USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 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: A 17 ASN : amide:sc= -4.07 K(o=-8.2,f=-17!) USER MOD Set 1.2: B 17 ASN : amide:sc= -4.16 K(o=-8.2,f=-17!) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.114 (180deg=0) USER MOD Single : A 3 MET CE :methyl -163:sc= -0.0826 (180deg=-0.703) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0457) USER MOD Single : A 5 GLN : amide:sc= 0.786 K(o=0.79,f=-4.3!) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.0266 (180deg=-0.261) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.84 K(o=-1.8,f=0.071) USER MOD Single : A 22 ASN : amide:sc= -1.27! K(o=-1.3!,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0385) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -112:sc= 0.116 (180deg=0) USER MOD Single : B 3 MET CE :methyl -163:sc= -0.0656 (180deg=-0.727) USER MOD Single : B 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0543) USER MOD Single : B 5 GLN : amide:sc= 0.813 K(o=0.81,f=-4.2!) USER MOD Single : B 9 LYS NZ :NH3+ -164:sc= -0.0234 (180deg=-0.256) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -1.86 K(o=-1.9,f=0.11) USER MOD Single : B 22 ASN : amide:sc= -1.27! K(o=-1.3!,f=-0.092) USER MOD Single : B 28 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0401) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.422 -4.802 -4.406 1.00 0.00 N ATOM 2 CA GLY A 1 -25.548 -4.400 -3.280 1.00 0.00 C ATOM 3 C GLY A 1 -24.266 -3.766 -3.764 1.00 0.00 C ATOM 4 O GLY A 1 -23.983 -3.776 -4.962 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.304 -4.252 -4.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.933 -4.622 -5.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.643 -5.815 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.081 -3.698 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.314 -5.274 -2.671 1.00 0.00 H new ATOM 10 N SER A 2 -23.497 -3.209 -2.843 1.00 0.00 N ATOM 11 CA SER A 2 -22.242 -2.555 -3.181 1.00 0.00 C ATOM 12 C SER A 2 -21.104 -3.020 -2.275 1.00 0.00 C ATOM 13 O SER A 2 -19.933 -2.773 -2.562 1.00 0.00 O ATOM 14 CB SER A 2 -22.407 -1.038 -3.069 1.00 0.00 C ATOM 15 OG SER A 2 -23.145 -0.688 -1.907 1.00 0.00 O ATOM 0 H SER A 2 -23.722 -3.197 -1.848 1.00 0.00 H new ATOM 0 HA SER A 2 -21.985 -2.826 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.426 -0.564 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.916 -0.658 -3.955 1.00 0.00 H new ATOM 0 HG SER A 2 -23.235 0.287 -1.858 1.00 0.00 H new ATOM 21 N MET A 3 -21.455 -3.719 -1.201 1.00 0.00 N ATOM 22 CA MET A 3 -20.496 -4.053 -0.151 1.00 0.00 C ATOM 23 C MET A 3 -19.304 -4.833 -0.693 1.00 0.00 C ATOM 24 O MET A 3 -18.165 -4.399 -0.553 1.00 0.00 O ATOM 25 CB MET A 3 -21.171 -4.852 0.967 1.00 0.00 C ATOM 26 CG MET A 3 -22.245 -4.078 1.716 1.00 0.00 C ATOM 27 SD MET A 3 -21.612 -2.595 2.529 1.00 0.00 S ATOM 28 CE MET A 3 -20.453 -3.309 3.696 1.00 0.00 C ATOM 0 H MET A 3 -22.399 -4.067 -1.033 1.00 0.00 H new ATOM 0 HA MET A 3 -20.127 -3.110 0.252 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.616 -5.751 0.540 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.411 -5.179 1.677 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.033 -3.794 1.019 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.699 -4.729 2.463 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.210 -2.574 4.463 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.901 -4.187 4.163 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.543 -3.601 3.172 1.00 0.00 H new ATOM 38 N LYS A 4 -19.563 -5.962 -1.337 1.00 0.00 N ATOM 39 CA LYS A 4 -18.485 -6.855 -1.762 1.00 0.00 C ATOM 40 C LYS A 4 -17.659 -6.271 -2.912 1.00 0.00 C ATOM 41 O LYS A 4 -16.512 -6.655 -3.104 1.00 0.00 O ATOM 42 CB LYS A 4 -19.027 -8.242 -2.140 1.00 0.00 C ATOM 43 CG LYS A 4 -20.118 -8.229 -3.201 1.00 0.00 C ATOM 44 CD LYS A 4 -20.436 -9.633 -3.700 1.00 0.00 C ATOM 45 CE LYS A 4 -20.897 -10.556 -2.579 1.00 0.00 C ATOM 46 NZ LYS A 4 -22.143 -10.078 -1.924 1.00 0.00 N ATOM 0 H LYS A 4 -20.501 -6.283 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.818 -6.963 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.200 -8.856 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.417 -8.722 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -21.020 -7.776 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.803 -7.608 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.212 -9.577 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.551 -10.056 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.062 -11.556 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.107 -10.639 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.461 -10.782 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.958 -9.174 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.883 -9.943 -2.642 1.00 0.00 H new ATOM 60 N GLN A 5 -18.218 -5.319 -3.645 1.00 0.00 N ATOM 61 CA GLN A 5 -17.525 -4.732 -4.788 1.00 0.00 C ATOM 62 C GLN A 5 -16.662 -3.582 -4.319 1.00 0.00 C ATOM 63 O GLN A 5 -15.557 -3.369 -4.819 1.00 0.00 O ATOM 64 CB GLN A 5 -18.499 -4.228 -5.855 1.00 0.00 C ATOM 65 CG GLN A 5 -19.492 -5.268 -6.335 1.00 0.00 C ATOM 66 CD GLN A 5 -20.848 -5.100 -5.689 1.00 0.00 C ATOM 67 OE1 GLN A 5 -21.128 -5.672 -4.637 1.00 0.00 O ATOM 68 NE2 GLN A 5 -21.694 -4.301 -6.308 1.00 0.00 N ATOM 0 H GLN A 5 -19.147 -4.936 -3.471 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.911 -5.513 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.048 -3.376 -5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.928 -3.866 -6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.595 -5.197 -7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.107 -6.264 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -21.421 -3.846 -7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -22.621 -4.138 -5.916 1.00 0.00 H new ATOM 77 N LEU A 6 -17.183 -2.834 -3.364 1.00 0.00 N ATOM 78 CA LEU A 6 -16.406 -1.805 -2.705 1.00 0.00 C ATOM 79 C LEU A 6 -15.280 -2.460 -1.922 1.00 0.00 C ATOM 80 O LEU A 6 -14.126 -2.053 -2.022 1.00 0.00 O ATOM 81 CB LEU A 6 -17.292 -0.971 -1.776 1.00 0.00 C ATOM 82 CG LEU A 6 -17.975 0.262 -2.392 1.00 0.00 C ATOM 83 CD1 LEU A 6 -16.964 1.369 -2.659 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.705 -0.099 -3.677 1.00 0.00 C ATOM 0 H LEU A 6 -18.142 -2.921 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.985 -1.134 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.067 -1.622 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.684 -0.638 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.707 0.625 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.473 2.229 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.491 1.663 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.204 1.008 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.178 0.792 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.994 -0.500 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.467 -0.849 -3.464 1.00 0.00 H new ATOM 96 N GLU A 7 -15.624 -3.506 -1.170 1.00 0.00 N ATOM 97 CA GLU A 7 -14.630 -4.293 -0.451 1.00 0.00 C ATOM 98 C GLU A 7 -13.620 -4.895 -1.413 1.00 0.00 C ATOM 99 O GLU A 7 -12.450 -5.048 -1.064 1.00 0.00 O ATOM 100 CB GLU A 7 -15.283 -5.406 0.366 1.00 0.00 C ATOM 101 CG GLU A 7 -16.091 -4.905 1.548 1.00 0.00 C ATOM 102 CD GLU A 7 -16.680 -6.036 2.364 1.00 0.00 C ATOM 103 OE1 GLU A 7 -17.815 -6.461 2.058 1.00 0.00 O ATOM 104 OE2 GLU A 7 -16.007 -6.498 3.306 1.00 0.00 O ATOM 0 H GLU A 7 -16.585 -3.825 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.116 -3.617 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.934 -5.989 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.507 -6.081 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.454 -4.293 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.895 -4.262 1.189 1.00 0.00 H new ATOM 111 N ASP A 8 -14.072 -5.245 -2.623 1.00 0.00 N ATOM 112 CA ASP A 8 -13.149 -5.731 -3.653 1.00 0.00 C ATOM 113 C ASP A 8 -12.045 -4.713 -3.910 1.00 0.00 C ATOM 114 O ASP A 8 -10.881 -5.074 -4.073 1.00 0.00 O ATOM 115 CB ASP A 8 -13.871 -6.041 -4.969 1.00 0.00 C ATOM 116 CG ASP A 8 -14.411 -7.455 -5.025 1.00 0.00 