USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 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: B 18 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 22 ASN : amide:sc= 0.0182 K(o=0.018,f=-0.81) USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= 0.0234 K(o=0.023,f=-0.86) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -165:sc= -0.0743 (180deg=-0.405) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc=-0.00592 (180deg=-0.144) USER MOD Single : A 5 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.2!) USER MOD Single : A 9 LYS NZ :NH3+ 133:sc= 0.141 (180deg=-0.208) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= -1.25 (180deg=-3.17!) USER MOD Single : A 17 ASN : amide:sc= -3.57! C(o=-3.6!,f=-9.2!) USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.221 F(o=-0.8,f=0.22) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.0164 (180deg=-0.134) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc=-0.00804 (180deg=-0.161) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -165:sc= -0.0684 (180deg=-0.387) USER MOD Single : B 4 LYS NZ :NH3+ 169:sc=-0.00616 (180deg=-0.135) USER MOD Single : B 5 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.3!) USER MOD Single : B 9 LYS NZ :NH3+ 132:sc= 0.138 (180deg=-0.189) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 149:sc= -1.2 (180deg=-3.19!) USER MOD Single : B 17 ASN : amide:sc= -3.62! C(o=-3.6!,f=-9.2!) USER MOD Single : B 19 HIS :FLIP no HE2:sc= 0.235 F(o=-0.85,f=0.24) USER MOD Single : B 28 LYS NZ :NH3+ -171:sc= -0.0175 (180deg=-0.141) USER MOD Single : B 29 LYS NZ :NH3+ 169:sc= -0.0131 (180deg=-0.157) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.881 -5.400 -4.964 1.00 0.00 N ATOM 2 CA GLY A 1 -24.733 -5.791 -4.115 1.00 0.00 C ATOM 3 C GLY A 1 -23.555 -4.860 -4.296 1.00 0.00 C ATOM 4 O GLY A 1 -22.932 -4.840 -5.357 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.668 -6.063 -4.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.186 -4.437 -4.714 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.597 -5.425 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.039 -5.791 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.431 -6.810 -4.359 1.00 0.00 H new ATOM 10 N SER A 2 -23.259 -4.078 -3.272 1.00 0.00 N ATOM 11 CA SER A 2 -22.149 -3.140 -3.326 1.00 0.00 C ATOM 12 C SER A 2 -21.054 -3.520 -2.338 1.00 0.00 C ATOM 13 O SER A 2 -19.875 -3.307 -2.605 1.00 0.00 O ATOM 14 CB SER A 2 -22.654 -1.726 -3.035 1.00 0.00 C ATOM 15 OG SER A 2 -23.602 -1.739 -1.980 1.00 0.00 O ATOM 0 H SER A 2 -23.773 -4.074 -2.391 1.00 0.00 H new ATOM 0 HA SER A 2 -21.721 -3.174 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.815 -1.083 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.107 -1.304 -3.932 1.00 0.00 H new ATOM 0 HG SER A 2 -23.912 -0.825 -1.807 1.00 0.00 H new ATOM 21 N MET A 3 -21.447 -4.111 -1.215 1.00 0.00 N ATOM 22 CA MET A 3 -20.515 -4.405 -0.131 1.00 0.00 C ATOM 23 C MET A 3 -19.315 -5.212 -0.611 1.00 0.00 C ATOM 24 O MET A 3 -18.176 -4.788 -0.444 1.00 0.00 O ATOM 25 CB MET A 3 -21.221 -5.146 1.003 1.00 0.00 C ATOM 26 CG MET A 3 -22.265 -4.308 1.721 1.00 0.00 C ATOM 27 SD MET A 3 -21.583 -2.796 2.432 1.00 0.00 S ATOM 28 CE MET A 3 -20.394 -3.463 3.595 1.00 0.00 C ATOM 0 H MET A 3 -22.409 -4.397 -1.031 1.00 0.00 H new ATOM 0 HA MET A 3 -20.147 -3.449 0.240 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.699 -6.039 0.600 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.477 -5.481 1.725 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.059 -4.048 1.021 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.720 -4.903 2.513 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.088 -2.682 4.291 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.848 -4.285 4.149 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.521 -3.829 3.054 1.00 0.00 H new ATOM 38 N LYS A 4 -19.572 -6.347 -1.248 1.00 0.00 N ATOM 39 CA LYS A 4 -18.501 -7.246 -1.677 1.00 0.00 C ATOM 40 C LYS A 4 -17.716 -6.668 -2.853 1.00 0.00 C ATOM 41 O LYS A 4 -16.648 -7.162 -3.198 1.00 0.00 O ATOM 42 CB LYS A 4 -19.060 -8.622 -2.060 1.00 0.00 C ATOM 43 CG LYS A 4 -19.359 -9.538 -0.877 1.00 0.00 C ATOM 44 CD LYS A 4 -20.534 -9.046 -0.046 1.00 0.00 C ATOM 45 CE LYS A 4 -20.840 -9.995 1.102 1.00 0.00 C ATOM 46 NZ LYS A 4 -19.708 -10.098 2.059 1.00 0.00 N ATOM 0 H LYS A 4 -20.511 -6.670 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.822 -7.358 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.976 -8.481 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.346 -9.120 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.572 -10.542 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.475 -9.610 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.312 -8.055 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.414 -8.946 -0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.730 -9.650 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.068 -10.984 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.025 -10.586 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.932 -10.636 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.373 -9.144 2.304 1.00 0.00 H new ATOM 60 N GLN A 5 -18.234 -5.602 -3.437 1.00 0.00 N ATOM 61 CA GLN A 5 -17.628 -4.994 -4.612 1.00 0.00 C ATOM 62 C GLN A 5 -16.751 -3.835 -4.181 1.00 0.00 C ATOM 63 O GLN A 5 -15.669 -3.614 -4.726 1.00 0.00 O ATOM 64 CB GLN A 5 -18.702 -4.501 -5.581 1.00 0.00 C ATOM 65 CG GLN A 5 -19.663 -5.583 -6.052 1.00 0.00 C ATOM 66 CD GLN A 5 -19.001 -6.653 -6.906 1.00 0.00 C ATOM 67 OE1 GLN A 5 -17.825 -6.977 -6.735 1.00 0.00 O ATOM 68 NE2 GLN A 5 -19.758 -7.207 -7.838 1.00 0.00 N ATOM 0 H GLN A 5 -19.081 -5.135 -3.114 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.023 -5.743 -5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.274 -3.708 -5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.215 -4.060 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.120 -6.055 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.467 -5.120 -6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.728 -6.912 -7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.372 -7.929 -8.446 1.00 0.00 H new ATOM 77 N LEU A 6 -17.234 -3.093 -3.197 1.00 0.00 N ATOM 78 CA LEU A 6 -16.443 -2.056 -2.569 1.00 0.00 C ATOM 79 C LEU A 6 -15.326 -2.702 -1.768 1.00 0.00 C ATOM 80 O LEU A 6 -14.172 -2.291 -1.859 1.00 0.00 O ATOM 81 CB LEU A 6 -17.312 -1.176 -1.658 1.00 0.00 C ATOM 82 CG LEU A 6 -18.069 -0.008 -2.323 1.00 0.00 C ATOM 83 CD1 LEU A 6 -17.106 1.074 -2.795 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.922 -0.491 -3.484 1.00 0.00 C ATOM 0 H LEU A 6 -18.175 -3.193 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 6 -16.019 -1.415 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.044 -1.817 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.673 -0.764 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.728 0.420 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.668 1.884 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.548 1.462 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.412 0.651 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.442 0.356 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.285 -0.961 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.652 -1.215 -3.123 1.00 0.00 H new ATOM 96 N GLU A 7 -15.676 -3.741 -1.007 1.00 0.00 N ATOM 97 CA GLU A 7 -14.689 -4.500 -0.245 1.00 0.00 C ATOM 98 C GLU A 7 -13.664 -5.144 -1.171 1.00 0.00 C ATOM 99 O GLU A 7 -12.502 -5.299 -0.794 1.00 0.00 O ATOM 100 CB GLU A 7 -15.366 -5.571 0.613 1.00 0.00 C ATOM 101 CG GLU A 7 -16.145 -5.011 1.793 1.00 0.00 C ATOM 102 CD GLU A 7 -15.249 -4.435 2.874 1.00 0.00 C ATOM 103 OE1 GLU A 7 -14.975 -5.152 3.858 1.00 0.00 O ATOM 104 OE2 GLU A 7 -14.826 -3.268 2.739 1.00 0.00 O ATOM 0 H GLU A 7 -16.635 -4.074 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.172 -3.802 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.043 -6.152 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.607 -6.259 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.823 -4.235 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.762 -5.801 2.222 1.00 0.00 H new ATOM 111 N ASP A 8 -14.088 -5.521 -2.379 1.00 0.00 N ATOM 112 CA ASP A 8 -13.146 -6.059 -3.363 1.00 0.00 C ATOM 113 C ASP A 8 -12.065 -5.037 -3.688 