1.00 0.00 H new ATOM 0 H2 MET A 1 2.311 -20.686 9.248 1.00 0.00 H new ATOM 0 H3 MET A 1 3.995 -20.861 9.388 1.00 0.00 H new ATOM 0 HA MET A 1 2.772 -22.233 11.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.489 -19.727 11.360 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.094 -20.564 12.848 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.227 -22.597 12.021 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.595 -21.790 10.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.100 -22.035 12.277 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.772 -23.216 12.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.157 -22.415 10.816 1.00 0.00 H new ATOM 20 N PRO A 2 1.250 -20.531 12.764 1.00 0.00 N ATOM 21 CA PRO A 2 0.205 -19.665 13.302 1.00 0.00 C ATOM 22 C PRO A 2 0.719 -18.242 13.482 1.00 0.00 C ATOM 23 O PRO A 2 1.911 -18.034 13.717 1.00 0.00 O ATOM 24 CB PRO A 2 -0.139 -20.295 14.658 1.00 0.00 C ATOM 25 CG PRO A 2 1.043 -21.134 15.005 1.00 0.00 C ATOM 26 CD PRO A 2 1.608 -21.611 13.700 1.00 0.00 C ATOM 0 HA PRO A 2 -0.659 -19.592 12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.316 -19.531 15.415 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.045 -20.897 14.595 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.781 -20.557 15.562 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.753 -21.975 15.635 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.687 -21.754 13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.176 -22.565 13.399 1.00 0.00 H new ATOM 34 N LEU A 3 -0.176 -17.269 13.377 1.00 0.00 N ATOM 35 CA LEU A 3 0.203 -15.857 13.450 1.00 0.00 C ATOM 36 C LEU A 3 0.486 -15.412 14.888 1.00 0.00 C ATOM 37 O LEU A 3 0.008 -14.373 15.343 1.00 0.00 O ATOM 38 CB LEU A 3 -0.886 -14.988 12.802 1.00 0.00 C ATOM 39 CG LEU A 3 -2.331 -15.481 12.965 1.00 0.00 C ATOM 40 CD1 LEU A 3 -2.801 -15.361 14.404 1.00 0.00 C ATOM 41 CD2 LEU A 3 -3.253 -14.710 12.040 1.00 0.00 C ATOM 0 H LEU A 3 -1.174 -17.429 13.240 1.00 0.00 H new ATOM 0 HA LEU A 3 1.132 -15.728 12.895 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.817 -13.984 13.220 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.670 -14.905 11.737 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.358 -16.537 12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.828 -15.719 14.482 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.158 -15.960 15.048 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.756 -14.318 14.716 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.275 -15.068 12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.208 -13.648 12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.939 -14.859 11.007 1.00 0.00 H new ATOM 53 N THR A 4 1.287 -16.198 15.588 1.00 0.00 N ATOM 54 CA THR A 4 1.671 -15.886 16.949 1.00 0.00 C ATOM 55 C THR A 4 2.970 -15.078 16.952 1.00 0.00 C ATOM 56 O THR A 4 3.304 -14.410 17.934 1.00 0.00 O ATOM 57 CB THR A 4 1.850 -17.183 17.764 1.00 0.00 C ATOM 58 OG1 THR A 4 0.738 -18.062 17.523 1.00 0.00 O ATOM 59 CG2 THR A 4 1.948 -16.889 19.255 1.00 0.00 C ATOM 0 H THR A 4 1.686 -17.065 15.229 1.00 0.00 H new ATOM 0 HA THR A 4 0.883 -15.291 17.410 1.00 0.00 H new ATOM 0 HB THR A 4 2.778 -17.658 17.446 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.854 -18.886 18.040 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.074 -17.823 19.803 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.804 -16.241 19.443 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.037 -16.393 19.589 1.00 0.00 H new ATOM 67 N ASP A 5 3.681 -15.121 15.830 1.00 0.00 N ATOM 68 CA ASP A 5 4.941 -14.404 15.692 1.00 0.00 C ATOM 69 C ASP A 5 4.700 -12.901 15.550 1.00 0.00 C ATOM 70 O ASP A 5 3.612 -12.466 15.164 1.00 0.00 O ATOM 71 CB ASP A 5 5.752 -14.945 14.503 1.00 0.00 C ATOM 72 CG ASP A 5 4.997 -14.913 13.188 1.00 0.00 C ATOM 73 OD1 ASP A 5 4.122 -15.780 12.972 1.00 0.00 O ATOM 74 OD2 ASP A 5 5.294 -14.037 12.355 1.00 0.00 O ATOM 0 H ASP A 5 3.404 -15.647 15.001 1.00 0.00 H new ATOM 0 HA ASP A 5 5.523 -14.567 16.599 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.666 -14.360 14.402 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.052 -15.971 14.715 1.00 0.00 H new ATOM 79 N PRO A 6 5.719 -12.086 15.868 1.00 0.00 N ATOM 80 CA PRO A 6 5.602 -10.620 15.922 1.00 0.00 C ATOM 81 C PRO A 6 5.576 -9.951 14.552 1.00 0.00 C ATOM 82 O PRO A 6 5.802 -8.742 14.437 1.00 0.00 O ATOM 83 CB PRO A 6 6.862 -10.210 16.669 1.00 0.00 C ATOM 84 CG PRO A 6 7.857 -11.257 16.315 1.00 0.00 C ATOM 85 CD PRO A 6 7.080 -12.538 16.218 1.00 0.00 C ATOM 0 HA PRO A 6 4.665 -10.317 16.389 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.201 -9.220 16.364 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.692 -10.171 17.745 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.350 -11.026 15.371 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.637 -11.328 17.073 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.491 -13.201 15.457 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.091 -13.087 17.159 1.00 0.00 H new ATOM 93 N ALA A 7 5.305 -10.729 13.526 1.00 0.00 N ATOM 94 CA ALA A 7 5.263 -10.212 12.167 1.00 0.00 C ATOM 95 C ALA A 7 4.027 -9.352 11.923 1.00 0.00 C ATOM 96 O ALA A 7 2.969 -9.851 11.539 1.00 0.00 O ATOM 97 CB ALA A 7 5.318 -11.336 11.152 1.00 0.00 C ATOM 0 H ALA A 7 5.109 -11.727 13.604 1.00 0.00 H new ATOM 0 HA ALA A 7 6.144 -9.582 12.043 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.285 -10.919 10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.243 -11.898 11.282 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.466 -12.000 11.298 1.00 0.00 H new ATOM 103 N LYS A 8 4.157 -8.063 12.185 1.00 0.00 N ATOM 104 CA LYS A 8 3.138 -7.105 11.792 1.00 0.00 C ATOM 105 C LYS A 8 3.248 -6.858 10.298 1.00 0.00 C ATOM 106 O LYS A 8 2.263 -6.957 9.566 1.00 0.00 O ATOM 107 CB LYS A 8 3.295 -5.793 12.562 1.00 0.00 C ATOM 108 CG LYS A 8 2.520 -5.748 13.874 1.00 0.00 C ATOM 109 CD LYS A 8 3.015 -6.784 14.872 1.00 0.00 C ATOM 110 CE LYS A 8 2.178 -6.777 16.141 1.00 0.00 C ATOM 111 NZ LYS A 8 2.672 -7.757 17.143 1.00 0.00 N ATOM 0 H LYS A 8 4.958 -7.656 12.668 1.00 0.00 H new ATOM 0 HA LYS A 8 2.154 -7.510 12.028 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.352 -5.630 12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.965 -4.970 11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.608 -4.754 14.312 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.462 -5.916 13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.981 -7.774 14.418 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.057 -6.583 15.121 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.189 -5.778 16.576 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.142 -7.005 15.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.072 -7.718 17.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.638 -8.714 16.