C ATOM 117 OD1 ASP A 8 -15.571 -7.632 -5.456 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.674 -8.384 -4.641 1.00 0.00 O ATOM 0 H ASP A 8 -15.050 -5.202 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.713 -6.656 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.693 -5.338 -5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.183 -5.887 -5.800 1.00 0.00 H new ATOM 123 N LYS A 9 -12.418 -3.439 -3.925 1.00 0.00 N ATOM 124 CA LYS A 9 -11.468 -2.362 -4.166 1.00 0.00 C ATOM 125 C LYS A 9 -10.575 -2.148 -2.949 1.00 0.00 C ATOM 126 O LYS A 9 -9.366 -1.955 -3.084 1.00 0.00 O ATOM 127 CB LYS A 9 -12.205 -1.064 -4.503 1.00 0.00 C ATOM 128 CG LYS A 9 -13.109 -1.169 -5.721 1.00 0.00 C ATOM 129 CD LYS A 9 -12.321 -1.434 -6.998 1.00 0.00 C ATOM 130 CE LYS A 9 -11.470 -0.238 -7.402 1.00 0.00 C ATOM 131 NZ LYS A 9 -12.300 0.950 -7.733 1.00 0.00 N ATOM 0 H LYS A 9 -13.377 -3.126 -3.772 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.843 -2.646 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.803 -0.763 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.472 -0.275 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.831 -1.971 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.677 -0.245 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.679 -2.303 -6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.011 -1.677 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.787 0.012 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.857 -0.504 -8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.724 1.642 -8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.106 0.657 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.652 1.383 -6.855 1.00 0.00 H new ATOM 145 N VAL A 10 -11.182 -2.193 -1.765 1.00 0.00 N ATOM 146 CA VAL A 10 -10.451 -1.993 -0.517 1.00 0.00 C ATOM 147 C VAL A 10 -9.313 -3.003 -0.397 1.00 0.00 C ATOM 148 O VAL A 10 -8.142 -2.633 -0.315 1.00 0.00 O ATOM 149 CB VAL A 10 -11.359 -2.143 0.727 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.637 -1.659 1.969 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.670 -1.400 0.571 1.00 0.00 C ATOM 0 H VAL A 10 -12.180 -2.367 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.062 -0.975 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.590 -3.203 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.289 -1.771 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.732 -2.249 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.370 -0.609 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.274 -1.535 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.471 -0.339 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.210 -1.792 -0.291 1.00 0.00 H new ATOM 161 N GLU A 11 -9.664 -4.283 -0.419 1.00 0.00 N ATOM 162 CA GLU A 11 -8.687 -5.347 -0.218 1.00 0.00 C ATOM 163 C GLU A 11 -7.741 -5.468 -1.414 1.00 0.00 C ATOM 164 O GLU A 11 -6.689 -6.098 -1.319 1.00 0.00 O ATOM 165 CB GLU A 11 -9.392 -6.684 0.026 1.00 0.00 C ATOM 166 CG GLU A 11 -10.221 -7.163 -1.154 1.00 0.00 C ATOM 167 CD GLU A 11 -10.897 -8.492 -0.889 1.00 0.00 C ATOM 168 OE1 GLU A 11 -12.034 -8.485 -0.372 1.00 0.00 O ATOM 169 OE2 GLU A 11 -10.290 -9.538 -1.198 1.00 0.00 O ATOM 0 H GLU A 11 -10.618 -4.610 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.095 -5.090 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.644 -7.441 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.039 -6.590 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.978 -6.415 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.580 -7.254 -2.031 1.00 0.00 H new ATOM 176 N GLU A 12 -8.113 -4.870 -2.540 1.00 0.00 N ATOM 177 CA GLU A 12 -7.249 -4.857 -3.712 1.00 0.00 C ATOM 178 C GLU A 12 -6.041 -3.982 -3.416 1.00 0.00 C ATOM 179 O GLU A 12 -4.902 -4.342 -3.716 1.00 0.00 O ATOM 180 CB GLU A 12 -8.000 -4.326 -4.939 1.00 0.00 C ATOM 181 CG GLU A 12 -7.647 -5.034 -6.244 1.00 0.00 C ATOM 182 CD GLU A 12 -6.167 -4.992 -6.576 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.451 -5.949 -6.213 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.724 -4.003 -7.196 1.00 0.00 O ATOM 0 H GLU A 12 -9.004 -4.390 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.927 -5.874 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.072 -4.423 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.789 -3.262 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.968 -6.074 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.207 -4.576 -7.059 1.00 0.00 H new ATOM 191 N LEU A 13 -6.305 -2.838 -2.808 1.00 0.00 N ATOM 192 CA LEU A 13 -5.248 -1.944 -2.367 1.00 0.00 C ATOM 193 C LEU A 13 -4.551 -2.522 -1.142 1.00 0.00 C ATOM 194 O LEU A 13 -3.364 -2.280 -0.919 1.00 0.00 O ATOM 195 CB LEU A 13 -5.827 -0.570 -2.050 1.00 0.00 C ATOM 196 CG LEU A 13 -6.588 0.085 -3.202 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.145 1.424 -2.770 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.687 0.249 -4.418 1.00 0.00 C ATOM 0 H LEU A 13 -7.248 -2.505 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.515 -1.839 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.498 -0.662 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.014 0.090 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.419 -0.564 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.684 1.879 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.825 1.281 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.327 2.078 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.249 0.717 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.835 0.877 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.332 -0.729 -4.742 1.00 0.00 H new ATOM 210 N LEU A 14 -5.303 -3.292 -0.360 1.00 0.00 N ATOM 211 CA LEU A 14 -4.763 -3.997 0.798 1.00 0.00 C ATOM 212 C LEU A 14 -3.728 -5.021 0.354 1.00 0.00 C ATOM 213 O LEU A 14 -2.741 -5.273 1.042 1.00 0.00 O ATOM 214 CB LEU A 14 -5.887 -4.711 1.545 1.00 0.00 C ATOM 215 CG LEU A 14 -5.550 -5.141 2.969 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.317 -3.922 3.842 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.664 -6.004 3.541 1.00 0.00 C ATOM 0 H LEU A 14 -6.300 -3.444 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.291 -3.269 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.755 -4.053 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.177 -5.594 0.975 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.635 -5.733 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.077 -4.241 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.488 -3.339 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.218 -3.309 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.408 -6.302 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.594 -5.436 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.790 -6.893 2.923 1.00 0.00 H new ATOM 229 N SER A 15 -3.976 -5.605 -0.807 1.00 0.00 N ATOM 230 CA SER A 15 -3.066 -6.557 -1.407 1.00 0.00 C ATOM 231 C SER A 15 -1.789 -5.836 -1.799 1.00 0.00 C ATOM 232 O SER A 15 -0.690 -6.378 -1.673 1.00 0.00 O ATOM 233 CB SER A 15 -3.712 -7.215 -2.632 1.00 0.00 C ATOM 234 OG SER A 15 -2.908 -8.269 -3.134 1.00 0.00 O ATOM 0 H SER A 15 -4.816 -5.430 -1.358 1.00 0.00 H new ATOM 0 HA SER A 15 -2.833 -7.343 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.696 -7.601 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.864 -6.468 -3.411 1.00 0.00 H new ATOM 0 HG SER A 15 -3.345 -8.671 -3.914 1.00 0.00 H new ATOM 240 N LYS A 16 -1.930 -4.595 -2.253 1.00 0.00 N ATOM 241 CA LYS A 16 -0.763 -3.787 -2.522 1.00 0.00 C ATOM 242 C LYS A 16 -0.083 -3.427 -1.214 1.00 0.00 C ATOM 243 O LYS A 16 1.117 -3.510 -1.128 1.00 0.00 O ATOM 244 CB LYS A 16 -1.074 -2.526 -3.331 1.00 0.00 C ATOM 245 CG LYS A 16 -1.644 -2.807 -4.710 1.00 0.00 C ATOM 246 CD LYS A 16 -1.482 -1.612 -5.639 1.00 0.00 C ATOM 247 CE LYS A 16 -2.030 -0.332 -5.030 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.002 0.797 -5.996 1.00 0.00 N ATOM 0 H LYS A 16 -2.824 -4.141 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.093 -4.385 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.782 -1.913 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.161 -1.940 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.143 -3.674 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.701 -3.060 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.426 -1.477 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.995 -1.813 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.054 -0.498 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.445 -0.070 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.384 1.651 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.022 0.973 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.581 0.558 -6.826 1.00 0.00 H new ATOM 262 N ASN A 17 -0.849 -3.075 -0.180 1.00 0.00 N ATOM 263 CA ASN A 17 -0.260 -2.816 1.137 1.00 0.00 C ATOM 264 C ASN A 17 0.556 -4.026 1.555 1.00 0.00 C ATOM 265 O ASN A 17 1.619 -3.892 2.150 1.00 0.00 O ATOM 266 CB ASN A 17 -1.340 -2.574 2.202 1.00 0.00 C ATOM 267 CG ASN A 17 -2.241 -1.391 1.923 1.00 0.00 C ATOM 268 OD1 ASN A 17 -3.427 -1.424 2.237 1.00 0.00 O ATOM 269 ND2 ASN A 17 -1.693 -0.324 1.377 1.00 0.00 N ATOM 0 H ASN A 17 -1.862 -2.964 -0.225 1.00 0.00 H new ATOM 0 HA ASN A 17 0.361 -1.923 1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.954 -3.470 2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.855 -2.426 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.258 0.507 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.704 -0.330 1.128 1.00 0.00 H new ATOM 276 N TYR A 18 0.047 -5.211 1.233 1.00 0.00 N ATOM 277 CA TYR A 18 0.763 -6.442 1.524 1.00 0.00 C ATOM 278 C TYR A 18 2.065 -6.513 0.720 1.00 0.00 C ATOM 279 O TYR A 18 3.156 -6.497 1.289 1.00 0.00 O ATOM 280 CB TYR A 18 -0.121 -7.658 1.223 1.00 0.00 C ATOM 281 CG TYR A 18 0.546 -8.988 1.500 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.041 -9.769 0.463 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.683 -9.459 2.798 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.652 -10.982 0.713 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.293 -10.670 3.055 1.00 0.00 C ATOM 286 CZ TYR A 18 1.777 -11.428 2.010 1.00 0.00 C ATOM 287 OH TYR A 18 2.388 -12.635 2.264 1.00 0.00 O ATOM 0 H TYR A 18 -0.854 -5.342 0.773 1.00 0.00 H new ATOM 0 HA TYR A 18 1.015 -6.451 2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.031 -7.589 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.422 -7.625 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.946 -9.422 -0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.306 -8.869 3.620 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.030 -11.578 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.391 -11.023 4.071 1.00 0.00 H new ATOM 0 HH TYR A 18 2.395 -12.801 3.230 1.00 0.00 H new ATOM 297 N HIS A 19 1.938 -6.552 -0.603 1.00 0.00 N ATOM 298 CA HIS A 19 3.088 -6.737 -1.491 1.00 0.00 C ATOM 299 C HIS A 19 4.054 -5.552 -1.438 1.00 0.00 C ATOM 300 O HIS A 19 5.269 -5.733 -1.455 1.00 0.00 O ATOM 301 CB HIS A 19 2.626 -6.951 -2.935 1.00 0.00 C ATOM 302 CG HIS A 19 1.975 -8.279 -3.183 1.00 0.00 C ATOM 303 ND1 HIS A 19 2.590 -9.302 -3.872 1.00 0.00 N ATOM 304 CD2 HIS A 19 0.752 -8.747 -2.838 1.00 0.00 C ATOM 305 CE1 HIS A 19 1.774 -10.337 -3.939 1.00 0.00 C ATOM 306 NE2 HIS A 19 0.655 -10.026 -3.318 1.00 0.00 N ATOM 0 H HIS A 19 1.046 -6.458 -1.089 1.00 0.00 H new ATOM 0 HA HIS A 19 3.618 -7.622 -1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.925 -6.160 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.485 -6.851 -3.598 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.006 -8.211 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.988 -11.279 -4.421 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.153 -10.639 -3.212 1.00 0.00 H new ATOM 315 N LEU A 20 3.506 -4.350 -1.363 1.00 0.00 N ATOM 316 CA LEU A 20 4.276 -3.133 -1.388 1.00 0.00 C ATOM 317 C LEU A 20 5.076 -2.978 -0.092 1.00 0.00 C ATOM 318 O LEU A 20 6.196 -2.472 -0.100 1.00 0.00 O ATOM 319 CB LEU A 20 3.310 -1.958 -1.623 1.00 0.00 C ATOM 320 CG LEU A 20 3.939 -0.604 -1.698 1.00 0.00 C ATOM 321 CD1 LEU A 20 5.031 -0.592 -2.738 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.918 0.464 -2.017 1.00 0.00 C ATOM 0 H LEU A 20 2.501 -4.198 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 20 5.005 -3.155 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.768 -2.138 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.573 -1.952 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 20 4.367 -0.384 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.481 0.400 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.794 -1.324 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.609 -0.843 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.410 1.435 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.452 0.247 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.154 0.481 -1.239 1.00 0.00 H new ATOM 334 N GLU A 21 4.513 -3.447 1.018 1.00 0.00 N ATOM 335 CA GLU A 21 5.229 -3.446 2.286 1.00 0.00 C ATOM 336 C GLU A 21 6.260 -4.565 2.303 1.00 0.00 C ATOM 337 O GLU A 21 7.315 -4.437 2.927 1.00 0.00 O ATOM 338 CB GLU A 21 4.271 -3.592 3.471 1.00 0.00 C ATOM 339 CG GLU A 21 4.905 -3.217 4.798 1.00 0.00 C ATOM 340 CD GLU A 21 3.967 -3.399 5.974 1.00 0.00 C ATOM 341 OE1 GLU A 21 3.288 -2.419 6.347 1.00 0.00 O ATOM 342 OE2 GLU A 21 3.912 -4.518 6.524 1.00 0.00 O ATOM 0 H GLU A 21 3.569 -3.830 1.064 1.00 0.00 H new ATOM 0 HA GLU A 21 5.737 -2.487 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.396 -2.964 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.919 -4.622 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.796 -3.825 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.231 -2.178 4.758 1.00 0.00 H new ATOM 349 N ASN A 22 5.959 -5.659 1.609 1.00 0.00 N ATOM 350 CA ASN A 22 6.933 -6.732 1.430 1.00 0.00 C ATOM 351 C ASN A 22 8.142 -6.200 0.677 1.00 0.00 C ATOM 352 O ASN A 22 9.271 -6.647 0.893 1.00 0.00 O ATOM 353 CB ASN A 22 6.331 -7.915 0.664 1.00 0.00 C ATOM 354 CG ASN A 22 5.285 -8.680 1.455 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.340 -9.222 0.883 1.00 0.00 O ATOM 356 ND2 ASN A 22 5.449 -8.748 2.768 1.00 0.00 N ATOM 0 H ASN A 22 5.056 -5.826 1.165 1.00 0.00 H new ATOM 0 HA ASN A 22 7.232 -7.086 2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.881 -7.549 -0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.131 -8.598 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.779 -9.263 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.245 -8.286 3.207 1.00 0.00 H new ATOM 363 N GLU A 23 7.898 -5.240 -0.210 1.00 0.00 N ATOM 364 CA GLU A 23 8.978 -4.576 -0.921 1.00 0.00 C ATOM 365 C GLU A 23 9.773 -3.705 0.045 1.00 0.00 C ATOM 366 O GLU A 23 10.998 -3.807 0.118 1.00 0.00 O ATOM 367 CB GLU A 23 8.436 -3.718 -2.070 1.00 0.00 C ATOM 368 CG GLU A 23 7.595 -4.487 -3.081 1.00 0.00 C ATOM 369 CD GLU A 23 8.344 -5.639 -3.723 1.00 0.00 C ATOM 370 OE1 GLU A 23 9.067 -5.399 -4.712 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.204 -6.783 -3.239 1.00 0.00 O ATOM 0 H GLU A 23 6.964 -4.908 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 23 9.630 -5.340 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.834 -2.911 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.275 -3.255 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.704 -4.872 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.257 -3.803 -3.859 1.00 0.00 H new ATOM 378 N VAL A 24 9.061 -2.872 0.803 1.00 0.00 N ATOM 379 CA VAL A 24 9.693 -1.972 1.765 1.00 0.00 C ATOM 380 C VAL A 24 10.573 -2.742 2.749 1.00 0.00 C ATOM 381 O VAL A 24 11.740 -2.405 2.945 1.00 0.00 O ATOM 382 CB VAL A 24 8.656 -1.154 2.575 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.346 -0.317 3.638 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.866 -0.250 1.672 1.00 0.00 C ATOM 0 H VAL A 24 8.044 -2.802 0.769 1.00 0.00 H new ATOM 0 HA VAL A 24 10.302 -1.286 1.176 1.00 0.00 H new ATOM 0 HB VAL A 24 7.980 -1.861 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.600 0.250 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.889 -0.971 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.044 0.372 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.144 0.314 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.541 0.441 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.338 -0.848 0.929 1.00 0.00 H new ATOM 394 N ALA A 25 10.005 -3.784 3.350 1.00 0.00 N ATOM 395 CA ALA A 25 10.700 -4.562 4.371 1.00 0.00 C ATOM 396 C ALA A 25 12.007 -5.138 3.838 1.00 0.00 C ATOM 397 O ALA A 25 13.034 -5.121 4.526 1.00 0.00 O ATOM 398 CB ALA A 25 9.801 -5.679 4.884 1.00 0.00 C ATOM 0 H ALA A 25 9.060 -4.110 3.146 1.00 0.00 H new ATOM 0 HA ALA A 25 10.942 -3.892 5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.331 -6.252 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.898 -5.249 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.530 -6.336 4.058 1.00 0.00 H new ATOM 404 N ARG A 26 11.965 -5.635 2.609 1.00 0.00 N ATOM 405 CA ARG A 26 13.142 -6.212 1.976 1.00 0.00 C ATOM 406 C ARG A 26 14.191 -5.134 1.731 1.00 0.00 C ATOM 407 O ARG A 26 15.346 -5.273 2.130 1.00 0.00 O ATOM 408 CB ARG A 26 12.757 -6.884 0.655 1.00 0.00 C ATOM 409 CG ARG A 26 13.897 -7.634 -0.024 1.00 0.00 C ATOM 410 CD ARG A 26 14.161 -8.994 0.614 1.00 0.00 C ATOM 411 NE ARG A 26 14.651 -8.898 1.991 1.00 0.00 N ATOM 412 CZ ARG A 26 15.850 -9.325 2.391 1.00 0.00 C ATOM 413 NH1 ARG A 26 16.702 -9.854 1.520 1.00 0.00 N ATOM 414 NH2 ARG A 26 16.198 -9.223 3.668 1.00 0.00 N ATOM 0 H ARG A 26 11.126 -5.650 2.030 1.00 0.00 H new ATOM 0 HA ARG A 26 13.563 -6.965 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.939 -7.580 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.380 -6.124 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.660 -7.771 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.804 -7.031 0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.241 -9.579 0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.891 -9.535 0.012 1.00 0.00 H new ATOM 0 HE ARG A 26 14.036 -8.478 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.441 -9.936 0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.617 -10.178 1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.549 -8.818 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.115 -9.549 3.974 1.00 0.00 H new ATOM 428 N LEU A 27 13.766 -4.049 1.100 1.00 0.00 N ATOM 429 CA LEU A 27 14.659 -2.942 0.772 1.00 0.00 C ATOM 430 C LEU A 27 15.277 -2.345 2.031 1.00 0.00 C ATOM 431 O LEU A 27 16.471 -2.055 2.070 1.00 0.00 O ATOM 432 CB LEU A 27 13.901 -1.841 0.025 1.00 0.00 C ATOM 433 CG LEU A 27 13.690 -2.030 -1.485 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.399 -3.478 -1.846 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.552 -1.141 -1.957 1.00 0.00 C ATOM 0 H LEU A 27 12.801 -3.909 0.802 1.00 0.00 H new ATOM 0 HA LEU A 27 15.451 -3.340 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.922 -1.730 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.434 -0.902 0.176 1.00 0.00 H new ATOM 0 HG LEU A 27 14.616 -1.748 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.257 -3.563 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.237 -4.105 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.494 -3.806 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.404 -1.277 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.637 -1.409 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.797 -0.098 -1.754 1.00 0.00 H new ATOM 447 N LYS A 28 14.455 -2.175 3.059 1.00 0.00 N ATOM 448 CA LYS A 28 14.880 -1.521 4.291 1.00 0.00 C ATOM 449 C LYS A 28 15.980 -2.317 4.989 1.00 0.00 C ATOM 450 O LYS A 28 16.782 -1.757 5.730 1.00 0.00 O ATOM 451 CB LYS A 28 13.682 -1.331 5.226 1.00 0.00 C ATOM 452 CG LYS A 28 13.899 -0.274 6.297 1.00 0.00 C ATOM 453 CD LYS A 28 14.295 1.061 5.683 1.00 0.00 C ATOM 454 CE LYS A 28 14.139 2.207 6.666 1.00 0.00 C ATOM 455 NZ LYS A 28 14.955 2.012 7.892 1.00 0.00 N ATOM 0 H LYS A 28 13.483 -2.484 3.063 1.00 0.00 H new ATOM 0 HA LYS A 28 15.288 -0.544 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.809 -1.059 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.455 -2.282 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.987 -0.152 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.676 -0.605 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.330 1.012 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.681 1.252 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.430 3.140 6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.089 2.305 6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.924 2.876 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.574 1.214 8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.940 1.809 7.625 1.00 0.00 H new ATOM 469 N LYS A 29 16.018 -3.622 4.744 1.00 0.00 N ATOM 470 CA LYS A 29 17.075 -4.465 5.288 1.00 0.00 C ATOM 471 C LYS A 29 18.394 -4.203 4.561 1.00 0.00 C ATOM 472 O LYS A 29 19.461 -4.166 5.175 1.00 0.00 O ATOM 473 CB LYS A 29 16.688 -5.941 5.169 1.00 0.00 C ATOM 474 CG LYS A 29 17.772 -6.901 5.636 1.00 0.00 C ATOM 475 CD LYS A 29 18.118 -6.686 7.100 1.00 0.00 C ATOM 476 CE LYS A 29 19.272 -7.571 7.534 1.00 0.00 C ATOM 477 NZ LYS A 29 19.639 -7.350 8.957 1.00 0.00 N ATOM 0 H LYS A 29 15.332 -4.117 4.174 1.00 0.00 H new ATOM 0 HA LYS A 29 17.206 -4.221 6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.784 -6.118 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.445 -6.160 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.438 -7.928 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.666 -6.766 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.378 -5.640 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.244 -6.897 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.002 -8.617 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.138 -7.374 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.431 -7.974 9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.922 -6.358 9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.821 -7.563 9.563 1.00 0.00 H new ATOM 491 N LEU A 30 18.303 -4.004 3.254 1.00 0.00 N ATOM 492 CA LEU A 30 19.479 -3.752 2.425 1.00 0.00 C ATOM 493 C LEU A 30 19.983 -2.327 2.628 1.00 0.00 C ATOM 494 O LEU A 30 21.185 -2.065 2.552 1.00 0.00 O ATOM 495 CB LEU A 30 19.169 -4.007 0.944 1.00 0.00 C ATOM 496 CG LEU A 30 19.183 -5.481 0.505 1.00 0.00 C ATOM 497 CD1 LEU A 30 18.087 -6.279 1.188 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.048 -5.588 -1.005 1.00 0.00 C ATOM 0 H LEU A 30 17.422 -4.012 2.740 1.00 0.00 H new ATOM 0 HA LEU A 30 20.264 -4.443 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.187 -3.589 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.893 -3.460 0.341 1.00 0.00 H new ATOM 0 HG LEU A 30 20.141 -5.904 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.129 -7.315 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.229 -6.241 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.116 -5.854 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.060 -6.638 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.108 -5.134 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.879 -5.069 -1.482 1.00 0.00 H new ATOM 510 N VAL A 31 19.059 -1.409 2.886 1.00 0.00 N ATOM 511 CA VAL A 31 19.422 -0.055 3.283 1.00 0.00 C ATOM 512 C VAL A 31 19.934 -0.087 4.717 1.00 0.00 C ATOM 513 O VAL A 31 20.718 0.763 5.145 1.00 0.00 O ATOM 514 CB VAL A 31 18.219 0.915 3.182 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.620 2.327 3.581 1.00 0.00 C ATOM 516 CG2 VAL A 31 17.637 0.909 1.778 1.00 0.00 C ATOM 0 H VAL A 31 18.055 -1.578 2.827 1.00 0.00 H new ATOM 0 HA VAL A 31 20.195 0.308 2.606 1.00 0.00 H new ATOM 0 HB VAL A 31 17.454 0.568 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.756 2.987 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.981 2.326 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.410 2.682 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.793 1.598 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.401 1.222 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.299 -0.097 1.529 1.00 0.00 H new ATOM 526 N GLY A 32 19.488 -1.105 5.441 1.00 0.00 N ATOM 527 CA GLY A 32 19.901 -1.308 6.809 1.00 0.00 C ATOM 528 C GLY A 32 21.382 -1.599 6.928 1.00 0.00 C ATOM 529 O GLY A 32 22.090 -0.951 7.700 1.00 0.00 O ATOM 0 H GLY A 32 18.834 -1.806 5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.660 -0.420 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 