1.00 0.00 C ATOM 114 O ASP A 8 -10.894 -5.384 -3.826 1.00 0.00 O ATOM 115 CB ASP A 8 -13.847 -6.483 -4.654 1.00 0.00 C ATOM 116 CG ASP A 8 -14.201 -7.957 -4.669 1.00 0.00 C ATOM 117 OD1 ASP A 8 -15.219 -8.315 -5.297 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.460 -8.752 -4.053 1.00 0.00 O ATOM 0 H ASP A 8 -15.056 -5.466 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.691 -6.943 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.755 -5.894 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.202 -6.260 -5.504 1.00 0.00 H new ATOM 123 N LYS A 9 -12.467 -3.777 -3.794 1.00 0.00 N ATOM 124 CA LYS A 9 -11.542 -2.698 -4.119 1.00 0.00 C ATOM 125 C LYS A 9 -10.634 -2.381 -2.936 1.00 0.00 C ATOM 126 O LYS A 9 -9.443 -2.116 -3.112 1.00 0.00 O ATOM 127 CB LYS A 9 -12.318 -1.450 -4.546 1.00 0.00 C ATOM 128 CG LYS A 9 -13.157 -1.660 -5.795 1.00 0.00 C ATOM 129 CD LYS A 9 -14.030 -0.455 -6.096 1.00 0.00 C ATOM 130 CE LYS A 9 -14.808 -0.652 -7.388 1.00 0.00 C ATOM 131 NZ LYS A 9 -15.700 -1.840 -7.327 1.00 0.00 N ATOM 0 H LYS A 9 -13.432 -3.476 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.913 -3.024 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.968 -1.138 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.615 -0.636 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.502 -1.856 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.785 -2.541 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.724 -0.290 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.409 0.437 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.403 0.238 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.110 -0.765 -8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.644 -1.584 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.305 -2.601 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.776 -2.167 -6.343 1.00 0.00 H new ATOM 145 N VAL A 10 -11.195 -2.418 -1.731 1.00 0.00 N ATOM 146 CA VAL A 10 -10.415 -2.169 -0.524 1.00 0.00 C ATOM 147 C VAL A 10 -9.318 -3.225 -0.387 1.00 0.00 C ATOM 148 O VAL A 10 -8.144 -2.901 -0.213 1.00 0.00 O ATOM 149 CB VAL A 10 -11.285 -2.189 0.755 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.523 -1.601 1.927 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.593 -1.444 0.568 1.00 0.00 C ATOM 0 H VAL A 10 -12.182 -2.617 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.983 -1.173 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.522 -3.233 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.151 -1.624 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.621 -2.186 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.249 -0.570 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.170 -1.485 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.386 -0.404 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.164 -1.907 -0.237 1.00 0.00 H new ATOM 161 N GLU A 11 -9.707 -4.493 -0.506 1.00 0.00 N ATOM 162 CA GLU A 11 -8.766 -5.606 -0.379 1.00 0.00 C ATOM 163 C GLU A 11 -7.798 -5.645 -1.562 1.00 0.00 C ATOM 164 O GLU A 11 -6.726 -6.244 -1.479 1.00 0.00 O ATOM 165 CB GLU A 11 -9.517 -6.934 -0.296 1.00 0.00 C ATOM 166 CG GLU A 11 -10.414 -7.057 0.921 1.00 0.00 C ATOM 167 CD GLU A 11 -11.185 -8.360 0.936 1.00 0.00 C ATOM 168 OE1 GLU A 11 -12.351 -8.364 0.487 1.00 0.00 O ATOM 169 OE2 GLU A 11 -10.624 -9.379 1.394 1.00 0.00 O ATOM 0 H GLU A 11 -10.669 -4.776 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.196 -5.454 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.122 -7.055 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.794 -7.749 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.809 -6.985 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.115 -6.222 0.939 1.00 0.00 H new ATOM 176 N GLU A 12 -8.187 -5.013 -2.658 1.00 0.00 N ATOM 177 CA GLU A 12 -7.335 -4.914 -3.833 1.00 0.00 C ATOM 178 C GLU A 12 -6.144 -4.028 -3.514 1.00 0.00 C ATOM 179 O GLU A 12 -4.993 -4.391 -3.764 1.00 0.00 O ATOM 180 CB GLU A 12 -8.127 -4.347 -5.012 1.00 0.00 C ATOM 181 CG GLU A 12 -7.313 -4.172 -6.281 1.00 0.00 C ATOM 182 CD GLU A 12 -8.145 -3.638 -7.428 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.425 -4.410 -8.365 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.528 -2.449 -7.382 1.00 0.00 O ATOM 0 H GLU A 12 -9.094 -4.558 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.978 -5.906 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.968 -5.008 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.544 -3.382 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.485 -3.490 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.878 -5.130 -6.566 1.00 0.00 H new ATOM 191 N LEU A 13 -6.426 -2.873 -2.931 1.00 0.00 N ATOM 192 CA LEU A 13 -5.377 -1.981 -2.480 1.00 0.00 C ATOM 193 C LEU A 13 -4.652 -2.596 -1.290 1.00 0.00 C ATOM 194 O LEU A 13 -3.473 -2.341 -1.070 1.00 0.00 O ATOM 195 CB LEU A 13 -5.950 -0.614 -2.109 1.00 0.00 C ATOM 196 CG LEU A 13 -6.581 0.162 -3.266 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.009 1.540 -2.801 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.611 0.275 -4.435 1.00 0.00 C ATOM 0 H LEU A 13 -7.373 -2.534 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.666 -1.839 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.702 -0.751 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.153 -0.008 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.461 -0.384 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.457 2.082 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.739 1.442 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.140 2.087 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.082 0.831 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.711 0.798 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.345 -0.722 -4.785 1.00 0.00 H new ATOM 210 N LEU A 14 -5.374 -3.415 -0.535 1.00 0.00 N ATOM 211 CA LEU A 14 -4.806 -4.158 0.585 1.00 0.00 C ATOM 212 C LEU A 14 -3.730 -5.125 0.093 1.00 0.00 C ATOM 213 O LEU A 14 -2.754 -5.403 0.790 1.00 0.00 O ATOM 214 CB LEU A 14 -5.908 -4.950 1.286 1.00 0.00 C ATOM 215 CG LEU A 14 -5.531 -5.563 2.636 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.416 -4.489 3.705 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.553 -6.614 3.040 1.00 0.00 C ATOM 0 H LEU A 14 -6.369 -3.583 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.357 -3.449 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.765 -4.292 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.232 -5.751 0.622 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.558 -6.044 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.147 -4.949 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.647 -3.772 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.371 -3.975 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.273 -7.043 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.537 -6.152 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.582 -7.401 2.287 1.00 0.00 H new ATOM 229 N SER A 15 -3.924 -5.628 -1.116 1.00 0.00 N ATOM 230 CA SER A 15 -3.019 -6.596 -1.710 1.00 0.00 C ATOM 231 C SER A 15 -1.706 -5.927 -2.087 1.00 0.00 C ATOM 232 O SER A 15 -0.632 -6.404 -1.724 1.00 0.00 O ATOM 233 CB SER A 15 -3.667 -7.240 -2.939 1.00 0.00 C ATOM 234 OG SER A 15 -2.831 -8.233 -3.507 1.00 0.00 O ATOM 0 H SER A 15 -4.713 -5.376 -1.712 1.00 0.00 H new ATOM 0 HA SER A 15 -2.810 -7.377 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.622 -7.684 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.880 -6.473 -3.683 1.00 0.00 H new ATOM 0 HG SER A 15 -3.274 -8.626 -4.288 1.00 0.00 H new ATOM 240 N LYS A 16 -1.787 -4.813 -2.805 1.00 0.00 N ATOM 241 CA LYS A 16 -0.582 -4.073 -3.147 1.00 0.00 C ATOM 242 C LYS A 16 0.030 -3.457 -1.898 1.00 0.00 C ATOM 243 O LYS A 16 1.241 -3.328 -1.810 1.00 0.00 O ATOM 244 CB LYS A 16 -0.832 -3.007 -4.218 1.00 0.00 C ATOM 245 CG LYS A 16 -1.881 -1.967 -3.855 1.00 0.00 C ATOM 246 CD LYS A 16 -2.107 -0.966 -4.983 1.00 0.00 C ATOM 247 CE LYS A 16 -1.038 0.123 -5.027 1.00 0.00 C ATOM 248 NZ LYS A 16 0.296 -0.387 -5.446 1.00 0.00 N ATOM 0 H LYS A 16 -2.656 -4.410 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 16 0.125 -4.784 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.108 -2.496 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.137 -3.503 