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.652 -7.525 17.401 1.00 0.00 H new ATOM 125 N LEU A 9 4.474 -6.569 9.864 1.00 0.00 N ATOM 126 CA LEU A 9 4.807 -6.414 8.465 1.00 0.00 C ATOM 127 C LEU A 9 3.908 -5.398 7.772 1.00 0.00 C ATOM 128 O LEU A 9 3.407 -4.453 8.390 1.00 0.00 O ATOM 129 CB LEU A 9 4.702 -7.766 7.768 1.00 0.00 C ATOM 130 CG LEU A 9 5.565 -8.884 8.352 1.00 0.00 C ATOM 131 CD1 LEU A 9 5.312 -10.191 7.617 1.00 0.00 C ATOM 132 CD2 LEU A 9 7.032 -8.509 8.278 1.00 0.00 C ATOM 0 H LEU A 9 5.269 -6.436 10.490 1.00 0.00 H new ATOM 0 HA LEU A 9 5.828 -6.038 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.660 -8.086 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.971 -7.635 6.720 1.00 0.00 H new ATOM 0 HG LEU A 9 5.294 -9.021 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.935 -10.976 8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.262 -10.466 7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.558 -10.069 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.635 -9.314 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.314 -8.348 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.203 -7.594 8.846 1.00 0.00 H new ATOM 144 N GLN A 10 3.736 -5.593 6.475 1.00 0.00 N ATOM 145 CA GLN A 10 2.860 -4.758 5.683 1.00 0.00 C ATOM 146 C GLN A 10 1.422 -5.241 5.797 1.00 0.00 C ATOM 147 O GLN A 10 1.124 -6.198 6.512 1.00 0.00 O ATOM 148 CB GLN A 10 3.292 -4.757 4.214 1.00 0.00 C ATOM 149 CG GLN A 10 4.480 -3.852 3.906 1.00 0.00 C ATOM 150 CD GLN A 10 5.757 -4.258 4.615 1.00 0.00 C ATOM 151 OE1 GLN A 10 6.056 -3.772 5.704 1.00 0.00 O ATOM 152 NE2 GLN A 10 6.507 -5.167 4.015 1.00 0.00 N ATOM 0 H GLN A 10 4.199 -6.332 5.947 1.00 0.00 H new ATOM 0 HA GLN A 10 2.925 -3.740 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.542 -5.777 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.446 -4.447 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.656 -3.853 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.229 -2.829 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.224 -5.546 3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.368 -5.489 4.456 1.00 0.00 H new ATOM 161 N ILE A 11 0.537 -4.592 5.063 1.00 0.00 N ATOM 162 CA ILE A 11 -0.884 -4.891 5.134 1.00 0.00 C ATOM 163 C ILE A 11 -1.228 -6.198 4.418 1.00 0.00 C ATOM 164 O ILE A 11 -2.378 -6.637 4.422 1.00 0.00 O ATOM 165 CB ILE A 11 -1.718 -3.718 4.559 1.00 0.00 C ATOM 166 CG1 ILE A 11 -1.356 -3.430 3.100 1.00 0.00 C ATOM 167 CG2 ILE A 11 -1.518 -2.474 5.407 1.00 0.00 C ATOM 168 CD1 ILE A 11 -2.067 -4.333 2.117 1.00 0.00 C ATOM 0 H ILE A 11 0.778 -3.850 4.406 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.138 -5.019 6.186 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.768 -4.008 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.599 -2.392 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.279 -3.541 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.108 -1.655 4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.839 -2.675 6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.463 -2.198 5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.765 -4.075 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.805 -5.371 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.145 -4.205 2.219 1.00 0.00 H new ATOM 180 N VAL A 12 -0.215 -6.825 3.836 1.00 0.00 N ATOM 181 CA VAL A 12 -0.402 -8.017 3.018 1.00 0.00 C ATOM 182 C VAL A 12 -0.900 -9.211 3.835 1.00 0.00 C ATOM 183 O VAL A 12 -1.460 -10.158 3.282 1.00 0.00 O ATOM 184 CB VAL A 12 0.907 -8.401 2.296 1.00 0.00 C ATOM 185 CG1 VAL A 12 1.329 -7.296 1.339 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.018 -8.690 3.299 1.00 0.00 C ATOM 0 H VAL A 12 0.756 -6.524 3.917 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.166 -7.769 2.281 1.00 0.00 H new ATOM 0 HB VAL A 12 0.724 -9.309 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.254 -7.582 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.547 -7.140 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.489 -6.373 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.930 -8.958 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.200 -7.803 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.719 -9.516 3.945 1.00 0.00 H new ATOM 196 N GLN A 13 -0.700 -9.167 5.146 1.00 0.00 N ATOM 197 CA GLN A 13 -1.119 -10.262 6.008 1.00 0.00 C ATOM 198 C GLN A 13 -2.409 -9.892 6.737 1.00 0.00 C ATOM 199 O GLN A 13 -2.386 -9.522 7.908 1.00 0.00 O ATOM 200 CB GLN A 13 -0.005 -10.618 7.004 1.00 0.00 C ATOM 201 CG GLN A 13 -0.055 -12.053 7.521 1.00 0.00 C ATOM 202 CD GLN A 13 -1.085 -12.279 8.614 1.00 0.00 C ATOM 203 OE1 GLN A 13 -2.241 -12.602 8.345 1.00 0.00 O ATOM 204 NE2 GLN A 13 -0.662 -12.134 9.859 1.00 0.00 N ATOM 0 H GLN A 13 -0.253 -8.390 5.632 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.313 -11.141 5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.960 -10.451 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.062 -9.937 7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.272 -12.721 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.929 -12.326 7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.305 -11.865 10.041 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.303 -12.291 10.637 1.00 0.00 H new ATOM 213 N GLN A 14 -3.518 -9.944 6.004 1.00 0.00 N ATOM 214 CA GLN A 14 -4.855 -9.732 6.565 1.00 0.00 C ATOM 215 C GLN A 14 -5.021 -8.362 7.224 1.00 0.00 C ATOM 216 O GLN A 14 -5.668 -8.246 8.267 1.00 0.00 O ATOM 217 CB GLN A 14 -5.200 -10.823 7.576 1.00 0.00 C ATOM 218 CG GLN A 14 -5.378 -12.197 6.961 1.00 0.00 C ATOM 219 CD GLN A 14 -5.957 -13.184 7.948 1.00 0.00 C ATOM 220 OE1 GLN A 14 -5.228 -13.864 8.670 1.00 0.00 O ATOM 221 NE2 GLN A 14 -7.276 -13.253 7.999 1.00 0.00 N ATOM 0 H GLN A 14 -3.518 -10.135 5.002 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.542 -9.776 5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.411 -10.871 8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.118 -10.546 8.095 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.033 -12.124 6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.415 -12.563 6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.841 -12.670 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.728 -13.889 8.656 1.00 0.00 H new ATOM 230 N ARG A 15 -4.459 -7.325 6.626 1.00 0.00 N ATOM 231 CA ARG A 15 -4.745 -5.975 7.085 1.00 0.00 C ATOM 232 C ARG A 15 -5.933 -5.416 6.319 1.00 0.00 C ATOM 233 O ARG A 15 -6.138 -5.744 5.152 1.00 0.00 O ATOM 234 CB ARG A 15 -3.541 -5.046 6.952 1.00 0.00 C ATOM 235 CG ARG A 15 -2.629 -5.018 8.175 1.00 0.00 C ATOM 236 CD ARG A 15 -1.910 -6.338 8.391 1.00 0.00 C ATOM 237 NE ARG A 15 -2.286 -6.973 9.654 1.00 0.00 N ATOM 238 CZ ARG A 15 -1.512 -7.835 10.316 1.00 0.00 C ATOM 239 NH1 ARG A 15 -0.287 -8.104 9.878 1.00 0.00 N ATOM 240 NH2 ARG A 15 -1.955 -8.407 11.432 1.00 0.00 N ATOM 0 H ARG A 15 -3.815 -7.387 5.838 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.984 -6.031 8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.956 -5.351 6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.897 -4.035 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.894 -4.222 8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.219 -4.780 9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.137 -7.013 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.833 -6.169 8.378 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.196 -6.743 10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.064 -7.651 9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.303 -8.763 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.887 -8.187 11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.363 -9.066 11.937 1.00 0.00 H new ATOM 254 N VAL A 16 -6.730 -4.599 6.987 1.00 0.00 N ATOM 255 CA VAL A 16 -7.920 -4.025 6.373 1.00 0.00 C ATOM 256 C VAL A 16 -7.566 -2.785 5.542 1.00 0.00 C ATOM 257 O VAL A 16 -8.414 -2.219 4.857 1.00 0.00 O ATOM 258 CB VAL A 16 -8.984 -3.674 7.446 1.00 0.00 C ATOM 259 CG1 VAL A 16 -8.524 -2.514 8.318 1.00 0.00 C ATOM 260 CG2 VAL A 16 -10.338 -3.382 6.811 1.00 0.00 C ATOM 0 H VAL A 16 -6.576 -4.317 7.955 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.343 -4.775 5.704 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.103 -4.546 8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.290 -2.291 9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.597 -2.784 8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.355 -1.635 7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.061 -3.140 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.245 -2.538 6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.678 -4.259 6.260 1.00 0.00 H new ATOM 270 N PHE A 17 -6.305 -2.377 5.594 1.00 0.00 N ATOM 271 CA PHE A 17 -5.843 -1.231 4.821 1.00 0.00 C ATOM 272 C PHE A 17 -4.996 -1.688 3.637 1.00 0.00 C ATOM 273 O PHE A 17 -4.678 -2.871 3.511 1.00 0.00 O ATOM 274 CB PHE A 17 -5.026 -0.278 5.700 1.00 0.00 C ATOM 275 CG PHE A 17 -5.790 0.295 6.859 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.680 1.340 6.671 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.614 -0.209 8.138 1.00 0.00 C ATOM 278 CE1 PHE A 17 -7.380 1.871 7.737 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.311 0.319 9.208 1.00 0.00 C ATOM 280 CZ PHE A 17 -7.195 1.360 9.007 1.00 0.00 C ATOM 0 H PHE A 17 -5.584 -2.822 6.162 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.721 -0.703 4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.154 -0.810 6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.655 0.540 5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.828 1.744 5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.924 -1.024 8.300 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.071 2.685 7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.164 -0.082 10.200 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.741 1.774 9.841 1.00 0.00 H new ATOM 290 N LEU A 18 -4.639 -0.745 2.779 1.00 0.00 N ATOM 291 CA LEU A 18 -3.828 -1.026 1.600 1.00 0.00 C ATOM 292 C LEU A 18 -2.582 -0.151 1.583 1.00 0.00 C ATOM 293 O LEU A 18 -2.325 0.583 2.532 1.00 0.00 O ATOM 294 CB LEU A 18 -4.637 -0.815 0.324 1.00 0.00 C ATOM 295 CG LEU A 18 -5.678 -1.897 0.023 1.00 0.00 C ATOM 296 CD1 LEU A 18 -6.436 -1.576 -1.255 1.00 0.00 C ATOM 297 CD2 LEU A 18 -5.013 -3.262 -0.082 1.00 0.00 C ATOM 0 H LEU A 18 -4.902 0.236 2.878 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.519 -2.070 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.146 0.147 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.947 -0.753 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.392 -1.921 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.170 -2.358 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.946 -0.619 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.736 -1.520 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.768 -4.019 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.276 -3.247 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.518 -3.499 0.860 1.00 0.00 H new ATOM 309 N LYS A 19 -1.785 -0.269 0.528 1.00 0.00 N ATOM 310 CA LYS A 19 -0.563 0.520 0.395 1.00 0.00 C ATOM 311 C LYS A 19 -0.868 1.897 -0.188 1.00 0.00 C ATOM 312 O LYS A 19 -1.944 2.123 -0.732 1.00 0.00 O ATOM 313 CB LYS A 19 0.436 -0.194 -0.514 1.00 0.00 C ATOM 314 CG LYS A 19 0.726 -1.629 -0.116 1.00 0.00 C ATOM 315 CD LYS A 19 1.513 -1.717 1.181 1.00 0.00 C ATOM 316 CE LYS A 19 2.156 -3.091 1.329 1.00 0.00 C ATOM 317 NZ LYS A 19 2.972 -3.462 0.137 1.00 0.00 N ATOM 0 H LYS A 19 -1.962 -0.904 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.133 0.638 1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.054 -0.182 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.371 0.366 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.213 -2.171 -0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.286 -2.119 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.283 -0.946 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.852 -1.526 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.788 -3.101 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.379 -3.840 1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.691 -4.161 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.354 -3.870 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.441 -2.614 -0.240 1.00 0.00 H new ATOM 331 N LYS A 20 0.089 2.809 -0.080 1.00 0.00 N ATOM 332 CA LYS A 20 -0.070 4.156 -0.620 1.00 0.00 C ATOM 333 C LYS A 20 0.644 4.290 -1.948 1.00 0.00 C ATOM 334 O LYS A 20 1.827 3.984 -2.059 1.00 0.00 O ATOM 335 CB LYS A 20 0.493 5.190 0.346 1.00 0.00 C ATOM 336 CG LYS A 20 0.061 4.973 1.781 1.00 0.00 C ATOM 337 CD LYS A 20 0.829 5.872 2.726 1.00 0.00 C ATOM 338 CE LYS A 20 2.323 5.593 2.666 1.00 0.00 C ATOM 339 NZ LYS A 20 3.076 6.498 3.573 1.00 0.00 N ATOM 0 H LYS A 20 0.985 2.642 0.377 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.137 4.330 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.582 5.168 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.179 6.184 0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.007 5.169 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.219 3.931 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.642 6.915 2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.470 5.723 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.513 4.556 2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.679 5.720 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.084 6.240 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.967 7.481 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.705 6.407 4.540 1.00 0.00 H new ATOM 353 N VAL A 21 -0.065 4.780 -2.943 1.00 0.00 N ATOM 354 CA VAL A 21 0.495 4.932 -4.264 1.00 0.00 C ATOM 355 C VAL A 21 0.808 6.400 -4.547 1.00 0.00 C ATOM 356 O VAL A 21 -0.025 7.278 -4.338 1.00 0.00 O ATOM 357 CB VAL A 21 -0.454 4.351 -5.341 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.856 4.925 -5.218 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.096 4.589 -6.736 1.00 0.00 C ATOM 0 H VAL A 21 -1.036 5.081 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 21 1.427 4.369 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.516 3.276 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.494 4.495 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.262 4.685 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.818 6.007 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.589 4.171 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.204 5.660 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.069 4.107 -6.831 1.00 0.00 H new ATOM 369 N CYS A 22 2.035 6.658 -4.966 1.00 0.00 N ATOM 370 CA CYS A 22 2.467 7.990 -5.368 1.00 0.00 C ATOM 371 C CYS A 22 1.603 8.519 -6.507 1.00 0.00 C ATOM 372 O CYS A 22 1.346 7.807 -7.475 1.00 0.00 O ATOM 373 CB CYS A 22 3.931 7.907 -5.800 1.00 0.00 C ATOM 374 SG CYS A 22 4.663 9.410 -6.536 1.00 0.00 S ATOM 0 H CYS A 22 2.764 5.948 -5.038 1.00 0.00 H new ATOM 0 HA CYS A 22 2.362 8.680 -4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.526 7.631 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.026 7.095 -6.521 1.00 0.00 H new ATOM 379 N ARG A 23 1.147 9.759 -6.385 1.00 0.00 N ATOM 380 CA ARG A 23 0.341 10.374 -7.435 1.00 0.00 C ATOM 381 C ARG A 23 1.222 10.950 -8.541 1.00 0.00 C ATOM 382 O ARG A 23 0.726 11.572 -9.478 1.00 0.00 O ATOM 383 CB ARG A 23 -0.559 11.473 -6.860 1.00 0.00 C ATOM 384 CG ARG A 23 0.197 12.593 -6.163 1.00 0.00 C ATOM 385 CD ARG A 23 -0.719 13.752 -5.804 1.00 0.00 C ATOM 386 NE ARG A 23 -1.839 13.338 -4.957 1.00 0.00 N ATOM 387 CZ ARG A 23 -3.109 13.338 -5.358 1.00 0.00 C ATOM 388 NH1 ARG A 23 -3.413 13.670 -6.612 1.00 0.00 N ATOM 389 NH2 ARG A 23 -4.074 12.987 -4.515 1.00 0.00 N ATOM 0 H ARG A 23 1.319 10.356 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.287 9.594 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.155 11.899 -7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.256 11.024 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.667 12.207 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.998 12.949 -6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.143 14.521 -5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.106 14.202 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.635 13.032 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.673 13.924 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.386 13.670 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.843 12.717 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.046 12.988 -4.824 1.00 0.00 H new ATOM 403 N LYS A 24 2.529 10.741 -8.425 1.00 0.00 N ATOM 404 CA LYS A 24 3.472 11.250 -9.411 1.00 0.00 C ATOM 405 C LYS A 24 3.996 10.112 -10.283 1.00 0.00 C ATOM 406 O LYS A 24 3.862 10.150 -11.504 1.00 0.00 O ATOM 407 CB LYS A 24 4.627 11.985 -8.717 1.00 0.00 C ATOM 408 CG LYS A 24 4.158 13.067 -7.754 1.00 0.00 C ATOM 409 CD LYS A 24 3.328 14.129 -8.460 1.00 0.00 C ATOM 410 CE LYS A 24 4.186 15.048 -9.315 1.00 0.00 C ATOM 411 NZ LYS A 24 5.000 15.974 -8.483 1.00 0.00 N ATOM 0 H LYS A 24 2.958 10.223 -7.658 1.00 0.00 H new ATOM 0 HA LYS A 24 2.955 11.961 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.234 11.262 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.269 12.435 -9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.568 12.614 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.023 13.535 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.579 13.646 -9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.790 14.721 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.845 14.449 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.547 15.626 -9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.440 16.693 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.388 16.441 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.742 15.437 -7.991 1.00 0.00 H new ATOM 425 N CYS A 25 4.563 9.089 -9.654 1.00 0.00 N ATOM 426 CA CYS A 25 5.076 7.938 -10.396 1.00 0.00 C ATOM 427 C CYS A 25 3.997 6.886 -10.538 1.00 0.00 C ATOM 428 O CYS A 25 3.946 6.150 -11.521 1.00 0.00 O ATOM 429 CB CYS A 25 6.257 7.274 -9.677 1.00 0.00 C ATOM 430 SG CYS A 25 7.470 8.407 -8.944 1.00 0.00 S ATOM 0 H CYS A 25 4.680 9.030 -8.642 1.00 0.00 H new ATOM 0 HA CYS A 25 5.399 8.313 -11.367 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.864 6.632 -8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.774 6.628 -10.387 1.00 0.00 H new ATOM 435 N GLY A 26 3.130 6.829 -9.545 1.00 0.00 N ATOM 436 CA GLY A 26 2.279 5.679 -9.387 1.00 0.00 C ATOM 437 C GLY A 26 2.996 4.603 -8.604 1.00 0.00 C ATOM 438 O GLY A 26 2.634 3.430 -8.648 1.00 0.00 O ATOM 0 H GLY A 26 3.001 7.560 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.362 5.964 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.989 5.295 -10.365 1.00 0.00 H new ATOM 442 N ALA A 27 4.032 5.025 -7.887 1.00 0.00 N ATOM 443 CA ALA A 27 4.841 4.120 -7.089 1.00 0.00 C ATOM 444 C ALA A 27 4.160 3.817 -5.770 1.00 0.00 C ATOM 445 O ALA A 27 3.969 4.712 -4.943 1.00 0.00 O ATOM 446 CB ALA A 27 6.219 4.715 -6.840 1.00 0.00 C ATOM 0 H ALA A 27 4.331 5.999 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 27 4.956 3.189 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.811 4.023 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.718 4.888 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.116 5.660 -6.307 1.00 0.00 H new ATOM 452 N LEU A 28 3.787 2.568 -5.585 1.00 0.00 N ATOM 453 CA LEU A 28 3.174 2.139 -4.344 1.00 0.00 C ATOM 454 C LEU A 28 4.251 1.916 -3.297 1.00 0.00 C ATOM 455 O LEU A 28 5.145 1.089 -3.482 1.00 0.00 O ATOM 456 CB LEU A 28 2.372 0.856 -4.555 1.00 0.00 C ATOM 457 CG LEU A 28 1.327 0.927 -5.667 1.00 0.00 C ATOM 458 CD1 LEU A 28 1.674 -0.042 -6.785 1.00 0.00 C ATOM 459 CD2 LEU A 28 -0.060 0.641 -5.119 1.00 0.00 C ATOM 0 H LEU A 28 3.898 1.830 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 28 2.491 2.916 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.064 0.044 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.871 0.600 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 28 1.328 1.937 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.919 0.022 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.649 0.214 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.703 -1.058 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.789 0.697 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.079 -0.357 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.308 1.378 -4.355 1.00 0.00 H new ATOM 471 N ASN A 29 4.181 2.662 -2.209 1.00 0.00 N ATOM 472 CA ASN A 29 5.159 2.546 -1.152 1.00 0.00 C ATOM 473 C ASN A 29 4.512 1.879 0.043 1.00 0.00 C ATOM 474 O ASN A 29 3.289 1.940 0.200 1.00 0.00 O ATOM 475 CB ASN A 29 5.706 3.927 -0.781 1.00 0.00 C ATOM 476 CG ASN A 29 6.572 4.509 -1.881 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.788 4.340 -1.890 1.00 0.00 O ATOM 478 ND2 ASN A 29 5.953 5.188 -2.830 1.00 0.00 N ATOM 0 H ASN A 29 3.453 3.356 -2.038 1.00 0.00 H new ATOM 0 HA ASN A 