32 19.335 -2.135 7.237 1.00 0.00 H new ATOM 533 N GLU A 33 21.854 -2.569 6.158 1.00 0.00 N ATOM 534 CA GLU A 33 23.256 -2.943 6.184 1.00 0.00 C ATOM 535 C GLU A 33 23.860 -2.835 4.787 1.00 0.00 C ATOM 536 O GLU A 33 24.387 -1.758 4.449 1.00 0.00 O ATOM 537 CB GLU A 33 23.418 -4.364 6.733 1.00 0.00 C ATOM 538 CG GLU A 33 24.868 -4.775 6.932 1.00 0.00 C ATOM 539 CD GLU A 33 25.013 -6.205 7.409 1.00 0.00 C ATOM 540 OE1 GLU A 33 24.963 -6.431 8.635 1.00 0.00 O ATOM 541 OE2 GLU A 33 25.180 -7.101 6.555 1.00 0.00 O ATOM 542 OXT GLU A 33 23.812 -3.826 4.030 1.00 0.00 O ATOM 0 H GLU A 33 21.284 -3.110 5.508 1.00 0.00 H new ATOM 0 HA GLU A 33 23.788 -2.257 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 33 22.893 -4.439 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 33 22.940 -5.066 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 33 25.407 -4.654 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 33 25.334 -4.106 7.656 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -26.551 4.962 3.293 1.00 0.00 N ATOM 551 CA GLY B 1 -25.634 4.552 2.203 1.00 0.00 C ATOM 552 C GLY B 1 -24.374 3.912 2.738 1.00 0.00 C ATOM 553 O GLY B 1 -24.134 3.933 3.944 1.00 0.00 O ATOM 0 H1 GLY B 1 -27.405 4.370 3.269 1.00 0.00 H new ATOM 0 H2 GLY B 1 -26.074 4.845 4.210 1.00 0.00 H new ATOM 0 H3 GLY B 1 -26.817 5.959 3.166 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -26.145 3.851 1.543 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -25.372 5.423 1.602 1.00 0.00 H new ATOM 559 N SER B 2 -23.576 3.340 1.848 1.00 0.00 N ATOM 560 CA SER B 2 -22.340 2.678 2.242 1.00 0.00 C ATOM 561 C SER B 2 -21.162 3.132 1.385 1.00 0.00 C ATOM 562 O SER B 2 -20.006 2.876 1.721 1.00 0.00 O ATOM 563 CB SER B 2 -22.513 1.161 2.126 1.00 0.00 C ATOM 564 OG SER B 2 -23.211 0.817 0.936 1.00 0.00 O ATOM 0 H SER B 2 -23.763 3.321 0.845 1.00 0.00 H new ATOM 0 HA SER B 2 -22.124 2.950 3.275 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.536 0.679 2.131 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.058 0.786 2.993 1.00 0.00 H new ATOM 0 HG SER B 2 -23.308 -0.157 0.883 1.00 0.00 H new ATOM 570 N MET B 3 -21.462 3.831 0.297 1.00 0.00 N ATOM 571 CA MET B 3 -20.460 4.156 -0.713 1.00 0.00 C ATOM 572 C MET B 3 -19.285 4.930 -0.128 1.00 0.00 C ATOM 573 O MET B 3 -18.145 4.489 -0.227 1.00 0.00 O ATOM 574 CB MET B 3 -21.084 4.956 -1.859 1.00 0.00 C ATOM 575 CG MET B 3 -22.128 4.182 -2.648 1.00 0.00 C ATOM 576 SD MET B 3 -21.463 2.693 -3.420 1.00 0.00 S ATOM 577 CE MET B 3 -20.266 3.394 -4.556 1.00 0.00 C ATOM 0 H MET B 3 -22.396 4.186 0.090 1.00 0.00 H new ATOM 0 HA MET B 3 -20.081 3.209 -1.097 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.543 5.857 -1.453 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.294 5.278 -2.537 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.947 3.906 -1.984 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.547 4.829 -3.419 1.00 0.00 H new ATOM 0 HE1 MET B 3 -19.995 2.649 -5.305 1.00 0.00 H new ATOM 0 HE2 MET B 3 -20.699 4.264 -5.050 1.00 0.00 H new ATOM 0 HE3 MET B 3 -19.375 3.695 -4.005 1.00 0.00 H new ATOM 587 N LYS B 4 -19.562 6.062 0.501 1.00 0.00 N ATOM 588 CA LYS B 4 -18.497 6.950 0.963 1.00 0.00 C ATOM 589 C LYS B 4 -17.720 6.364 2.147 1.00 0.00 C ATOM 590 O LYS B 4 -16.578 6.743 2.382 1.00 0.00 O ATOM 591 CB LYS B 4 -19.042 8.342 1.317 1.00 0.00 C ATOM 592 CG LYS B 4 -20.174 8.337 2.331 1.00 0.00 C ATOM 593 CD LYS B 4 -20.507 9.745 2.811 1.00 0.00 C ATOM 594 CE LYS B 4 -20.917 10.662 1.666 1.00 0.00 C ATOM 595 NZ LYS B 4 -22.139 10.183 0.966 1.00 0.00 N ATOM 0 H LYS B 4 -20.507 6.389 0.704 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.799 7.051 0.132 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -18.225 8.950 1.706 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -19.391 8.824 0.404 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -21.060 7.885 1.885 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -19.896 7.718 3.184 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.314 9.696 3.542 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -19.641 10.168 3.320 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -21.093 11.666 2.053 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -20.097 10.735 0.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -22.436 10.890 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -21.934 9.283 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -22.902 10.041 1.658 1.00 0.00 H new ATOM 609 N GLN B 5 -18.314 5.417 2.862 1.00 0.00 N ATOM 610 CA GLN B 5 -17.670 4.830 4.035 1.00 0.00 C ATOM 611 C GLN B 5 -16.798 3.671 3.603 1.00 0.00 C ATOM 612 O GLN B 5 -15.716 3.448 4.146 1.00 0.00 O ATOM 613 CB GLN B 5 -18.689 4.336 5.064 1.00 0.00 C ATOM 614 CG GLN B 5 -19.694 5.383 5.501 1.00 0.00 C ATOM 615 CD GLN B 5 -21.024 5.216 4.803 1.00 0.00 C ATOM 616 OE1 GLN B 5 -21.260 5.782 3.736 1.00 0.00 O ATOM 617 NE2 GLN B 5 -21.899 4.426 5.398 1.00 0.00 N ATOM 0 H GLN B 5 -19.238 5.038 2.653 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.069 5.608 4.506 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.227 3.486 4.645 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.154 3.974 5.942 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.840 5.318 6.579 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -19.297 6.376 5.292 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -21.662 3.977 6.282 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -22.812 4.265 4.973 1.00 0.00 H new ATOM 626 N LEU B 6 -17.286 2.922 2.630 1.00 0.00 N ATOM 627 CA LEU B 6 -16.492 1.884 2.006 1.00 0.00 C ATOM 628 C LEU B 6 -15.330 2.526 1.267 1.00 0.00 C ATOM 629 O LEU B 6 -14.184 2.107 1.412 1.00 0.00 O ATOM 630 CB LEU B 6 -17.344 1.054 1.044 1.00 0.00 C ATOM 631 CG LEU B 6 -18.061 -0.173 1.637 1.00 0.00 C ATOM 632 CD1 LEU B 6 -17.068 -1.286 1.949 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.841 0.198 2.891 1.00 0.00 C ATOM 0 H LEU B 6 -18.230 3.015 2.256 1.00 0.00 H new ATOM 0 HA LEU B 6 -16.109 1.213 2.775 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.097 1.709 0.605 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.704 0.714 0.230 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.766 -0.534 0.888 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.599 -2.141 2.367 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.559 -1.587 1.033 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.334 -0.927 2.671 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.336 -0.689 3.287 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.157 0.597 3.640 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.589 0.952 2.645 1.00 0.00 H new ATOM 645 N GLU B 7 -15.635 3.573 0.500 1.00 0.00 N ATOM 646 CA GLU B 7 -14.607 4.348 -0.181 1.00 0.00 C ATOM 647 C GLU B 7 -13.631 4.949 0.818 1.00 0.00 C ATOM 648 O GLU B 7 -12.446 5.092 0.516 1.00 0.00 O ATOM 649 CB GLU B 7 -15.221 5.461 -1.026 1.00 0.00 C ATOM 650 CG GLU B 7 -15.985 4.960 -2.236 1.00 0.00 C ATOM 651 CD GLU B 7 -16.533 6.092 -3.074 1.00 0.00 C ATOM 652 OE1 GLU B 7 -17.674 6.528 -2.813 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.821 6.546 -3.991 1.00 0.00 O ATOM 0 H GLU B 7 -16.587 3.901 0.337 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.070 3.665 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.893 6.050 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.428 6.130 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -15.328 4.342 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.806 4.323 -1.907 1.00 0.00 H new ATOM 660 N ASP B 8 -14.129 5.308 2.008 1.00 0.00 N ATOM 661 CA ASP B 8 -13.245 5.794 3.074 1.00 0.00 C ATOM 662 C ASP B 8 -12.163 4.767 3.385 1.00 0.00 C ATOM 663 O ASP B 8 -11.008 5.118 3.619 1.00 0.00 O ATOM 664 CB ASP B 8 -14.017 6.115 4.358 1.00 0.00 C ATOM 665 CG ASP B 8 -14.554 7.532 4.389 1.00 0.00 C ATOM 666 OD1 ASP B 8 -15.732 7.712 4.759 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.798 8.461 4.043 1.00 0.00 O ATOM 0 H ASP B 8 -15.118 5.273 2.254 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.787 6.713 2.709 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.847 5.416 4.461 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.363 5.962 5.216 1.00 0.00 H new ATOM 672 N LYS B 9 -12.544 3.497 3.381 1.00 0.00 N ATOM 673 CA LYS B 9 -11.612 2.412 3.662 1.00 0.00 C ATOM 674 C LYS B 9 -10.675 2.187 2.484 1.00 0.00 C ATOM 675 O LYS B 9 -9.473 1.983 2.671 1.00 0.00 O ATOM 676 CB LYS B 9 -12.374 1.121 3.970 1.00 0.00 C ATOM 677 CG LYS B 9 -13.323 1.236 5.152 1.00 0.00 C ATOM 678 CD LYS B 9 -12.585 1.501 6.456 1.00 0.00 C ATOM 679 CE LYS B 9 -11.759 0.301 6.898 1.00 0.00 C ATOM 680 NZ LYS B 9 -12.611 -0.881 7.200 1.00 0.00 N ATOM 0 H LYS B 9 -13.497 3.191 3.185 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.019 2.693 4.532 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -12.942 0.826 3.088 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.656 0.325 4.168 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.034 2.042 4.968 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.900 0.316 5.243 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -11.932 2.365 6.334 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -13.305 1.753 7.235 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -11.046 0.043 6.115 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -11.179 0.566 7.