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.821 -2.467 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.569 -1.436 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.120 -1.495 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.086 -0.503 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.354 0.907 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.953 0.580 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.804 0.356 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.844 -0.657 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.173 -1.217 -6.060 1.00 0.00 H new ATOM 262 N ASN A 17 -0.812 -3.099 -0.930 1.00 0.00 N ATOM 263 CA ASN A 17 -0.332 -2.672 0.386 1.00 0.00 C ATOM 264 C ASN A 17 0.530 -3.762 0.994 1.00 0.00 C ATOM 265 O ASN A 17 1.569 -3.487 1.589 1.00 0.00 O ATOM 266 CB ASN A 17 -1.502 -2.367 1.321 1.00 0.00 C ATOM 267 CG ASN A 17 -1.760 -0.884 1.471 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.835 -0.079 1.491 1.00 0.00 O ATOM 269 ND2 ASN A 17 -3.023 -0.513 1.569 1.00 0.00 N ATOM 0 H ASN A 17 -1.827 -3.096 -1.030 1.00 0.00 H new ATOM 0 HA ASN A 17 0.256 -1.763 0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.401 -2.851 0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.299 -2.797 2.302 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.258 0.475 1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.764 -1.214 1.548 1.00 0.00 H new ATOM 276 N TYR A 18 0.095 -5.008 0.836 1.00 0.00 N ATOM 277 CA TYR A 18 0.881 -6.142 1.301 1.00 0.00 C ATOM 278 C TYR A 18 2.203 -6.211 0.542 1.00 0.00 C ATOM 279 O TYR A 18 3.265 -6.405 1.135 1.00 0.00 O ATOM 280 CB TYR A 18 0.099 -7.447 1.127 1.00 0.00 C ATOM 281 CG TYR A 18 0.836 -8.667 1.628 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.481 -9.527 0.747 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.894 -8.954 2.985 1.00 0.00 C ATOM 284 CE1 TYR A 18 2.160 -10.637 1.205 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.571 -10.063 3.450 1.00 0.00 C ATOM 286 CZ TYR A 18 2.202 -10.901 2.557 1.00 0.00 C ATOM 287 OH TYR A 18 2.880 -12.004 3.020 1.00 0.00 O ATOM 0 H TYR A 18 -0.790 -5.256 0.393 1.00 0.00 H new ATOM 0 HA TYR A 18 1.091 -6.007 2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.851 -7.365 1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.135 -7.582 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.450 -9.323 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.401 -8.299 3.688 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.656 -11.296 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.606 -10.273 4.509 1.00 0.00 H new ATOM 0 HH TYR A 18 2.812 -12.043 3.997 1.00 0.00 H new ATOM 297 N HIS A 19 2.127 -6.024 -0.770 1.00 0.00 N ATOM 298 CA HIS A 19 3.306 -6.079 -1.627 1.00 0.00 C ATOM 299 C HIS A 19 4.292 -4.963 -1.296 1.00 0.00 C ATOM 300 O HIS A 19 5.473 -5.227 -1.081 1.00 0.00 O ATOM 301 CB HIS A 19 2.912 -6.002 -3.102 1.00 0.00 C ATOM 302 CG HIS A 19 2.413 -7.300 -3.664 1.00 0.00 C ATOM 303 ND1 HIS A 19 1.345 -8.061 -3.328 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 3.030 -7.953 -4.709 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 1.337 -9.145 -4.167 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 2.363 -9.055 -4.990 1.00 0.00 N flip ATOM 0 H HIS A 19 1.257 -5.832 -1.266 1.00 0.00 H new ATOM 0 HA HIS A 19 3.795 -7.035 -1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.139 -5.243 -3.223 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.774 -5.673 -3.682 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.671 -7.864 -2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.920 -7.615 -5.218 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.609 -9.943 -4.156 1.00 0.00 H new ATOM 315 N LEU A 20 3.805 -3.724 -1.260 1.00 0.00 N ATOM 316 CA LEU A 20 4.642 -2.570 -0.934 1.00 0.00 C ATOM 317 C LEU A 20 5.287 -2.762 0.420 1.00 0.00 C ATOM 318 O LEU A 20 6.501 -2.677 0.555 1.00 0.00 O ATOM 319 CB LEU A 20 3.819 -1.279 -0.891 1.00 0.00 C ATOM 320 CG LEU A 20 2.956 -0.997 -2.106 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.414 0.418 -2.071 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.713 -1.256 -3.401 1.00 0.00 C ATOM 0 H LEU A 20 2.831 -3.493 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 20 5.401 -2.489 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.174 -1.312 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.502 -0.441 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 20 2.111 -1.685 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.799 0.594 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.810 0.554 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.243 1.125 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.064 -1.044 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.591 -0.611 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.027 -2.299 -3.436 1.00 0.00 H new ATOM 334 N GLU A 21 4.453 -3.031 1.414 1.00 0.00 N ATOM 335 CA GLU A 21 4.910 -3.191 2.794 1.00 0.00 C ATOM 336 C GLU A 21 6.011 -4.247 2.891 1.00 0.00 C ATOM 337 O GLU A 21 7.019 -4.040 3.568 1.00 0.00 O ATOM 338 CB GLU A 21 3.737 -3.568 3.702 1.00 0.00 C ATOM 339 CG GLU A 21 3.747 -2.860 5.051 1.00 0.00 C ATOM 340 CD GLU A 21 4.961 -3.204 5.896 1.00 0.00 C ATOM 341 OE1 GLU A 21 4.938 -4.259 6.563 1.00 0.00 O ATOM 342 OE2 GLU A 21 5.933 -2.421 5.889 1.00 0.00 O ATOM 0 H GLU A 21 3.447 -3.145 1.292 1.00 0.00 H new ATOM 0 HA GLU A 21 5.323 -2.238 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.804 -3.337 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.751 -4.645 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.718 -1.782 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.843 -3.124 5.600 1.00 0.00 H new ATOM 349 N ASN A 22 5.816 -5.372 2.214 1.00 0.00 N ATOM 350 CA ASN A 22 6.816 -6.433 2.197 1.00 0.00 C ATOM 351 C ASN A 22 8.038 -6.015 1.392 1.00 0.00 C ATOM 352 O ASN A 22 9.167 -6.352 1.740 1.00 0.00 O ATOM 353 CB ASN A 22 6.229 -7.727 1.626 1.00 0.00 C ATOM 354 CG ASN A 22 5.383 -8.481 2.636 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.804 -7.891 3.549 1.00 0.00 O ATOM 356 ND2 ASN A 22 5.306 -9.792 2.481 1.00 0.00 N ATOM 0 H ASN A 22 4.977 -5.573 1.671 1.00 0.00 H new ATOM 0 HA ASN A 22 7.124 -6.615 3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.621 -7.491 0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.040 -8.370 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.752 -10.351 3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.800 -10.245 1.712 1.00 0.00 H new ATOM 363 N GLU A 23 7.807 -5.263 0.323 1.00 0.00 N ATOM 364 CA GLU A 23 8.892 -4.795 -0.531 1.00 0.00 C ATOM 365 C GLU A 23 9.749 -3.775 0.216 1.00 0.00 C ATOM 366 O GLU A 23 10.972 -3.757 0.075 1.00 0.00 O ATOM 367 CB GLU A 23 8.319 -4.195 -1.818 1.00 0.00 C ATOM 368 CG GLU A 23 9.361 -3.870 -2.874 1.00 0.00 C ATOM 369 CD GLU A 23 8.731 -3.504 -4.206 1.00 0.00 C ATOM 370 OE1 GLU A 23 8.782 -4.334 -5.135 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.174 -2.393 -4.313 1.00 0.00 O ATOM 0 H GLU A 23 6.878 -4.964 0.027 1.00 0.00 H new ATOM 0 HA GLU A 23 9.528 -5.638 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.596 -4.893 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.774 -3.284 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.981 -3.043 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.020 -4.728 -3.009 1.00 0.00 H new ATOM 378 N VAL A 24 9.094 -2.939 1.018 1.00 0.00 N ATOM 379 CA VAL A 24 9.786 -1.975 1.866 1.00 0.00 C ATOM 380 C VAL A 24 10.729 -2.693 2.822 1.00 0.00 C ATOM 381 O VAL A 24 11.903 -2.347 2.926 1.00 0.00 O ATOM 382 CB VAL A 24 8.802 -1.120 2.702 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.558 -0.209 3.651 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.891 -0.296 1.811 1.00 0.00 C ATOM 0 H VAL A 24 8.077 -2.911 1.098 1.00 0.00 H new ATOM 0 HA VAL A 24 10.343 -1.316 1.200 1.00 0.00 H new ATOM 0 HB VAL A 24 8.184 -1.805 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.849 0.383 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.164 -0.811 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.205 0.456 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.213 0.292 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.492 0.372 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.313 -0.960 1.169 1.00 0.00 