29 5.998 1.938 -1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.876 4.603 -0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.288 3.852 0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.487 5.590 -3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.941 5.310 -2.793 1.00 0.00 H new ATOM 485 N PRO A 30 5.303 1.218 0.897 1.00 0.00 N ATOM 486 CA PRO A 30 4.759 0.523 2.046 1.00 0.00 C ATOM 487 C PRO A 30 4.082 1.494 2.993 1.00 0.00 C ATOM 488 O PRO A 30 4.433 2.674 3.046 1.00 0.00 O ATOM 489 CB PRO A 30 5.973 -0.134 2.710 1.00 0.00 C ATOM 490 CG PRO A 30 7.155 0.603 2.187 1.00 0.00 C ATOM 491 CD PRO A 30 6.771 1.120 0.827 1.00 0.00 C ATOM 0 HA PRO A 30 3.998 -0.206 1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.914 -0.062 3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.030 -1.194 2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.425 1.424 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.023 -0.053 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.228 2.088 0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.091 0.442 0.035 1.00 0.00 H new ATOM 499 N ILE A 31 3.114 0.996 3.740 1.00 0.00 N ATOM 500 CA ILE A 31 2.394 1.812 4.706 1.00 0.00 C ATOM 501 C ILE A 31 3.350 2.330 5.787 1.00 0.00 C ATOM 502 O ILE A 31 3.024 3.245 6.541 1.00 0.00 O ATOM 503 CB ILE A 31 1.233 1.023 5.361 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.742 -0.044 6.350 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.370 0.383 4.285 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.454 -1.215 5.705 1.00 0.00 C ATOM 0 H ILE A 31 2.805 0.025 3.697 1.00 0.00 H new ATOM 0 HA ILE A 31 1.967 2.659 4.169 1.00 0.00 H new ATOM 0 HB ILE A 31 0.633 1.730 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.421 0.431 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.896 -0.422 6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.444 -0.170 4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.042 1.159 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.977 -0.299 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.777 -1.914 6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.775 -1.720 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.324 -0.854 5.156 1.00 0.00 H new ATOM 518 N ARG A 32 4.541 1.728 5.833 1.00 0.00 N ATOM 519 CA ARG A 32 5.574 2.106 6.790 1.00 0.00 C ATOM 520 C ARG A 32 6.416 3.264 6.259 1.00 0.00 C ATOM 521 O ARG A 32 7.003 4.018 7.030 1.00 0.00 O ATOM 522 CB ARG A 32 6.493 0.915 7.080 1.00 0.00 C ATOM 523 CG ARG A 32 5.760 -0.370 7.451 1.00 0.00 C ATOM 524 CD ARG A 32 4.863 -0.184 8.666 1.00 0.00 C ATOM 525 NE ARG A 32 5.597 0.337 9.815 1.00 0.00 N ATOM 526 CZ ARG A 32 5.078 0.486 11.029 1.00 0.00 C ATOM 527 NH1 ARG A 32 3.838 0.082 11.286 1.00 0.00 N ATOM 528 NH2 ARG A 32 5.818 1.022 11.989 1.00 0.00 N ATOM 0 H ARG A 32 4.812 0.968 5.209 1.00 0.00 H new ATOM 0 HA ARG A 32 5.076 2.419 7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.111 0.726 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.168 1.182 7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.159 -0.702 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.487 -1.156 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.051 0.498 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.408 -1.139 8.930 1.00 0.00 H new ATOM 0 HE ARG A 32 6.572 0.604 9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.278 -0.346 10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.447 0.200 12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.775 1.315 11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.431 1.142 12.925 1.00 0.00 H new ATOM 542 N ALA A 33 6.476 3.395 4.937 1.00 0.00 N ATOM 543 CA ALA A 33 7.300 4.423 4.308 1.00 0.00 C ATOM 544 C ALA A 33 6.664 5.787 4.467 1.00 0.00 C ATOM 545 O ALA A 33 5.449 5.923 4.376 1.00 0.00 O ATOM 546 CB ALA A 33 7.505 4.129 2.833 1.00 0.00 C ATOM 0 H ALA A 33 5.965 2.804 4.281 1.00 0.00 H new ATOM 0 HA ALA A 33 8.270 4.419 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.122 4.910 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.002 3.165 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.538 4.100 2.330 1.00 0.00 H new ATOM 552 N THR A 34 7.482 6.790 4.698 1.00 0.00 N ATOM 553 CA THR A 34 6.986 8.139 4.860 1.00 0.00 C ATOM 554 C THR A 34 6.602 8.761 3.516 1.00 0.00 C ATOM 555 O THR A 34 5.573 9.431 3.406 1.00 0.00 O ATOM 556 CB THR A 34 8.019 9.024 5.597 1.00 0.00 C ATOM 557 OG1 THR A 34 7.573 10.382 5.648 1.00 0.00 O ATOM 558 CG2 THR A 34 9.383 8.945 4.925 1.00 0.00 C ATOM 0 H THR A 34 8.495 6.697 4.778 1.00 0.00 H new ATOM 0 HA THR A 34 6.084 8.084 5.470 1.00 0.00 H new ATOM 0 HB THR A 34 8.116 8.648 6.616 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.238 10.927 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.091 9.576 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.735 7.914 4.937 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.301 9.289 3.894 1.00 0.00 H new ATOM 566 N LYS A 35 7.396 8.505 2.485 1.00 0.00 N ATOM 567 CA LYS A 35 7.153 9.107 1.191 1.00 0.00 C ATOM 568 C LYS A 35 7.556 8.161 0.078 1.00 0.00 C ATOM 569 O LYS A 35 7.993 7.040 0.327 1.00 0.00 O ATOM 570 CB LYS A 35 7.910 10.435 1.057 1.00 0.00 C ATOM 571 CG LYS A 35 9.420 10.294 0.959 1.00 0.00 C ATOM 572 CD LYS A 35 10.104 11.648 1.034 1.00 0.00 C ATOM 573 CE LYS A 35 11.535 11.541 1.548 1.00 0.00 C ATOM 574 NZ LYS A 35 12.125 12.883 1.806 1.00 0.00 N ATOM 0 H LYS A 35 8.207 7.888 2.523 1.00 0.00 H new ATOM 0 HA LYS A 35 6.085 9.308 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.548 10.957 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.672 11.063 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.781 9.656 1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.682 9.803 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.108 12.107 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.533 12.306 1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.550 10.954 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.145 11.008 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.099 12.773 2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.133 13.434 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.556 13.381 2.520 1.00 0.00 H new ATOM 588 N CYS A 36 7.400 8.629 -1.143 1.00 0.00 N ATOM 589 CA CYS A 36 7.751 7.858 -2.319 1.00 0.00 C ATOM 590 C CYS A 36 9.239 7.553 -2.340 1.00 0.00 C ATOM 591 O CYS A 36 10.058 8.454 -2.198 1.00 0.00 O ATOM 592 CB CYS A 36 7.381 8.667 -3.537 1.00 0.00 C ATOM 593 SG CYS A 36 7.712 7.885 -5.138 1.00 0.00 S ATOM 0 H CYS A 36 7.026 9.555 -1.349 1.00 0.00 H new ATOM 0 HA CYS A 36 7.213 6.910 -2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.318 8.904 -3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.921 9.613 -3.498 1.00 0.00 H new ATOM 598 N ARG A 37 9.594 6.295 -2.517 1.00 0.00 N ATOM 599 CA ARG A 37 11.002 5.923 -2.599 1.00 0.00 C ATOM 600 C ARG A 37 11.498 6.003 -4.043 1.00 0.00 C ATOM 601 O ARG A 37 12.595 