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -12.061 -1.575 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -13.437 -0.580 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -12.931 -1.315 6.311 1.00 0.00 H new ATOM 694 N VAL B 10 -11.230 2.234 1.277 1.00 0.00 N ATOM 695 CA VAL B 10 -10.451 2.023 0.061 1.00 0.00 C ATOM 696 C VAL B 10 -9.299 3.023 -0.015 1.00 0.00 C ATOM 697 O VAL B 10 -8.130 2.643 -0.038 1.00 0.00 O ATOM 698 CB VAL B 10 -11.306 2.177 -1.219 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.540 1.684 -2.430 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.630 1.442 -1.114 1.00 0.00 C ATOM 0 H VAL B 10 -12.220 2.417 1.114 1.00 0.00 H new ATOM 0 HA VAL B 10 -10.074 1.002 0.111 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.523 3.239 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.156 1.799 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.625 2.265 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.287 0.632 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.196 1.579 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.445 0.380 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.201 1.839 -0.275 1.00 0.00 H new ATOM 710 N GLU B 11 -9.642 4.308 -0.013 1.00 0.00 N ATOM 711 CA GLU B 11 -8.651 5.365 -0.178 1.00 0.00 C ATOM 712 C GLU B 11 -7.753 5.483 1.056 1.00 0.00 C ATOM 713 O GLU B 11 -6.692 6.100 1.000 1.00 0.00 O ATOM 714 CB GLU B 11 -9.335 6.705 -0.458 1.00 0.00 C ATOM 715 CG GLU B 11 -10.211 7.194 0.681 1.00 0.00 C ATOM 716 CD GLU B 11 -10.869 8.523 0.380 1.00 0.00 C ATOM 717 OE1 GLU B 11 -11.992 8.520 -0.166 1.00 0.00 O ATOM 718 OE2 GLU B 11 -10.262 9.569 0.694 1.00 0.00 O ATOM 0 H GLU B 11 -10.599 4.642 0.101 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.026 5.101 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -8.572 7.455 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -9.943 6.611 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -10.981 6.450 0.888 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -9.608 7.288 1.584 1.00 0.00 H new ATOM 725 N GLU B 12 -8.179 4.894 2.169 1.00 0.00 N ATOM 726 CA GLU B 12 -7.361 4.879 3.372 1.00 0.00 C ATOM 727 C GLU B 12 -6.148 3.994 3.127 1.00 0.00 C ATOM 728 O GLU B 12 -5.020 4.342 3.475 1.00 0.00 O ATOM 729 CB GLU B 12 -8.164 4.357 4.570 1.00 0.00 C ATOM 730 CG GLU B 12 -7.858 5.065 5.886 1.00 0.00 C ATOM 731 CD GLU B 12 -6.390 5.020 6.267 1.00 0.00 C ATOM 732 OE1 GLU B 12 -5.662 5.976 5.929 1.00 0.00 O ATOM 733 OE2 GLU B 12 -5.971 4.029 6.902 1.00 0.00 O ATOM 0 H GLU B 12 -9.080 4.424 2.261 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.040 5.895 3.602 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.227 4.461 4.353 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -7.966 3.292 4.689 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.175 6.105 5.813 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.446 4.608 6.681 1.00 0.00 H new ATOM 740 N LEU B 13 -6.396 2.848 2.513 1.00 0.00 N ATOM 741 CA LEU B 13 -5.328 1.947 2.117 1.00 0.00 C ATOM 742 C LEU B 13 -4.579 2.516 0.921 1.00 0.00 C ATOM 743 O LEU B 13 -3.384 2.268 0.748 1.00 0.00 O ATOM 744 CB LEU B 13 -5.902 0.574 1.783 1.00 0.00 C ATOM 745 CG LEU B 13 -6.714 -0.070 2.906 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.261 -1.407 2.455 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.868 -0.235 4.159 1.00 0.00 C ATOM 0 H LEU B 13 -7.333 2.520 2.278 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.627 1.841 2.945 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.536 0.665 0.901 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.082 -0.093 1.518 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.550 0.587 3.147 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.838 -1.856 3.264 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.905 -1.263 1.587 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.435 -2.067 2.189 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.467 -0.695 4.945 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -5.010 -0.870 3.938 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.519 0.742 4.494 1.00 0.00 H new ATOM 759 N LEU B 14 -5.292 3.287 0.105 1.00 0.00 N ATOM 760 CA LEU B 14 -4.701 3.982 -1.032 1.00 0.00 C ATOM 761 C LEU B 14 -3.675 4.998 -0.550 1.00 0.00 C ATOM 762 O LEU B 14 -2.656 5.236 -1.200 1.00 0.00 O ATOM 763 CB LEU B 14 -5.789 4.702 -1.824 1.00 0.00 C ATOM 764 CG LEU B 14 -5.394 5.125 -3.237 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.137 3.901 -4.096 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.478 5.991 -3.858 1.00 0.00 C ATOM 0 H LEU B 14 -6.294 3.447 0.214 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.209 3.249 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.661 4.051 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.094 5.589 -1.268 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.477 5.712 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.856 4.215 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.329 3.314 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.041 3.294 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.179 6.283 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.410 5.428 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.623 6.884 -3.250 1.00 0.00 H new ATOM 778 N SER B 15 -3.968 5.593 0.596 1.00 0.00 N ATOM 779 CA SER B 15 -3.077 6.540 1.233 1.00 0.00 C ATOM 780 C SER B 15 -1.823 5.813 1.678 1.00 0.00 C ATOM 781 O SER B 15 -0.717 6.349 1.594 1.00 0.00 O ATOM 782 CB SER B 15 -3.771 7.207 2.427 1.00 0.00 C ATOM 783 OG SER B 15 -2.987 8.263 2.965 1.00 0.00 O ATOM 0 H SER B 15 -4.834 5.430 1.109 1.00 0.00 H new ATOM 0 HA SER B 15 -2.807 7.323 0.524 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.740 7.596 2.115 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.960 6.463 3.201 1.00 0.00 H new ATOM 0 HG SER B 15 -3.459 8.667 3.723 1.00 0.00 H new ATOM 789 N LYS B 16 -1.989 4.574 2.132 1.00 0.00 N ATOM 790 CA LYS B 16 -0.840 3.758 2.449 1.00 0.00 C ATOM 791 C LYS B 16 -0.112 3.389 1.170 1.00 0.00 C ATOM 792 O LYS B 16 1.089 3.463 1.129 1.00 0.00 O ATOM 793 CB LYS B 16 -1.192 2.502 3.250 1.00 0.00 C ATOM 794 CG LYS B 16 -1.817 2.792 4.604 1.00 0.00 C ATOM 795 CD LYS B 16 -1.704 1.598 5.543 1.00 0.00 C ATOM 796 CE LYS B 16 -2.238 0.321 4.912 1.00 0.00 C ATOM 797 NZ LYS B 16 -2.251 -0.806 5.877 1.00 0.00 N ATOM 0 H LYS B 16 -2.893 4.127 2.284 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.190 4.352 3.091 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -1.881 1.891 2.666 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -0.288 1.911 3.397 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -1.328 3.656 5.053 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -2.867 3.053 4.472 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.660 1.455 5.822 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -2.254 1.806 6.461 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -3.248 