H new ATOM 394 N ALA A 25 10.204 -3.708 3.503 1.00 0.00 N ATOM 395 CA ALA A 25 10.971 -4.464 4.486 1.00 0.00 C ATOM 396 C ALA A 25 12.215 -5.086 3.860 1.00 0.00 C ATOM 397 O ALA A 25 13.279 -5.133 4.483 1.00 0.00 O ATOM 398 CB ALA A 25 10.099 -5.543 5.114 1.00 0.00 C ATOM 0 H ALA A 25 9.242 -4.027 3.390 1.00 0.00 H new ATOM 0 HA ALA A 25 11.298 -3.773 5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.682 -6.101 5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.245 -5.079 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.745 -6.222 4.338 1.00 0.00 H new ATOM 404 N ARG A 26 12.073 -5.554 2.628 1.00 0.00 N ATOM 405 CA ARG A 26 13.184 -6.148 1.896 1.00 0.00 C ATOM 406 C ARG A 26 14.256 -5.103 1.609 1.00 0.00 C ATOM 407 O ARG A 26 15.425 -5.288 1.947 1.00 0.00 O ATOM 408 CB ARG A 26 12.685 -6.763 0.589 1.00 0.00 C ATOM 409 CG ARG A 26 11.721 -7.918 0.796 1.00 0.00 C ATOM 410 CD ARG A 26 11.125 -8.392 -0.518 1.00 0.00 C ATOM 411 NE ARG A 26 12.145 -8.864 -1.450 1.00 0.00 N ATOM 412 CZ ARG A 26 11.883 -9.311 -2.677 1.00 0.00 C ATOM 413 NH1 ARG A 26 10.632 -9.339 -3.124 1.00 0.00 N ATOM 414 NH2 ARG A 26 12.871 -9.725 -3.457 1.00 0.00 N ATOM 0 H ARG A 26 11.194 -5.534 2.111 1.00 0.00 H new ATOM 0 HA ARG A 26 13.623 -6.934 2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.194 -5.991 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.540 -7.112 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.242 -8.745 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.921 -7.609 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.414 -9.195 -0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.566 -7.576 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 26 13.118 -8.851 -1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.870 -9.018 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.434 -9.682 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.833 -9.701 -3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.670 -10.067 -4.397 1.00 0.00 H new ATOM 428 N LEU A 27 13.848 -3.997 1.004 1.00 0.00 N ATOM 429 CA LEU A 27 14.774 -2.918 0.681 1.00 0.00 C ATOM 430 C LEU A 27 15.403 -2.357 1.950 1.00 0.00 C ATOM 431 O LEU A 27 16.607 -2.100 2.001 1.00 0.00 O ATOM 432 CB LEU A 27 14.060 -1.787 -0.063 1.00 0.00 C ATOM 433 CG LEU A 27 13.854 -1.957 -1.577 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.556 -3.396 -1.965 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.726 -1.056 -2.038 1.00 0.00 C ATOM 0 H LEU A 27 12.882 -3.822 0.726 1.00 0.00 H new ATOM 0 HA LEU A 27 15.551 -3.333 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.082 -1.646 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.624 -0.868 0.099 1.00 0.00 H new ATOM 0 HG LEU A 27 14.786 -1.678 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.419 -3.461 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.388 -4.033 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.647 -3.727 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.580 -1.176 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.809 -1.325 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.977 -0.018 -1.820 1.00 0.00 H new ATOM 447 N LYS A 28 14.583 -2.188 2.981 1.00 0.00 N ATOM 448 CA LYS A 28 15.041 -1.619 4.240 1.00 0.00 C ATOM 449 C LYS A 28 15.957 -2.598 4.973 1.00 0.00 C ATOM 450 O LYS A 28 16.607 -2.238 5.949 1.00 0.00 O ATOM 451 CB LYS A 28 13.852 -1.252 5.133 1.00 0.00 C ATOM 452 CG LYS A 28 14.209 -0.274 6.244 1.00 0.00 C ATOM 453 CD LYS A 28 14.637 1.071 5.676 1.00 0.00 C ATOM 454 CE LYS A 28 15.088 2.032 6.759 1.00 0.00 C ATOM 455 NZ LYS A 28 14.029 2.275 7.773 1.00 0.00 N ATOM 0 H LYS A 28 13.594 -2.438 2.968 1.00 0.00 H new ATOM 0 HA LYS A 28 15.603 -0.713 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.064 -0.818 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.446 -2.161 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.351 -0.137 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.014 -0.688 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.449 0.921 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.807 1.512 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.974 1.632 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.377 2.979 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.323 3.048 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.143 2.536 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.878 1.411 8.332 1.00 0.00 H new ATOM 469 N LYS A 29 15.993 -3.837 4.509 1.00 0.00 N ATOM 470 CA LYS A 29 16.906 -4.829 5.057 1.00 0.00 C ATOM 471 C LYS A 29 18.303 -4.592 4.493 1.00 0.00 C ATOM 472 O LYS A 29 19.311 -4.772 5.179 1.00 0.00 O ATOM 473 CB LYS A 29 16.421 -6.242 4.711 1.00 0.00 C ATOM 474 CG LYS A 29 17.178 -7.354 5.422 1.00 0.00 C ATOM 475 CD LYS A 29 16.943 -7.331 6.928 1.00 0.00 C ATOM 476 CE LYS A 29 15.482 -7.586 7.283 1.00 0.00 C ATOM 477 NZ LYS A 29 15.022 -8.927 6.831 1.00 0.00 N ATOM 0 H LYS A 29 15.400 -4.181 3.753 1.00 0.00 H new ATOM 0 HA LYS A 29 16.937 -4.735 6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.363 -6.322 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.507 -6.390 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.867 -8.319 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.244 -7.254 5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.569 -8.086 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.250 -6.365 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.352 -7.503 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.859 -6.817 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.093 -9.135 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.944 -8.936 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.707 -9.649 7.133 1.00 0.00 H new ATOM 491 N LEU A 30 18.342 -4.156 3.240 1.00 0.00 N ATOM 492 CA LEU A 30 19.597 -3.851 2.564 1.00 0.00 C ATOM 493 C LEU A 30 20.093 -2.467 2.966 1.00 0.00 C ATOM 494 O LEU A 30 21.295 -2.238 3.098 1.00 0.00 O ATOM 495 CB LEU A 30 19.437 -3.935 1.040 1.00 0.00 C ATOM 496 CG LEU A 30 19.444 -5.351 0.449 1.00 0.00 C ATOM 497 CD1 LEU A 30 18.218 -6.143 0.875 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.535 -5.293 -1.066 1.00 0.00 C ATOM 0 H LEU A 30 17.512 -4.005 2.667 1.00 0.00 H new ATOM 0 HA LEU A 30 20.334 -4.593 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.501 -3.450 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 30 20.241 -3.363 0.576 1.00 0.00 H new ATOM 0 HG LEU A 30 20.323 -5.866 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.259 -7.140 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.197 -6.225 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.318 -5.633 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.539 -6.306 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.678 -4.748 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.454 -4.783 -1.356 1.00 0.00 H new ATOM 510 N VAL A 31 19.160 -1.544 3.154 1.00 0.00 N ATOM 511 CA VAL A 31 19.485 -0.221 3.675 1.00 0.00 C ATOM 512 C VAL A 31 19.700 -0.309 5.186 1.00 0.00 C ATOM 513 O VAL A 31 20.277 0.582 5.811 1.00 0.00 O ATOM 514 CB VAL A 31 18.360 0.799 3.369 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.736 2.198 3.836 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.033 0.810 1.885 1.00 0.00 C ATOM 0 H VAL A 31 18.170 -1.686 2.954 1.00 0.00 H new ATOM 0 HA VAL A 31 20.396 0.124 3.186 1.00 0.00 H new ATOM 0 HB VAL A 31 17.474 0.486 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.925 2.889 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.910 2.188 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.643 2.521 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.241 1.533 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.922 1.087 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.701 -0.182 1.578 1.00 0.00 H new ATOM 526 N GLY A 32 19.240 -1.413 5.755 1.00 0.00 N ATOM 527 CA GLY A 32 19.299 -1.609 7.187 1.00 0.00 C ATOM 528 C GLY A 32 20.625 -2.173 7.648 1.00 0.00 C ATOM 529 O GLY A 32 21.407 -1.474 8.296 1.00 0.00 O ATOM 0 H GLY A 32 18.821 -2.187 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.121 -0.657 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.498 -2.283 7.490 1.00 0.00 H new ATOM 533 N GLU A 33 20.872 -3.436 7.302 1.00 0.00 N ATOM 534 CA GLU A 33 22.097 -4.136 7.679 1.00 