5.557 -4.365 1.00 0.00 O ATOM 602 CB ARG A 37 11.228 4.526 -2.007 1.00 0.00 C ATOM 603 CG ARG A 37 10.560 3.405 -2.782 1.00 0.00 C ATOM 604 CD ARG A 37 10.395 2.156 -1.930 1.00 0.00 C ATOM 605 NE ARG A 37 11.658 1.694 -1.356 1.00 0.00 N ATOM 606 CZ ARG A 37 11.771 0.618 -0.573 1.00 0.00 C ATOM 607 NH1 ARG A 37 10.715 -0.149 -0.335 1.00 0.00 N ATOM 608 NH2 ARG A 37 12.946 0.300 -0.045 1.00 0.00 N ATOM 0 H ARG A 37 8.939 5.518 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 37 11.582 6.632 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.300 4.332 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.858 4.514 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.584 3.737 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.154 3.168 -3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.688 2.360 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.964 1.360 -2.538 1.00 0.00 H new ATOM 0 HE ARG A 37 12.503 2.225 -1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.813 0.082 -0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.805 -0.970 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.764 0.878 -0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.031 -0.522 0.553 1.00 0.00 H new ATOM 622 N ARG A 38 10.678 6.595 -4.905 1.00 0.00 N ATOM 623 CA ARG A 38 11.049 6.811 -6.299 1.00 0.00 C ATOM 624 C ARG A 38 11.397 8.276 -6.550 1.00 0.00 C ATOM 625 O ARG A 38 12.433 8.580 -7.134 1.00 0.00 O ATOM 626 CB ARG A 38 9.927 6.359 -7.238 1.00 0.00 C ATOM 627 CG ARG A 38 10.108 4.949 -7.786 1.00 0.00 C ATOM 628 CD ARG A 38 10.141 3.897 -6.687 1.00 0.00 C ATOM 629 NE ARG A 38 10.409 2.564 -7.227 1.00 0.00 N ATOM 630 CZ ARG A 38 10.204 1.425 -6.566 1.00 0.00 C ATOM 631 NH1 ARG A 38 9.658 1.439 -5.355 1.00 0.00 N ATOM 632 NH2 ARG A 38 10.528 0.264 -7.125 1.00 0.00 N ATOM 0 H ARG A 38 9.748 6.935 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 38 11.934 6.209 -6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.978 6.411 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.863 7.057 -8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.295 4.724 -8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.034 4.901 -8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.908 4.156 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.188 3.892 -6.159 1.00 0.00 H new ATOM 0 HE ARG A 38 10.779 2.502 -8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.393 2.325 -4.925 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.504 0.563 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.934 0.244 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.371 -0.607 -6.619 1.00 0.00 H new ATOM 646 N CYS A 39 10.543 9.187 -6.095 1.00 0.00 N ATOM 647 CA CYS A 39 10.818 10.614 -6.270 1.00 0.00 C ATOM 648 C CYS A 39 10.932 11.332 -4.931 1.00 0.00 C ATOM 649 O CYS A 39 11.334 12.495 -4.890 1.00 0.00 O ATOM 650 CB CYS A 39 9.772 11.310 -7.169 1.00 0.00 C ATOM 651 SG CYS A 39 8.044 11.272 -6.567 1.00 0.00 S ATOM 0 H CYS A 39 9.671 8.972 -5.611 1.00 0.00 H new ATOM 0 HA CYS A 39 11.781 10.679 -6.777 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.068 12.351 -7.298 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.803 10.846 -8.155 1.00 0.00 H new ATOM 656 N HIS A 40 10.595 10.639 -3.834 1.00 0.00 N ATOM 657 CA HIS A 40 10.676 11.218 -2.505 1.00 0.00 C ATOM 658 C HIS A 40 9.749 12.404 -2.410 1.00 0.00 C ATOM 659 O HIS A 40 10.150 13.560 -2.490 1.00 0.00 O ATOM 660 CB HIS A 40 12.104 11.600 -2.121 1.00 0.00 C ATOM 661 CG HIS A 40 13.031 10.427 -2.046 1.00 0.00 C ATOM 662 ND1 HIS A 40 14.204 10.347 -2.753 1.00 0.00 N ATOM 663 CD2 HIS A 40 12.947 9.283 -1.331 1.00 0.00 C ATOM 664 CE1 HIS A 40 14.807 9.206 -2.477 1.00 0.00 C ATOM 665 NE2 HIS A 40 14.064 8.538 -1.612 1.00 0.00 N ATOM 0 H HIS A 40 10.264 9.674 -3.852 1.00 0.00 H new ATOM 0 HA HIS A 40 10.361 10.459 -1.789 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.490 12.313 -2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.090 12.106 -1.156 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.147 9.006 -0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 40 15.749 8.874 -2.889 1.00 0.00 H new ATOM 0 HE2 HIS A 40 14.284 7.623 -1.219 1.00 0.00 H new ATOM 674 N SER A 41 8.492 12.074 -2.285 1.00 0.00 N ATOM 675 CA SER A 41 7.435 13.035 -2.194 1.00 0.00 C ATOM 676 C SER A 41 6.330 12.390 -1.398 1.00 0.00 C ATOM 677 O SER A 41 6.019 11.214 -1.605 1.00 0.00 O ATOM 678 CB SER A 41 6.947 13.427 -3.592 1.00 0.00 C ATOM 679 OG SER A 41 7.997 13.999 -4.356 1.00 0.00 O ATOM 0 H SER A 41 8.171 11.107 -2.243 1.00 0.00 H new ATOM 0 HA SER A 41 7.775 13.950 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.557 12.548 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.125 14.138 -3.508 1.00 0.00 H new ATOM 0 HG SER A 41 8.228 13.399 -5.095 1.00 0.00 H new ATOM 685 N THR A 42 5.765 13.125 -0.473 1.00 0.00 N ATOM 686 CA THR A 42 4.749 12.586 0.396 1.00 0.00 C ATOM 687 C THR A 42 3.383 12.691 -0.265 1.00 0.00 C ATOM 688 O THR A 42 2.342 12.631 0.388 1.00 0.00 O ATOM 689 CB THR A 42 4.785 13.303 1.751 1.00 0.00 C ATOM 690 OG1 THR A 42 4.797 14.723 1.555 1.00 0.00 O ATOM 691 CG2 THR A 42 6.028 12.874 2.520 1.00 0.00 C ATOM 0 H THR A 42 5.993 14.104 -0.302 1.00 0.00 H new ATOM 0 HA THR A 42 4.946 11.529 0.574 1.00 0.00 H new ATOM 0 HB THR A 42 3.897 13.035 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.818 15.173 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.054 13.384 3.483 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.003 11.796 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.918 13.135 1.948 1.00 0.00 H new ATOM 699 N ASN A 43 3.414 12.792 -1.589 1.00 0.00 N ATOM 700 CA ASN A 43 2.211 12.865 -2.389 1.00 0.00 C ATOM 701 C ASN A 43 1.739 11.460 -2.704 1.00 0.00 C ATOM 702 O ASN A 43 1.657 11.048 -3.866 1.00 0.00 O ATOM 703 CB ASN A 43 2.480 13.618 -3.689 1.00 0.00 C ATOM 704 CG ASN A 43 2.827 15.079 -3.477 1.00 0.00 C ATOM 705 OD1 ASN A 43 3.614 15.651 -4.229 1.00 0.00 O ATOM 706 ND2 ASN A 43 2.239 15.699 -2.468 1.00 0.00 N ATOM 0 H ASN A 43 4.277 12.825 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 43 1.443 13.399 -1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.298 13.131 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.600 13.550 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.433 16.685 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.591 15.191 -1.865 1.00 0.00 H new ATOM 713 N LEU A 44 1.467 10.720 -1.656 1.00 0.00 N ATOM 714 CA LEU A 44 0.970 9.373 -1.785 1.00 0.00 C ATOM 715 C LEU A 44 -0.486 9.336 -1.358 1.00 0.00 C ATOM 716 O LEU A 44 -0.934 10.173 -0.575 1.00 0.00 O ATOM 717 CB LEU A 44 1.792 8.423 -0.917 1.00 0.00 C ATOM 718 CG LEU A 44 3.280 8.762 -0.809 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.939 7.879 0.236 1.00 0.00 C ATOM 720 CD2 LEU A 44 3.975 8.606 -2.150 1.00 0.00 C ATOM 0 H LEU A 44 1.584 11.034 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 44 1.054 9.055 