0.00 C ATOM 535 C GLU A 33 22.221 -4.223 9.201 1.00 0.00 C ATOM 536 O GLU A 33 22.955 -3.413 9.803 1.00 0.00 O ATOM 537 CB GLU A 33 23.324 -3.447 7.069 1.00 0.00 C ATOM 538 CG GLU A 33 24.616 -4.235 7.222 1.00 0.00 C ATOM 539 CD GLU A 33 24.577 -5.576 6.511 1.00 0.00 C ATOM 540 OE1 GLU A 33 24.856 -5.612 5.296 1.00 0.00 O ATOM 541 OE2 GLU A 33 24.269 -6.588 7.172 1.00 0.00 O ATOM 542 OXT GLU A 33 21.565 -5.103 9.794 1.00 0.00 O ATOM 0 H GLU A 33 20.227 -4.002 6.752 1.00 0.00 H new ATOM 0 HA GLU A 33 22.048 -5.151 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 33 23.140 -3.273 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 33 23.449 -2.470 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 33 25.444 -3.645 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 33 24.814 -4.397 8.282 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -26.016 5.584 3.838 1.00 0.00 N ATOM 551 CA GLY B 1 -24.833 5.962 3.032 1.00 0.00 C ATOM 552 C GLY B 1 -23.668 5.025 3.262 1.00 0.00 C ATOM 553 O GLY B 1 -23.080 5.011 4.341 1.00 0.00 O ATOM 0 H1 GLY B 1 -26.791 6.251 3.651 1.00 0.00 H new ATOM 0 H2 GLY B 1 -26.318 4.622 3.582 1.00 0.00 H new ATOM 0 H3 GLY B 1 -25.771 5.613 4.848 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.098 5.958 1.975 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.534 6.980 3.282 1.00 0.00 H new ATOM 559 N SER B 2 -23.342 4.230 2.258 1.00 0.00 N ATOM 560 CA SER B 2 -22.242 3.286 2.365 1.00 0.00 C ATOM 561 C SER B 2 -21.102 3.653 1.422 1.00 0.00 C ATOM 562 O SER B 2 -19.937 3.427 1.738 1.00 0.00 O ATOM 563 CB SER B 2 -22.738 1.871 2.064 1.00 0.00 C ATOM 564 OG SER B 2 -23.623 1.874 0.957 1.00 0.00 O ATOM 0 H SER B 2 -23.823 4.219 1.359 1.00 0.00 H new ATOM 0 HA SER B 2 -21.860 3.326 3.385 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.889 1.220 1.855 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.244 1.464 2.939 1.00 0.00 H new ATOM 0 HG SER B 2 -23.928 0.960 0.779 1.00 0.00 H new ATOM 570 N MET B 3 -21.444 4.241 0.281 1.00 0.00 N ATOM 571 CA MET B 3 -20.464 4.520 -0.766 1.00 0.00 C ATOM 572 C MET B 3 -19.278 5.324 -0.240 1.00 0.00 C ATOM 573 O MET B 3 -18.137 4.893 -0.360 1.00 0.00 O ATOM 574 CB MET B 3 -21.117 5.260 -1.935 1.00 0.00 C ATOM 575 CG MET B 3 -22.137 4.426 -2.693 1.00 0.00 C ATOM 576 SD MET B 3 -21.439 2.903 -3.366 1.00 0.00 S ATOM 577 CE MET B 3 -20.197 3.554 -4.483 1.00 0.00 C ATOM 0 H MET B 3 -22.394 4.535 0.056 1.00 0.00 H new ATOM 0 HA MET B 3 -20.088 3.558 -1.115 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.604 6.159 -1.558 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.340 5.585 -2.627 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.963 4.178 -2.027 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.552 5.020 -3.507 1.00 0.00 H new ATOM 0 HE1 MET B 3 -19.869 2.766 -5.161 1.00 0.00 H new ATOM 0 HE2 MET B 3 -20.621 4.376 -5.060 1.00 0.00 H new ATOM 0 HE3 MET B 3 -19.345 3.916 -3.908 1.00 0.00 H new ATOM 587 N LYS B 4 -19.553 6.464 0.378 1.00 0.00 N ATOM 588 CA LYS B 4 -18.493 7.358 0.846 1.00 0.00 C ATOM 589 C LYS B 4 -17.763 6.778 2.056 1.00 0.00 C ATOM 590 O LYS B 4 -16.701 7.258 2.437 1.00 0.00 O ATOM 591 CB LYS B 4 -19.056 8.742 1.197 1.00 0.00 C ATOM 592 CG LYS B 4 -19.302 9.651 -0.003 1.00 0.00 C ATOM 593 CD LYS B 4 -20.445 9.163 -0.881 1.00 0.00 C ATOM 594 CE LYS B 4 -20.695 10.108 -2.049 1.00 0.00 C ATOM 595 NZ LYS B 4 -19.521 10.198 -2.956 1.00 0.00 N ATOM 0 H LYS B 4 -20.499 6.795 0.569 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.779 7.461 0.029 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -19.994 8.612 1.736 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.364 9.239 1.877 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.523 10.659 0.348 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -18.392 9.714 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -20.214 8.167 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -21.352 9.074 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -21.563 9.765 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -20.935 11.100 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -19.793 10.697 -3.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -18.756 10.719 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -19.192 9.241 -3.194 1.00 0.00 H new ATOM 609 N GLN B 5 -18.315 5.722 2.627 1.00 0.00 N ATOM 610 CA GLN B 5 -17.765 5.116 3.831 1.00 0.00 C ATOM 611 C GLN B 5 -16.877 3.950 3.444 1.00 0.00 C ATOM 612 O GLN B 5 -15.821 3.724 4.035 1.00 0.00 O ATOM 613 CB GLN B 5 -18.884 4.636 4.759 1.00 0.00 C ATOM 614 CG GLN B 5 -19.854 5.731 5.183 1.00 0.00 C ATOM 615 CD GLN B 5 -19.217 6.803 6.052 1.00 0.00 C ATOM 616 OE1 GLN B 5 -18.033 7.114 5.923 1.00 0.00 O ATOM 617 NE2 GLN B 5 -20.003 7.374 6.949 1.00 0.00 N ATOM 0 H GLN B 5 -19.153 5.261 2.273 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.178 5.864 4.365 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.442 3.845 4.258 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.438 4.196 5.651 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -20.273 6.199 4.292 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.684 5.280 5.727 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -20.979 7.090 7.026 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -19.633 8.099 7.564 1.00 0.00 H new ATOM 626 N LEU B 6 -17.323 3.207 2.443 1.00 0.00 N ATOM 627 CA LEU B 6 -16.515 2.159 1.853 1.00 0.00 C ATOM 628 C LEU B 6 -15.361 2.792 1.093 1.00 0.00 C ATOM 629 O LEU B 6 -14.214 2.373 1.231 1.00 0.00 O ATOM 630 CB LEU B 6 -17.351 1.279 0.913 1.00 0.00 C ATOM 631 CG LEU B 6 -18.143 0.120 1.555 1.00 0.00 C ATOM 632 CD1 LEU B 6 -17.208 -0.965 2.072 1.00 0.00 C ATOM 633 CD2 LEU B 6 -19.041 0.615 2.680 1.00 0.00 C ATOM 0 H LEU B 6 -18.246 3.314 2.022 1.00 0.00 H new ATOM 0 HA LEU B 6 -16.129 1.521 2.647 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.058 1.921 0.387 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.684 0.857 0.161 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.774 -0.307 0.776 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.794 -1.768 2.519 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.619 -1.362 1.245 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.540 -0.542 2.823 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.584 -0.227 3.110 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.432 1.086 3.452 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.751 1.341 2.286 1.00 0.00 H new ATOM 645 N GLU B 7 -15.671 3.829 0.313 1.00 0.00 N ATOM 646 CA GLU B 7 -14.648 4.576 -0.412 1.00 0.00 C ATOM 647 C GLU B 7 -13.657 5.219 0.551 1.00 0.00 C ATOM 648 O GLU B 7 -12.479 5.362 0.225 1.00 0.00 O ATOM 649 CB GLU B 7 -15.279 5.646 -1.306 1.00 0.00 C ATOM 650 CG GLU B 7 -16.016 5.083 -2.513 1.00 0.00 C ATOM 651 CD GLU B 7 -15.086 4.493 -3.557 1.00 0.00 C ATOM 652 OE1 GLU B 7 -14.794 5.193 -4.550 1.00 0.00 O ATOM 653 OE2 GLU B 7 -14.654 3.334 -3.386 1.00 0.00 O ATOM 0 H GLU B 7 -16.622 4.169 0.169 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.111 3.869 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.974 6.239 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.498 6.323 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -16.713 4.314 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.610 5.874 -2.970 1.00 0.00 H new ATOM 660 N ASP B 8 -14.128 5.605 1.740 1.00 0.00 N ATOM 661 CA ASP B 8 -13.223 6.144 2.758 1.00 0.00 C ATOM 662 C ASP B 8 -12.164 5.117 3.135 1.00 0.00 C ATOM 663 O ASP B 8 -10.994 5.455 3.315 1.00 0.00 O ATOM 664 CB ASP B 8 -13.973 6.581 4.017 1.00 0.00 C ATOM 665 CG ASP B 8 -14.323 8.056 4.011 1.00 0.00 C ATOM 666 OD1 ASP B 8 -15.377 8.416 4.573 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.542 8.849 3.444 1.00 0.00 O ATOM 0 H ASP B 8 -15.108 5.556 2.018 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.745 7.021 2.322 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.888 5.996 4.111 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.362 6.361 4.893 1.00 0.00 H new ATOM 672 N LYS B 9 -12.580 3.860 3.233 1.00 0.00 N ATOM 673 CA LYS B 9 -11.677 2.777 3.603 1.00 0.00 C ATOM 674 C LYS B 9 -10.723 2.446 2.461 1.00 0.00 C ATOM 675 O LYS B 9 -9.542 2.177 2.688 1.00 0.00 O ATOM 676 CB LYS B 9 -12.479 1.536 4.005 1.00 0.00 C ATOM 677 CG LYS B 9 -13.370 1.760 5.216 1.00 0.00 C ATOM 678 CD LYS B 9 -14.267 0.566 5.490 1.00 0.00 C ATOM 679 CE LYS B 9 -15.098 0.777 6.747 1.00 0.00 C ATOM 680 NZ LYS B 9 -15.967 1.981 6.649 1.00 0.00 N ATOM 0 H LYS B 9 -13.541 3.565 3.061 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.082 3.105 4.455 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.095 1.222 3.163 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.789 0.719 4.217 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -12.750 1.956 6.091 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.984 2.646 5.055 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -14.927 0.401 4.638 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -13.658 -0.331 5.600 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -15.717 -0.103 6.924 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -14.435 0.878 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -16.934 1.737 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -15.594 2.729 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -15.981 2.320 5.666 1.00 0.00 H new ATOM 694 N VAL B 10 -11.234 2.479 1.234 1.00 0.00 N ATOM 695 CA VAL B 10 -10.407 2.219 0.061 1.00 0.00 C ATOM 696 C VAL B 10 -9.296 3.265 -0.036 1.00 0.00 C ATOM 697 O VAL B 10 -8.119 2.930 -0.158 1.00 0.00 O ATOM 698 CB VAL B 10 -11.222 2.237 -1.255 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.413 1.635 -2.387 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.542 1.501 -1.118 1.00 0.00 C ATOM 0 H VAL B 10 -12.212 2.682 1.027 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.988 1.221 0.186 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.444 3.280 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.000 1.655 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.499 2.212 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.157 0.604 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.080 1.539 -2.065 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.353 0.462 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.143 1.973 -0.340 1.00 0.00 H new ATOM 710 N GLU B 11 -9.681 4.536 0.060 1.00 0.00 N ATOM 711 CA GLU B 11 -8.726 5.642 -0.033 1.00 0.00 C ATOM 712 C GLU B 11 -7.808 5.683 1.189 1.00 0.00 C ATOM 713 O GLU B 11 -6.728 6.272 1.148 1.00 0.00 O ATOM 714 CB GLU B 11 -9.463 6.974 -0.158 1.00 0.00 C ATOM 715 CG GLU B 11 -10.308 7.091 -1.413 1.00 0.00 C ATOM 716 CD GLU B 11 -11.075 8.397 -1.475 1.00 0.00 C ATOM 717 OE1 GLU B 11 -12.256 8.409 -1.068 1.00 0.00 O ATOM 718 OE2 GLU B 11 -10.495 9.406 -1.925 1.00 0.00 O ATOM 0 H GLU B 11 -10.648 4.827 0.202 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.117 5.479 -0.922 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.104 7.107 0.714 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -8.734 7.784 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -9.665 7.009 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -11.010 6.258 -1.454 1.00 0.00 H new ATOM 725 N GLU B 12 -8.248 5.063 2.273 1.00 0.00 N ATOM 726 CA GLU B 12 -7.446 4.966 3.482 1.00 0.00 C ATOM 727 C GLU B 12 -6.246 4.073 3.218 1.00 0.00 C ATOM 728 O GLU B 12 -5.104 4.432 3.512 1.00 0.00 O ATOM 729 CB GLU B 12 -8.291 4.408 4.630 1.00 0.00 C ATOM 730 CG GLU B 12 -7.533 4.239 5.934 1.00 0.00 C ATOM 731 CD GLU B 12 -8.418 3.721 7.051 1.00 0.00 C ATOM 732 OE1 GLU B 12 -8.726 4.501 7.975 1.00 0.00 O ATOM 733 OE2 GLU B 12 -8.814 2.538 6.992 1.00 0.00 O ATOM 0 H GLU B 12 -9.163 4.617 2.340 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.095 5.958 3.768 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.139 5.072 4.799 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.698 3.442 4.331 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -6.702 3.550 5.782 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.103 5.196 6.228 1.00 0.00 H new ATOM 740 N LEU B 13 -6.514 2.915 2.630 1.00 0.00 N ATOM 741 CA LEU B 13 -5.454 2.012 2.226 1.00 0.00 C ATOM 742 C LEU B 13 -4.677 2.611 1.065 1.00 0.00 C ATOM 743 O LEU B 13 -3.493 2.341 0.896 1.00 0.00 O ATOM 744 CB LEU B 13 -6.022 0.646 1.840 1.00 0.00 C ATOM 745 CG LEU B 13 -6.704 -0.121 2.976 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.125 -1.498 2.501 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.785 -0.238 4.183 1.00 0.00 C ATOM 0 H LEU B 13 -7.456 2.582 2.424 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.778 1.871 3.069 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.742 0.784 1.033 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.213 0.033 1.444 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.591 0.436 3.277 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.609 -2.033 3.318 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.823 -1.398 1.669 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.247 -2.054 2.173 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.293 -0.787 4.976 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.877 -0.769 3.899 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.526 0.758 4.541 1.00 0.00 H new ATOM 759 N LEU B 14 -5.360 3.429 0.274 1.00 0.00 N ATOM 760 CA LEU B 14 -4.739 4.160 -0.825 1.00 0.00 C ATOM 761 C LEU B 14 -3.675 5.117 -0.296 1.00 0.00 C ATOM 762 O LEU B 14 -2.660 5.369 -0.946 1.00 0.00 O ATOM 763 CB LEU B 14 -5.807 4.958 -1.574 1.00 0.00 C ATOM 764 CG LEU B 14 -5.371 5.561 -2.913 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.218 4.480 -3.968 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.370 6.613 -3.370 1.00 0.00 C ATOM 0 H LEU B 14 -6.360 3.605 0.376 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.268 3.445 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.663 4.307 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.150 5.766 -0.928 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.401 6.039 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.908 4.932 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.465 3.761 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.171 3.970 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.047 7.032 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.352 6.155 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.429 7.407 -2.625 1.00 0.00 H new ATOM 778 N SER B 15 -3.922 5.636 0.899 1.00 0.00 N ATOM 779 CA SER B 15 -3.036 6.600 1.521 1.00 0.00 C ATOM 780 C SER B 15 -1.745 5.927 1.961 1.00 0.00 C ATOM 781 O SER B 15 -0.653 6.397 1.646 1.00 0.00 O ATOM 782 CB SER B 15 -3.727 7.268 2.714 1.00 0.00 C ATOM 783 OG SER B 15 -2.910 8.279 3.280 1.00 0.00 O ATOM 0 H SER B 15 -4.740 5.399 1.460 1.00 0.00 H new ATOM 0 HA SER B 15 -2.791 7.370 0.789 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.675 7.700 2.393 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.958 6.518 3.470 1.00 0.00 H new ATOM 0 HG SER B 15 -3.376 8.690 4.038 1.00 0.00 H new ATOM 789 N LYS B 16 -1.863 4.817 2.680 1.00 0.00 N ATOM 790 CA LYS B 16 -0.678 4.071 3.078 1.00 0.00 C ATOM 791 C LYS B 16 -0.017 3.441 1.861 1.00 0.00 C ATOM 792 O LYS B 16 1.196 3.302 1.828 1.00 0.00 O ATOM 793 CB LYS B 16 -0.980 3.013 4.143 1.00 0.00 C ATOM 794 CG LYS B 16 -2.019 1.978 3.743 1.00 0.00 C ATOM 795 CD LYS B 16 -2.297 0.985 4.865 1.00 0.00 C ATOM 796 CE LYS B 16 -1.240 -0.111 4.963 1.00 0.00 C ATOM 797 NZ LYS B 16 0.076 0.390 5.444 1.00 0.00 N ATOM 0 H LYS B 16 -2.749 4.420 2.994 1.00 0.00 H new ATOM 0 HA LYS B 16 0.014 4.781 3.531 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.053 2.497 4.394 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.320 3.517 5.048 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.945 2.482 3.467 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.674 1.440 2.860 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.347 1.520 5.813 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -3.274 0.528 4.705 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.594 -0.890 5.638 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.111 -0.572 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.560 -0.361 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.660 0.669 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.071 1.213 6.063 1.00 0.00 H new ATOM 811 N ASN B 17 -0.819 3.082 0.860 1.00 0.00 N ATOM 812 CA ASN B 17 -0.288 2.645 -0.430 1.00 0.00 C ATOM 813 C ASN B 17 0.610 3.724 -1.005 1.00 0.00 C ATOM 814 O ASN B 