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.365 8.411 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.694 7.414 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 44 3.373 9.804 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.998 8.127 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.463 8.042 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.830 6.833 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.031 8.853 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.876 7.576 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.517 9.276 -2.877 1.00 0.00 H new ATOM 732 N ARG A 45 -1.217 8.388 -1.889 1.00 0.00 N ATOM 733 CA ARG A 45 -2.597 8.184 -1.498 1.00 0.00 C ATOM 734 C ARG A 45 -2.791 6.714 -1.189 1.00 0.00 C ATOM 735 O ARG A 45 -2.458 5.855 -2.009 1.00 0.00 O ATOM 736 CB ARG A 45 -3.568 8.644 -2.598 1.00 0.00 C ATOM 737 CG ARG A 45 -3.314 7.994 -3.944 1.00 0.00 C ATOM 738 CD ARG A 45 -2.616 8.942 -4.906 1.00 0.00 C ATOM 739 NE ARG A 45 -1.987 8.218 -6.009 1.00 0.00 N ATOM 740 CZ ARG A 45 -2.451 8.185 -7.258 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.549 8.850 -7.584 1.00 0.00 N ATOM 742 NH2 ARG A 45 -1.806 7.488 -8.187 1.00 0.00 N ATOM 0 H ARG A 45 -0.879 7.738 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.815 8.784 -0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.589 8.424 -2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.494 9.726 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.704 7.101 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.261 7.670 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.338 9.656 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.861 9.516 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.131 7.701 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.046 9.392 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.898 8.820 -8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.956 6.979 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.160 7.462 -9.143 1.00 0.00 H new ATOM 756 N LEU A 46 -3.269 6.416 0.004 1.00 0.00 N ATOM 757 CA LEU A 46 -3.456 5.036 0.398 1.00 0.00 C ATOM 758 C LEU A 46 -4.646 4.451 -0.324 1.00 0.00 C ATOM 759 O LEU A 46 -5.727 5.041 -0.368 1.00 0.00 O ATOM 760 CB LEU A 46 -3.599 4.900 1.915 1.00 0.00 C ATOM 761 CG LEU A 46 -3.475 3.470 2.444 1.00 0.00 C ATOM 762 CD1 LEU A 46 -2.504 3.408 3.607 1.00 0.00 C ATOM 763 CD2 LEU A 46 -4.836 2.925 2.852 1.00 0.00 C ATOM 0 H LEU A 46 -3.532 7.104 0.710 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.567 4.473 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.839 5.517 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.569 5.300 2.212 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.084 2.845 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.432 2.382 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.521 3.747 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.860 4.051 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.723 1.907 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.260 3.554 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.501 2.923 1.988 1.00 0.00 H new ATOM 775 N LYS A 47 -4.409 3.296 -0.908 1.00 0.00 N ATOM 776 CA LYS A 47 -5.371 2.628 -1.750 1.00 0.00 C ATOM 777 C LYS A 47 -6.683 2.388 -1.026 1.00 0.00 C ATOM 778 O LYS A 47 -6.716 1.812 0.065 1.00 0.00 O ATOM 779 CB LYS A 47 -4.772 1.320 -2.241 1.00 0.00 C ATOM 780 CG LYS A 47 -4.622 1.269 -3.742 1.00 0.00 C ATOM 781 CD LYS A 47 -5.976 1.095 -4.407 1.00 0.00 C ATOM 782 CE LYS A 47 -5.874 1.100 -5.920 1.00 0.00 C ATOM 783 NZ LYS A 47 -7.191 0.850 -6.559 1.00 0.00 N ATOM 0 H LYS A 47 -3.529 2.790 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.598 3.269 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.795 1.177 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.403 0.493 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.151 2.185 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.965 0.445 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.423 0.157 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.642 1.896 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.483 2.061 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.164 0.338 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.083 0.861 -7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.552 -0.078 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.862 1.592 -6.274 1.00 0.00 H new ATOM 797 N LYS A 48 -7.759 2.847 -1.641 1.00 0.00 N ATOM 798 CA LYS A 48 -9.085 2.695 -1.081 1.00 0.00 C ATOM 799 C LYS A 48 -9.509 1.240 -1.157 1.00 0.00 C ATOM 800 O LYS A 48 -9.183 0.536 -2.114 1.00 0.00 O ATOM 801 CB LYS A 48 -10.083 3.589 -1.822 1.00 0.00 C ATOM 802 CG LYS A 48 -9.654 5.043 -1.883 1.00 0.00 C ATOM 803 CD LYS A 48 -9.618 5.658 -0.495 1.00 0.00 C ATOM 804 CE LYS A 48 -10.999 6.090 -0.032 1.00 0.00 C ATOM 805 NZ LYS A 48 -11.517 7.233 -0.828 1.00 0.00 N ATOM 0 H LYS A 48 -7.736 3.333 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.068 3.002 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.214 3.213 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.054 3.524 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.668 5.116 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.343 5.603 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.207 4.937 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.950 6.519 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.688 5.250 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.958 6.369 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.272 7.712 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.745 7.904 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.897 6.883 -1.731 1.00 0.00 H new ATOM 819 N LYS A 49 -10.210 0.786 -0.135 1.00 0.00 N ATOM 820 CA LYS A 49 -10.636 -0.597 -0.061 1.00 0.00 C ATOM 821 C LYS A 49 -11.952 -0.800 -0.792 1.00 0.00 C ATOM 822 O LYS A 49 -13.006 -0.369 -0.322 1.00 0.00 O ATOM 823 CB LYS A 49 -10.770 -1.032 1.403 1.00 0.00 C ATOM 824 CG LYS A 49 -9.440 -1.132 2.130 1.00 0.00 C ATOM 825 CD LYS A 49 -8.614 -2.302 1.615 1.00 0.00 C ATOM 826 CE LYS A 49 -9.287 -3.637 1.904 1.00 0.00 C ATOM 827 NZ LYS A 49 -8.518 -4.782 1.346 1.00 0.00 N ATOM 0 H LYS A 49 -10.497 1.359 0.659 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.879 -1.213 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.409 -0.322 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.270 -2.000 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.882 -0.205 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.616 -1.251 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.463 -2.196 0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.628 -2.284 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.394 -3.763 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.292 -3.635 1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.011 -5.671 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.437 -4.676 