17 1.679 3.437 -1.534 1.00 0.00 O ATOM 815 CB ASN B 17 -1.420 2.346 -1.413 1.00 0.00 C ATOM 816 CG ASN B 17 -1.686 0.865 -1.562 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.768 0.050 -1.539 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.947 0.503 -1.712 1.00 0.00 N ATOM 0 H ASN B 17 -1.837 3.085 0.917 1.00 0.00 H new ATOM 0 HA ASN B 17 0.286 1.732 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.330 2.842 -1.075 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.170 2.766 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.186 -0.483 -1.814 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.682 1.210 -1.726 1.00 0.00 H new ATOM 825 N TYR B 18 0.172 4.973 -0.880 1.00 0.00 N ATOM 826 CA TYR B 18 0.984 6.099 -1.320 1.00 0.00 C ATOM 827 C TYR B 18 2.275 6.164 -0.507 1.00 0.00 C ATOM 828 O TYR B 18 3.361 6.350 -1.055 1.00 0.00 O ATOM 829 CB TYR B 18 0.204 7.410 -1.183 1.00 0.00 C ATOM 830 CG TYR B 18 0.970 8.625 -1.656 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.579 9.489 -0.752 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.091 8.902 -3.009 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.284 10.595 -1.189 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.793 10.005 -3.451 1.00 0.00 C ATOM 835 CZ TYR B 18 2.388 10.847 -2.539 1.00 0.00 C ATOM 836 OH TYR B 18 3.093 11.943 -2.982 1.00 0.00 O ATOM 0 H TYR B 18 -0.732 5.228 -0.482 1.00 0.00 H new ATOM 0 HA TYR B 18 1.236 5.956 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.723 7.332 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.073 7.550 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.500 9.293 0.307 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.628 8.244 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.751 11.258 -0.476 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.875 10.207 -4.509 1.00 0.00 H new ATOM 0 HH TYR B 18 3.069 11.973 -3.961 1.00 0.00 H new ATOM 846 N HIS B 19 2.144 5.986 0.803 1.00 0.00 N ATOM 847 CA HIS B 19 3.291 6.038 1.707 1.00 0.00 C ATOM 848 C HIS B 19 4.279 4.912 1.421 1.00 0.00 C ATOM 849 O HIS B 19 5.468 5.166 1.247 1.00 0.00 O ATOM 850 CB HIS B 19 2.837 5.975 3.167 1.00 0.00 C ATOM 851 CG HIS B 19 2.323 7.277 3.700 1.00 0.00 C ATOM 852 ND1 HIS B 19 1.268 8.038 3.325 1.00 0.00 N flip ATOM 853 CD2 HIS B 19 2.906 7.933 4.761 1.00 0.00 C flip ATOM 854 CE1 HIS B 19 1.236 9.125 4.158 1.00 0.00 C flip ATOM 855 NE2 HIS B 19 2.233 9.039 5.015 1.00 0.00 N flip ATOM 0 H HIS B 19 1.253 5.804 1.265 1.00 0.00 H new ATOM 0 HA HIS B 19 3.797 6.988 1.535 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.056 5.221 3.262 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.674 5.646 3.783 1.00 0.00 H new ATOM 0 HD1 HIS B 19 0.618 7.839 2.564 1.00 0.00 H new ATOM 0 HD2 HIS B 19 3.778 7.595 5.301 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.510 9.924 4.119 1.00 0.00 H new ATOM 864 N LEU B 20 3.783 3.679 1.377 1.00 0.00 N ATOM 865 CA LEU B 20 4.624 2.515 1.093 1.00 0.00 C ATOM 866 C LEU B 20 5.326 2.694 -0.233 1.00 0.00 C ATOM 867 O LEU B 20 6.542 2.598 -0.317 1.00 0.00 O ATOM 868 CB LEU B 20 3.793 1.231 1.022 1.00 0.00 C ATOM 869 CG LEU B 20 2.878 0.962 2.201 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.329 -0.450 2.155 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.580 1.227 3.523 1.00 0.00 C ATOM 0 H LEU B 20 2.800 3.457 1.535 1.00 0.00 H new ATOM 0 HA LEU B 20 5.348 2.432 1.903 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.186 1.265 0.117 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.474 0.387 0.917 1.00 0.00 H new ATOM 0 HG LEU B 20 2.039 1.654 2.127 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.676 -0.615 3.012 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.762 -0.590 1.235 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.154 -1.162 2.185 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.895 1.024 4.346 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.452 0.578 3.608 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.898 2.269 3.564 1.00 0.00 H new ATOM 883 N GLU B 21 4.535 2.962 -1.261 1.00 0.00 N ATOM 884 CA GLU B 21 5.050 3.110 -2.621 1.00 0.00 C ATOM 885 C GLU B 21 6.162 4.157 -2.677 1.00 0.00 C ATOM 886 O GLU B 21 7.197 3.940 -3.309 1.00 0.00 O ATOM 887 CB GLU B 21 3.921 3.492 -3.582 1.00 0.00 C ATOM 888 CG GLU B 21 3.986 2.781 -4.926 1.00 0.00 C ATOM 889 CD GLU B 21 5.236 3.117 -5.717 1.00 0.00 C ATOM 890 OE1 GLU B 21 5.236 4.151 -6.415 1.00 0.00 O ATOM 891 OE2 GLU B 21 6.214 2.345 -5.636 1.00 0.00 O ATOM 0 H GLU B 21 3.525 3.083 -1.181 1.00 0.00 H new ATOM 0 HA GLU B 21 5.467 2.151 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.964 3.268 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.949 4.569 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.945 1.704 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.108 3.048 -5.514 1.00 0.00 H new ATOM 898 N ASN B 22 5.946 5.286 -2.014 1.00 0.00 N ATOM 899 CA ASN B 22 6.949 6.343 -1.964 1.00 0.00 C ATOM 900 C ASN B 22 8.137 5.924 -1.108 1.00 0.00 C ATOM 901 O ASN B 22 9.283 6.259 -1.413 1.00 0.00 O ATOM 902 CB ASN B 22 6.347 7.645 -1.424 1.00 0.00 C ATOM 903 CG ASN B 22 5.547 8.399 -2.472 1.00 0.00 C ATOM 904 OD1 ASN B 22 4.995 7.807 -3.404 1.00 0.00 O ATOM 905 ND2 ASN B 22 5.484 9.713 -2.334 1.00 0.00 N ATOM 0 H ASN B 22 5.087 5.493 -1.504 1.00 0.00 H new ATOM 0 HA ASN B 22 7.297 6.517 -2.982 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.703 7.418 -0.575 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.148 8.285 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.966 10.273 -3.011 1.00 0.00 H new ATOM 0 HD22 ASN B 22 5.953 10.167 -1.550 1.00 0.00 H new ATOM 912 N GLU B 23 7.860 5.180 -0.046 1.00 0.00 N ATOM 913 CA GLU B 23 8.903 4.711 0.855 1.00 0.00 C ATOM 914 C GLU B 23 9.784 3.679 0.150 1.00 0.00 C ATOM 915 O GLU B 23 11.000 3.655 0.340 1.00 0.00 O ATOM 916 CB GLU B 23 8.273 4.124 2.121 1.00 0.00 C ATOM 917 CG GLU B 23 9.268 3.796 3.221 1.00 0.00 C ATOM 918 CD GLU B 23 8.583 3.447 4.529 1.00 0.00 C ATOM 919 OE1 GLU B 23 8.604 4.287 5.451 1.00 0.00 O ATOM 920 OE2 GLU B 23 8.017 2.338 4.629 1.00 0.00 O ATOM 0 H GLU B 23 6.918 4.887 0.213 1.00 0.00 H new ATOM 0 HA GLU B 23 9.533 5.552 1.144 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.540 4.831 2.509 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.731 3.217 1.856 1.00 0.00 H new ATOM 0 HG2 GLU B 23 9.893 2.960 2.906 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.930 4.648 3.376 1.00 0.00 H new ATOM 927 N VAL B 24 9.157 2.844 -0.674 1.00 0.00 N ATOM 928 CA VAL B 24 9.877 1.870 -1.485 1.00 0.00 C ATOM 929 C VAL B 24 10.864 2.576 -2.405 1.00 0.00 C ATOM 930 O VAL B 24 12.038 2.221 -2.458 1.00 0.00 O ATOM 931 CB VAL B 24 8.922 1.016 -2.357 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.709 0.096 -3.271 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.967 0.203 -1.501 1.00 0.00 C ATOM 0 H VAL B 24 8.145 2.824 -0.797 1.00 0.00 H new ATOM 0 HA VAL B 24 10.401 1.211 -0.793 1.00 0.00 H new ATOM 0 HB VAL B 24 8.334 1.703 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.019 -0.494 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.346 0.691 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.328 -0.571 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.312 -0.384 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.536 -0.466 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.366 0.875 -0.888 1.00 0.00 H new ATOM 943 N ALA B 25 10.374 3.588 -3.115 1.00 0.00 N ATOM 944 CA ALA B 25 11.189 4.331 -4.069 1.00 0.00 C ATOM 945 C ALA B 25 12.408 4.949 -3.395 1.00 0.00 C ATOM 946 O ALA B 25 13.498 4.983 -3.970 1.00 0.00 O ATOM 947 CB ALA B 25 10.352 5.412 -4.740 1.00 0.00 C ATOM 0 H ALA B 25 9.410 3.913 -3.046 1.00 0.00 H new ATOM 0 HA ALA B 25 11.545 3.632 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.969 5.961 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.516 4.951 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.971 6.098 -3.984 1.00 0.00 H new ATOM 953 N ARG B 26 12.217 5.426 -2.172 1.00 0.00 N ATOM 954 CA ARG B 26 13.301 6.018 -1.399 1.00 0.00 C ATOM 955 C ARG B 26 14.353 4.968 -1.059 1.00 0.00 C ATOM 956 O ARG B 26 15.535 5.143 -1.350 1.00 0.00 O ATOM 957 CB ARG B 26 12.752 6.647 -0.119 1.00 0.00 C ATOM 958 CG ARG B 26 11.803 7.806 -0.374 