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.567 -4.800 1.768 1.00 0.00 H new ATOM 841 N GLU A 50 -11.884 -1.416 -1.961 1.00 0.00 N ATOM 842 CA GLU A 50 -13.086 -1.816 -2.669 1.00 0.00 C ATOM 843 C GLU A 50 -13.589 -3.134 -2.108 1.00 0.00 C ATOM 844 O GLU A 50 -12.905 -4.155 -2.186 1.00 0.00 O ATOM 845 CB GLU A 50 -12.844 -1.945 -4.174 1.00 0.00 C ATOM 846 CG GLU A 50 -12.833 -0.616 -4.911 1.00 0.00 C ATOM 847 CD GLU A 50 -11.596 0.213 -4.634 1.00 0.00 C ATOM 848 OE1 GLU A 50 -10.529 -0.098 -5.207 1.00 0.00 O ATOM 849 OE2 GLU A 50 -11.686 1.183 -3.855 1.00 0.00 O ATOM 0 H GLU A 50 -11.012 -1.649 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.837 -1.040 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.891 -2.448 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.618 -2.581 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.905 -0.802 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.716 -0.044 -4.627 1.00 0.00 H new ATOM 856 N LEU A 51 -14.774 -3.105 -1.527 1.00 0.00 N ATOM 857 CA LEU A 51 -15.330 -4.288 -0.893 1.00 0.00 C ATOM 858 C LEU A 51 -16.057 -5.144 -1.917 1.00 0.00 C ATOM 859 O LEU A 51 -16.650 -4.627 -2.863 1.00 0.00 O ATOM 860 CB LEU A 51 -16.299 -3.923 0.243 1.00 0.00 C ATOM 861 CG LEU A 51 -15.701 -3.158 1.434 1.00 0.00 C ATOM 862 CD1 LEU A 51 -14.387 -3.781 1.880 1.00 0.00 C ATOM 863 CD2 LEU A 51 -15.524 -1.682 1.108 1.00 0.00 C ATOM 0 H LEU A 51 -15.369 -2.278 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.497 -4.848 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -17.107 -3.324 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -16.747 -4.843 0.618 1.00 0.00 H new ATOM 0 HG LEU A 51 -16.405 -3.232 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.986 -3.220 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.558 -4.815 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.674 -3.756 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.099 -1.167 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.854 -1.576 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.492 -1.244 0.865 1.00 0.00 H new ATOM 875 N PRO A 52 -16.016 -6.469 -1.737 1.00 0.00 N ATOM 876 CA PRO A 52 -16.738 -7.407 -2.593 1.00 0.00 C ATOM 877 C PRO A 52 -18.223 -7.443 -2.249 1.00 0.00 C ATOM 878 O PRO A 52 -19.027 -8.052 -2.954 1.00 0.00 O ATOM 879 CB PRO A 52 -16.075 -8.746 -2.272 1.00 0.00 C ATOM 880 CG PRO A 52 -15.608 -8.606 -0.865 1.00 0.00 C ATOM 881 CD PRO A 52 -15.249 -7.155 -0.683 1.00 0.00 C ATOM 0 HA PRO A 52 -16.691 -7.141 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -16.779 -9.572 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -15.244 -8.949 -2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -16.388 -8.905 -0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.747 -9.247 -0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.523 -6.796 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.177 -6.991 -0.797 1.00 0.00 H new ATOM 889 N THR A 53 -18.571 -6.791 -1.152 1.00 0.00 N ATOM 890 CA THR A 53 -19.945 -6.712 -0.704 1.00 0.00 C ATOM 891 C THR A 53 -20.445 -5.276 -0.777 1.00 0.00 C ATOM 892 O THR A 53 -19.657 -4.327 -0.696 1.00 0.00 O ATOM 893 CB THR A 53 -20.083 -7.233 0.740 1.00 0.00 C ATOM 894 OG1 THR A 53 -19.077 -6.635 1.574 1.00 0.00 O ATOM 895 CG2 THR A 53 -19.955 -8.749 0.789 1.00 0.00 C ATOM 0 H THR A 53 -17.908 -6.303 -0.550 1.00 0.00 H new ATOM 0 HA THR A 53 -20.548 -7.337 -1.362 1.00 0.00 H new ATOM 0 HB THR A 53 -21.072 -6.959 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 53 -19.171 -6.969 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 53 -20.056 -9.090 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 53 -20.738 -9.200 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 53 -18.979 -9.044 0.403 1.00 0.00 H new ATOM 903 N LYS A 54 -21.746 -5.115 -0.927 1.00 0.00 N ATOM 904 CA LYS A 54 -22.343 -3.793 -1.011 1.00 0.00 C ATOM 905 C LYS A 54 -22.937 -3.394 0.332 1.00 0.00 C ATOM 906 O LYS A 54 -23.660 -4.171 0.956 1.00 0.00 O ATOM 907 CB LYS A 54 -23.422 -3.763 -2.096 1.00 0.00 C ATOM 908 CG LYS A 54 -24.162 -2.437 -2.191 1.00 0.00 C ATOM 909 CD LYS A 54 -25.236 -2.478 -3.262 1.00 0.00 C ATOM 910 CE LYS A 54 -26.074 -1.210 -3.270 1.00 0.00 C ATOM 911 NZ LYS A 54 -25.261 -0.002 -3.566 1.00 0.00 N ATOM 0 H LYS A 54 -22.412 -5.884 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.564 -3.078 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -22.961 -3.981 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -24.143 -4.557 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -24.615 -2.202 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.454 -1.639 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.771 -2.612 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.882 -3.340 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -26.866 -1.304 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -26.559 -1.091 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -25.852 0.704 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -24.900 0.400 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -24.462 -0.263 -4.178 1.00 0.00 H new ATOM 925 N LYS A 55 -22.619 -2.191 0.778 1.00 0.00 N ATOM 926 CA LYS A 55 -23.172 -1.670 2.015 1.00 0.00 C ATOM 927 C LYS A 55 -23.823 -0.317 1.769 1.00 0.00 C ATOM 928 O LYS A 55 -24.890 -0.019 2.311 1.00 0.00 O ATOM 929 CB LYS A 55 -22.083 -1.557 3.083 1.00 0.00 C ATOM 930 CG LYS A 55 -22.595 -1.078 4.430 1.00 0.00 C ATOM 931 CD LYS A 55 -21.589 -1.343 5.533 1.00 0.00 C ATOM 932 CE LYS A 55 -22.167 -0.999 6.892 1.00 0.00 C ATOM 933 NZ LYS A 55 -21.448 -1.696 7.985 1.00 0.00 N ATOM 0 H LYS A 55 -21.979 -1.556 0.300 1.00 0.00 H new ATOM 0 HA LYS A 55 -23.933 -2.362 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.609 -2.530 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.313 -0.870 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -22.809 -0.010 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -23.533 -1.581 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -21.293 -2.392 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.689 -0.754 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.112 0.078 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -23.222 -1.271 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.871 -1.437 8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.522 -2.724 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.446 -1.417 7.975 1.00 0.00 H new ATOM 947 N GLY A 56 -23.185 0.491 0.938 1.00 0.00 N ATOM 948 CA GLY A 56 -23.725 1.793 0.620 1.00 0.00 C ATOM 949 C GLY A 56 -24.345 1.820 -0.759 1.00 0.00 C ATOM 950 O GLY A 56 -25.343 2.544 -0.952 1.00 0.00 O ATOM 951 OXT GLY A 56 -23.839 1.113 -1.657 1.00 0.00 O ATOM 0 H GLY A 56 -22.302 0.268 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -24.475 2.067 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -22.933 2.539 0.677 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 6.962 9.244 -6.839 1.00 0.00 ZN