1.00 0.00 C ATOM 959 CD ARG B 26 11.156 8.293 0.911 1.00 0.00 C ATOM 960 NE ARG B 26 12.141 8.766 1.881 1.00 0.00 N ATOM 961 CZ ARG B 26 11.829 9.221 3.093 1.00 0.00 C ATOM 962 NH1 ARG B 26 10.562 9.255 3.490 1.00 0.00 N ATOM 963 NH2 ARG B 26 12.786 9.639 3.910 1.00 0.00 N ATOM 0 H ARG B 26 11.317 5.414 -1.692 1.00 0.00 H new ATOM 0 HA ARG B 26 13.771 6.795 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.233 5.882 0.459 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.585 6.997 0.491 1.00 0.00 H new ATOM 0 HG2 ARG B 26 12.347 8.627 -0.841 1.00 0.00 H new ATOM 0 HG3 ARG B 26 11.029 7.496 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG B 26 10.459 9.099 0.682 1.00 0.00 H new ATOM 0 HD3 ARG B 26 10.574 7.484 1.352 1.00 0.00 H new ATOM 0 HE ARG B 26 13.125 8.747 1.614 1.00 0.00 H new ATOM 0 HH11 ARG B 26 9.823 8.932 2.866 1.00 0.00 H new ATOM 0 HH12 ARG B 26 10.328 9.604 4.419 1.00 0.00 H new ATOM 0 HH21 ARG B 26 13.761 9.612 3.610 1.00 0.00 H new ATOM 0 HH22 ARG B 26 12.548 9.988 4.838 1.00 0.00 H new ATOM 977 N LEU B 27 13.912 3.868 -0.466 1.00 0.00 N ATOM 978 CA LEU B 27 14.817 2.785 -0.098 1.00 0.00 C ATOM 979 C LEU B 27 15.494 2.212 -1.337 1.00 0.00 C ATOM 980 O LEU B 27 16.697 1.948 -1.336 1.00 0.00 O ATOM 981 CB LEU B 27 14.063 1.664 0.621 1.00 0.00 C ATOM 982 CG LEU B 27 13.797 1.844 2.124 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.496 3.288 2.491 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.643 0.955 2.541 1.00 0.00 C ATOM 0 H LEU B 27 12.934 3.700 -0.229 1.00 0.00 H new ATOM 0 HA LEU B 27 15.571 3.197 0.573 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.103 1.529 0.122 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.624 0.740 0.486 1.00 0.00 H new ATOM 0 HG LEU B 27 14.705 1.560 2.656 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.316 3.361 3.563 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.345 3.916 2.222 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.611 3.624 1.951 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.453 1.081 3.607 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.751 1.229 1.978 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.894 -0.086 2.338 1.00 0.00 H new ATOM 996 N LYS B 28 14.718 2.043 -2.401 1.00 0.00 N ATOM 997 CA LYS B 28 15.222 1.462 -3.636 1.00 0.00 C ATOM 998 C LYS B 28 16.179 2.426 -4.334 1.00 0.00 C ATOM 999 O LYS B 28 16.876 2.052 -5.271 1.00 0.00 O ATOM 1000 CB LYS B 28 14.070 1.095 -4.576 1.00 0.00 C ATOM 1001 CG LYS B 28 14.465 0.109 -5.666 1.00 0.00 C ATOM 1002 CD LYS B 28 14.861 -1.234 -5.072 1.00 0.00 C ATOM 1003 CE LYS B 28 15.352 -2.205 -6.130 1.00 0.00 C ATOM 1004 NZ LYS B 28 14.334 -2.447 -7.185 1.00 0.00 N ATOM 0 H LYS B 28 13.732 2.302 -2.431 1.00 0.00 H new ATOM 0 HA LYS B 28 15.765 0.552 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.255 0.669 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.687 2.004 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.633 -0.027 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.296 0.514 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS B 28 15.643 -1.084 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.006 -1.666 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS B 28 16.260 -1.813 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS B 28 15.616 -3.151 -5.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 14.648 -3.225 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.428 -2.700 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 14.212 -1.585 -7.754 1.00 0.00 H new ATOM 1018 N LYS B 29 16.201 3.671 -3.880 1.00 0.00 N ATOM 1019 CA LYS B 29 17.143 4.653 -4.395 1.00 0.00 C ATOM 1020 C LYS B 29 18.514 4.409 -3.770 1.00 0.00 C ATOM 1021 O LYS B 29 19.551 4.571 -4.413 1.00 0.00 O ATOM 1022 CB LYS B 29 16.657 6.073 -4.079 1.00 0.00 C ATOM 1023 CG LYS B 29 17.450 7.175 -4.767 1.00 0.00 C ATOM 1024 CD LYS B 29 17.277 7.143 -6.282 1.00 0.00 C ATOM 1025 CE LYS B 29 15.834 7.402 -6.698 1.00 0.00 C ATOM 1026 NZ LYS B 29 15.357 8.745 -6.272 1.00 0.00 N ATOM 0 H LYS B 29 15.576 4.025 -3.155 1.00 0.00 H new ATOM 0 HA LYS B 29 17.217 4.551 -5.478 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.610 6.159 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.702 6.228 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.129 8.144 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.506 7.069 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS B 29 17.925 7.892 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.595 6.173 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.749 7.315 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS B 29 15.190 6.636 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 14.447 8.952 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.235 8.759 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 16.055 9.465 -6.547 1.00 0.00 H new ATOM 1040 N LEU B 30 18.497 3.984 -2.514 1.00 0.00 N ATOM 1041 CA LEU B 30 19.721 3.673 -1.782 1.00 0.00 C ATOM 1042 C LEU B 30 20.223 2.282 -2.154 1.00 0.00 C ATOM 1043 O LEU B 30 21.427 2.042 -2.227 1.00 0.00 O ATOM 1044 CB LEU B 30 19.499 3.768 -0.268 1.00 0.00 C ATOM 1045 CG LEU B 30 19.496 5.188 0.314 1.00 0.00 C ATOM 1046 CD1 LEU B 30 18.295 5.986 -0.167 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.523 5.138 1.831 1.00 0.00 C ATOM 0 H LEU B 30 17.642 3.845 -1.975 1.00 0.00 H new ATOM 0 HA LEU B 30 20.476 4.408 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.547 3.294 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU B 30 20.277 3.191 0.232 1.00 0.00 H new ATOM 0 HG LEU B 30 20.395 5.693 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU B 30 18.326 6.986 0.265 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.319 6.060 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.378 5.485 0.143 1.00 0.00 H new ATOM 0 HD21 LEU B 30 19.521 6.153 2.229 1.00 0.00 H new ATOM 0 HD22 LEU B 30 18.644 4.604 2.193 1.00 0.00 H new ATOM 0 HD23 LEU B 30 20.424 4.621 2.162 1.00 0.00 H new ATOM 1059 N VAL B 31 19.291 1.367 -2.379 1.00 0.00 N ATOM 1060 CA VAL B 31 19.628 0.039 -2.880 1.00 0.00 C ATOM 1061 C VAL B 31 19.902 0.118 -4.380 1.00 0.00 C ATOM 1062 O VAL B 31 20.495 -0.780 -4.977 1.00 0.00 O ATOM 1063 CB VAL B 31 18.484 -0.971 -2.616 1.00 0.00 C ATOM 1064 CG1 VAL B 31 18.870 -2.374 -3.059 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.097 -0.973 -1.146 1.00 0.00 C ATOM 0 H VAL B 31 18.294 1.518 -2.223 1.00 0.00 H new ATOM 0 HA VAL B 31 20.516 -0.309 -2.353 1.00 0.00 H new ATOM 0 HB VAL B 31 17.623 -0.654 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.045 -3.058 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.089 -2.371 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL B 31 19.753 -2.700 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.292 -1.689 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.960 -1.254 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.761 0.023 -0.857 1.00 0.00 H new ATOM 1075 N GLY B 32 19.479 1.223 -4.973 1.00 0.00 N ATOM 1076 CA GLY B 32 19.596 1.409 -6.402 1.00 0.00 C ATOM 1077 C GLY B 32 20.943 1.962 -6.814 1.00 0.00 C ATOM 1078 O GLY B 32 21.744 1.255 -7.424 1.00 0.00 O ATOM 0 H GLY B 32 19.050 2.006 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.432 0.455 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY B 32 18.812 2.086 -6.741 1.00 0.00 H new ATOM 1082 N GLU B 33 21.184 3.225 -6.468 1.00 0.00 N ATOM 1083 CA GLU B 33 22.428 3.912 -6.801 1.00 0.00 C ATOM 1084 C GLU B 33 22.617 3.987 -8.320 1.00 0.00 C ATOM 1085 O GLU B 33 23.399 3.189 -8.875 1.00 0.00 O ATOM 1086 CB GLU B 33 23.622 3.215 -6.134 1.00 0.00 C ATOM 1087 CG GLU B 33 24.925 3.990 -6.231 1.00 0.00 C ATOM 1088 CD GLU B 33 24.868 5.330 -5.524 1.00 0.00 C ATOM 1089 OE1 GLU B 33 25.094 5.366 -4.298 1.00 0.00 O ATOM 1090 OE2 GLU B 33 24.600 6.345 -6.200 1.00 0.00 O ATOM 1091 OXT GLU B 33 21.969 4.847 -8.954 1.00 0.00 O ATOM 0 H GLU B 33 20.521 3.800 -5.948 1.00 0.00 H new ATOM 0 HA GLU B 33 22.371 4.931 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU B 33 23.390 3.046 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.759 2.235 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU B 33 25.730 3.393 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU B 33 25.170 4.149 -7.281 1.00 0.00 H new TER 1098 GLU B 33