0.494 4.541 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.623 0.056 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -2.621 -1.658 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.283 -0.987 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -2.858 -0.563 6.686 1.00 0.00 H new ATOM 811 N ASN B 17 -0.838 3.037 0.108 1.00 0.00 N ATOM 812 CA ASN B 17 -0.197 2.768 -1.183 1.00 0.00 C ATOM 813 C ASN B 17 0.641 3.970 -1.574 1.00 0.00 C ATOM 814 O ASN B 17 1.722 3.826 -2.136 1.00 0.00 O ATOM 815 CB ASN B 17 -1.234 2.531 -2.290 1.00 0.00 C ATOM 816 CG ASN B 17 -2.154 1.356 -2.045 1.00 0.00 C ATOM 817 OD1 ASN B 17 -3.323 1.397 -2.407 1.00 0.00 O ATOM 818 ND2 ASN B 17 -1.638 0.288 -1.471 1.00 0.00 N ATOM 0 H ASN B 17 -1.853 2.932 0.113 1.00 0.00 H new ATOM 0 HA ASN B 17 0.414 1.872 -1.076 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -1.838 3.431 -2.404 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.711 2.376 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -2.217 -0.538 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.660 0.287 -1.181 1.00 0.00 H new ATOM 825 N TYR B 18 0.128 5.161 -1.274 1.00 0.00 N ATOM 826 CA TYR B 18 0.866 6.386 -1.540 1.00 0.00 C ATOM 827 C TYR B 18 2.134 6.451 -0.683 1.00 0.00 C ATOM 828 O TYR B 18 3.247 6.415 -1.204 1.00 0.00 O ATOM 829 CB TYR B 18 -0.021 7.610 -1.281 1.00 0.00 C ATOM 830 CG TYR B 18 0.668 8.933 -1.535 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.123 9.713 -0.480 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.861 9.400 -2.827 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.755 10.919 -0.707 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.492 10.606 -3.062 1.00 0.00 C ATOM 835 CZ TYR B 18 1.936 11.362 -1.998 1.00 0.00 C ATOM 836 OH TYR B 18 2.570 12.564 -2.226 1.00 0.00 O ATOM 0 H TYR B 18 -0.789 5.300 -0.850 1.00 0.00 H new ATOM 0 HA TYR B 18 1.163 6.388 -2.589 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.906 7.545 -1.914 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.366 7.584 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.980 9.371 0.534 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.512 8.811 -3.662 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.106 11.512 0.124 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.637 10.955 -4.074 1.00 0.00 H new ATOM 0 HH TYR B 18 2.618 12.730 -3.191 1.00 0.00 H new ATOM 846 N HIS B 19 1.954 6.495 0.635 1.00 0.00 N ATOM 847 CA HIS B 19 3.070 6.675 1.567 1.00 0.00 C ATOM 848 C HIS B 19 4.029 5.485 1.554 1.00 0.00 C ATOM 849 O HIS B 19 5.246 5.657 1.613 1.00 0.00 O ATOM 850 CB HIS B 19 2.550 6.898 2.991 1.00 0.00 C ATOM 851 CG HIS B 19 1.897 8.231 3.207 1.00 0.00 C ATOM 852 ND1 HIS B 19 2.493 9.254 3.913 1.00 0.00 N ATOM 853 CD2 HIS B 19 0.691 8.704 2.816 1.00 0.00 C ATOM 854 CE1 HIS B 19 1.682 10.295 3.946 1.00 0.00 C ATOM 855 NE2 HIS B 19 0.582 9.987 3.286 1.00 0.00 N ATOM 0 H HIS B 19 1.043 6.408 1.085 1.00 0.00 H new ATOM 0 HA HIS B 19 3.621 7.555 1.236 1.00 0.00 H new ATOM 0 HB2 HIS B 19 1.834 6.112 3.231 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.381 6.796 3.689 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -0.049 8.169 2.240 1.00 0.00 H new ATOM 0 HE1 HIS B 19 1.885 11.239 4.431 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.219 10.603 3.148 1.00 0.00 H new ATOM 864 N LEU B 20 3.476 4.284 1.461 1.00 0.00 N ATOM 865 CA LEU B 20 4.235 3.063 1.520 1.00 0.00 C ATOM 866 C LEU B 20 5.087 2.899 0.257 1.00 0.00 C ATOM 867 O LEU B 20 6.202 2.386 0.313 1.00 0.00 O ATOM 868 CB LEU B 20 3.254 1.894 1.722 1.00 0.00 C ATOM 869 CG LEU B 20 3.871 0.536 1.827 1.00 0.00 C ATOM 870 CD1 LEU B 20 4.923 0.521 2.908 1.00 0.00 C ATOM 871 CD2 LEU B 20 2.828 -0.525 2.105 1.00 0.00 C ATOM 0 H LEU B 20 2.474 4.139 1.341 1.00 0.00 H new ATOM 0 HA LEU B 20 4.931 3.083 2.359 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.677 2.081 2.628 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.549 1.889 0.891 1.00 0.00 H new ATOM 0 HG LEU B 20 4.338 0.308 0.869 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.364 -0.474 2.973 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.700 1.247 2.670 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.466 0.779 3.864 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.310 -1.500 2.175 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.323 -0.301 3.045 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.098 -0.539 1.295 1.00 0.00 H new ATOM 883 N GLU B 21 4.572 3.368 -0.876 1.00 0.00 N ATOM 884 CA GLU B 21 5.339 3.359 -2.114 1.00 0.00 C ATOM 885 C GLU B 21 6.379 4.469 -2.093 1.00 0.00 C ATOM 886 O GLU B 21 7.459 4.328 -2.668 1.00 0.00 O ATOM 887 CB GLU B 21 4.430 3.506 -3.339 1.00 0.00 C ATOM 888 CG GLU B 21 5.111 3.120 -4.640 1.00 0.00 C ATOM 889 CD GLU B 21 4.215 3.304 -5.848 1.00 0.00 C ATOM 890 OE1 GLU B 21 3.546 2.328 -6.246 1.00 0.00 O ATOM 891 OE2 GLU B 21 4.182 4.425 -6.397 1.00 0.00 O ATOM 0 H GLU B 21 3.633 3.756 -0.961 1.00 0.00 H new ATOM 0 HA GLU B 21 5.844 2.396 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.544 2.886 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.088 4.539 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.011 3.721 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.428 2.079 -4.584 1.00 0.00 H new ATOM 898 N ASN B 22 6.058 5.570 -1.417 1.00 0.00 N ATOM 899 CA ASN B 22 7.029 6.635 -1.201 1.00 0.00 C ATOM 900 C ASN B 22 8.205 6.098 -0.403 1.00 0.00 C ATOM 901 O ASN B 22 9.345 6.531 -0.586 1.00 0.00 O ATOM 902 CB ASN B 22 6.407 7.826 -0.464 1.00 0.00 C ATOM 903 CG ASN B 22 5.402 8.598 -1.300 1.00 0.00 C ATOM 904 OD1 ASN B 22 4.441 9.153 -0.770 1.00 0.00 O ATOM 905 ND2 ASN B 22 5.621 8.657 -2.605 1.00 0.00 N ATOM 0 H ASN B 22 5.138 5.746 -1.012 1.00 0.00 H new ATOM 0 HA ASN B 22 7.368 6.984 -2.176 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.916 7.467 0.440 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.201 8.503 -0.148 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.981 9.176 -3.207 1.00 0.00 H new ATOM 0 HD22 ASN B 22 6.429 8.184 -3.008 1.00 0.00 H new ATOM 912 N GLU B 23 7.920 5.143 0.479 1.00 0.00 N ATOM 913 CA GLU B 23 8.965 4.472 1.235 1.00 0.00 C ATOM 914 C GLU B 23 9.791 3.592 0.304 1.00 0.00 C ATOM 915 O GLU B 23 11.018 3.684 0.279 1.00 0.00 O ATOM 916 CB GLU B 23 8.371 3.621 2.363 1.00 0.00 C ATOM 917 CG GLU B 23 7.502 4.401 3.337 1.00 0.00 C ATOM 918 CD GLU B 23 8.239 5.550 3.998 1.00 0.00 C ATOM 919 OE1 GLU B 23 8.943 5.306 5.000 1.00 0.00 O ATOM 920 OE2 GLU B 23 8.104 6.695 3.517 1.00 0.00 O ATOM 0 H GLU B 23 6.975 4.819 0.685 1.00 0.00 H new ATOM 0 HA GLU B 23 9.605 5.233 1.683 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.777 2.819 1.925 1.00 0.00 H new ATOM 0 HB3 GLU B 23 9.184 3.150 2.915 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.632 4.791 2.808 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.130 3.724 4.106 1.00 0.00 H new ATOM 927 N VAL B 24 9.103 2.759 -0.479 1.00 0.00 N ATOM 928 CA VAL B 24 9.767 1.851 -1.411 1.00 0.00 C ATOM 929 C VAL B 24 10.692 2.609 -2.358 1.00 0.00 C ATOM 930 O VAL B 24 11.863 2.263 -2.506 1.00 0.00 O ATOM 931 CB VAL B 24 8.757 1.039 -2.260 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.484 0.195 -3.293 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.925 0.144 -1.384 1.00 0.00 C ATOM 0 H VAL B 24 8.085 2.696 -0.485 1.00 0.00 H new ATOM 0 HA VAL B 24 10.346 1.162 -0.796 1.00 0.00 H new ATOM 0 HB VAL B 24 8.104 1.748 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.758 -0.368 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.059 0.844 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.158 -0.497 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.222 -0.417 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.575 -0.550 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.374 0.749 -0.665 1.00 0.00 H new ATOM 943 N ALA B 25 10.156 3.652 -2.985 1.00 0.00 N ATOM 944 CA ALA B 25 10.898 4.423 -3.978 1.00 0.00 C ATOM 945 C ALA B 25 12.188 4.991 -3.393 1.00 0.00 C ATOM 946 O ALA B 25 13.243 4.956 -4.034 1.00 0.00 O ATOM 947 CB ALA B 25 10.028 5.544 -4.527 1.00 0.00 C ATOM 0 H ALA B 25 9.205 3.984 -2.822 1.00 0.00 H new ATOM 0 HA ALA B 25 11.170 3.751 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.591 6.113 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.140 5.119 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.729 6.204 -3.713 1.00 0.00 H new ATOM 953 N ARG B 26 12.099 5.498 -2.170 1.00 0.00 N ATOM 954 CA ARG B 26 13.252 6.070 -1.496 1.00 0.00 C ATOM 955 C ARG B 26 14.283 4.985 -1.206 1.00 0.00 C ATOM 956 O ARG B 26 15.454 5.113 -1.562 1.00 0.00 O ATOM 957 CB ARG B 26 12.819 6.750 -0.192 1.00 0.00 C ATOM 958 CG ARG B 26 13.936 7.494 0.529 1.00 0.00 C ATOM 959 CD ARG B 26 14.232 8.852 -0.102 1.00 0.00 C ATOM 960 NE ARG B 26 14.774 8.747 -1.460 1.00 0.00 N ATOM 961 CZ ARG B 26 15.994 9.158 -1.810 1.00 0.00 C ATOM 962 NH1 ARG B 26 16.809 9.685 -0.902 1.00 0.00 N ATOM 963 NH2 ARG B 26 16.396 9.043 -3.069 1.00 0.00 N ATOM 0 H ARG B 26 11.237 5.524 -1.625 1.00 0.00 H new ATOM 0 HA ARG B 26 13.704 6.818 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.014 7.451 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.409 5.995 0.479 1.00 0.00 H new ATOM 0 HG2 ARG B 26 13.660 7.634 1.574 1.00 0.00 H new ATOM 0 HG3 ARG B 26 14.841 6.886 0.517 1.00 0.00 H new ATOM 0 HD2 ARG B 26 13.316 9.442 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG B 26 14.941 9.391 0.526 1.00 0.00 H new ATOM 0 HE ARG B 26 14.182 8.335 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG B 26 16.502 9.776 0.067 1.00 0.00 H new ATOM 0 HH12 ARG B 26 17.741 9.998 -1.174 1.00 0.00 H new ATOM 0 HH21 ARG B 26 15.772 8.641 -3.769 1.00 0.00 H new ATOM 0 HH22 ARG B 26 17.329 9.357 -3.337 1.00 0.00 H new ATOM 977 N LEU B 27 13.825 3.906 -0.586 1.00 0.00 N ATOM 978 CA LEU B 27 14.695 2.793 -0.221 1.00 0.00 C ATOM 979 C LEU B 27 15.357 2.185 -1.454 1.00 0.00 C ATOM 980 O LEU B 27 16.549 1.884 -1.444 1.00 0.00 O ATOM 981 CB LEU B 27 13.897 1.701 0.499 1.00 0.00 C ATOM 982 CG LEU B 27 13.626 1.899 2.001 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.333 3.351 2.346 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.463 1.018 2.428 1.00 0.00 C ATOM 0 H LEU B 27 12.848 3.776 -0.323 1.00 0.00 H new ATOM 0 HA LEU B 27 15.465 3.186 0.442 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.937 1.596 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.428 0.757 0.374 1.00 0.00 H new ATOM 0 HG LEU B 27 14.529 1.614 2.542 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.148 3.440 3.417 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.188 3.970 2.072 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.453 3.685 1.797 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.271 1.159 3.492 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.573 1.290 1.860 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.709 -0.027 2.239 1.00 0.00 H new ATOM 996 N LYS B 28 14.578 2.022 -2.516 1.00 0.00 N ATOM 997 CA LYS B 28 15.048 1.359 -3.727 1.00 0.00 C ATOM 998 C LYS B 28 16.178 2.148 -4.387 1.00 0.00 C ATOM 999 O LYS B 28 16.996 1.585 -5.114 1.00 0.00 O ATOM 1000 CB LYS B 28 13.887 1.170 -4.707 1.00 0.00 C ATOM 1001 CG LYS B 28 14.138 0.106 -5.765 1.00 0.00 C ATOM 1002 CD LYS B 28 14.502 -1.225 -5.129 1.00 0.00 C ATOM 1003 CE LYS B 28 14.376 -2.376 -6.110 1.00 0.00 C ATOM 1004 NZ LYS B 28 15.232 -2.192 -7.312 1.00 0.00 N ATOM 0 H LYS B 28 13.611 2.342 -2.563 1.00 0.00 H new ATOM 0 HA LYS B 28 15.441 0.381 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS B 28 12.991 0.906 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.685 2.120 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.248 -0.014 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS B 28 14.943 0.429 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS B 28 15.524 -1.180 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.854 -1.407 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS B 28 14.649 -3.306 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS B 28 13.335 -2.474 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 15.217 -3.060 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 14.871 -1.397 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 16.208 -1.990 -7.015 1.00 0.00 H new ATOM 1018 N LYS B 29 16.220 3.449 -4.135 1.00 0.00 N ATOM 1019 CA LYS B 29 17.304 4.284 -4.637 1.00 0.00 C ATOM 1020 C LYS B 29 18.590 4.013 -3.856 1.00 0.00 C ATOM 1021 O LYS B 29 19.680 3.949 -4.427 1.00 0.00 O ATOM 1022 CB LYS B 29 16.925 5.765 -4.539 1.00 0.00 C ATOM 1023 CG LYS B 29 18.035 6.713 -4.965 1.00 0.00 C ATOM 1024 CD LYS B 29 18.437 6.491 -6.413 1.00 0.00 C ATOM 1025 CE LYS B 29 19.616 7.365 -6.800 1.00 0.00 C ATOM 1026 NZ LYS B 29 20.044 7.130 -8.204 1.00 0.00 N ATOM 0 H LYS B 29 15.519 3.948 -3.588 1.00 0.00 H new ATOM 0 HA LYS B 29 17.475 4.037 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.047 5.947 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.642 5.991 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.705 7.743 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.902 6.571 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.694 5.443 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.591 6.709 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS B 29 19.347 8.414 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS B 29 20.451 7.166 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 20.851 7.746 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 20.325 6.135 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 19.256 7.344 -8.848 1.00 0.00 H new ATOM 1040 N LEU B 30 18.444 3.823 -2.554 1.00 0.00 N ATOM 1041 CA LEU B 30 19.583 3.564 -1.679 1.00 0.00 C ATOM 1042 C LEU B 30 20.082 2.133 -1.861 1.00 0.00 C ATOM 1043 O LEU B 30 21.277 1.863 -1.746 1.00 0.00 O ATOM 1044 CB LEU B 30 19.217 3.825 -0.212 1.00 0.00 C ATOM 1045 CG LEU B 30 19.226 5.300 0.222 1.00 0.00 C ATOM 1046 CD1 LEU B 30 18.162 6.102 -0.509 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.033 5.414 1.725 1.00 0.00 C ATOM 0 H LEU B 30 17.544 3.843 -2.075 1.00 0.00 H new ATOM 0 HA LEU B 30 20.386 4.248 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.224 3.416 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.913 3.274 0.421 1.00 0.00 H new ATOM 0 HG LEU B 30 20.198 5.716 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU B 30 18.197 7.140 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.346 6.057 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.179 5.685 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU B 30 19.042 6.465 2.014 1.00 0.00 H new ATOM 0 HD22 LEU B 30 18.078 4.969 2.004 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.840 4.890 2.236 1.00 0.00 H new ATOM 1059 N VAL B 31 19.163 1.221 -2.148 1.00 0.00 N ATOM 1060 CA VAL B 31 19.532 -0.139 -2.526 1.00 0.00 C ATOM 1061 C VAL B 31 20.095 -0.116 -3.942 1.00 0.00 C ATOM 1062 O VAL B 31 20.866 -0.985 -4.348 1.00 0.00 O ATOM 1063 CB VAL B 31 18.320 -1.099 -2.469 1.00 0.00 C ATOM 1064 CG1 VAL B 31 18.726 -2.515 -2.844 1.00 0.00 C ATOM 1065 CG2 VAL B 31 17.684 -1.084 -1.089 1.00 0.00 C ATOM 0 H VAL B 31 18.158 1.396 -2.127 1.00 0.00 H new ATOM 0 HA VAL B 31 20.277 -0.504 -1.819 1.00 0.00 H new ATOM 0 HB VAL B 31 17.586 -0.749 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL B 31 17.855 -3.168 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.129 -2.522 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL B 31 19.486 -2.872 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL B 31 16.834 -1.766 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.417 -1.400 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.344 -0.075 -0.856 1.00 0.00 H new ATOM 1075 N GLY B 32 19.693 0.907 -4.682 1.00 0.00 N ATOM 1076 CA GLY B 32 20.163 1.102 -6.031 1.00 0.00 C ATOM 1077 C GLY B 32 21.649 1.377 -6.090 1.00 0.00 C ATOM 1078 O GLY B 32 22.379 0.717 -6.831 1.00 0.00 O ATOM 0 H GLY B 32 19.036 1.617 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.937 0.215 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.624 1.934 -6.484 1.00 0.00 H new ATOM 1082 N GLU B 33 22.096 2.352 -5.314 1.00 0.00 N ATOM 1083 CA GLU B 33 23.500 2.716 -5.281 1.00 0.00 C ATOM 1084 C GLU B 33 24.037 2.615 -3.856 1.00 0.00 C ATOM 1085 O GLU B 33 24.549 1.536 -3.491 1.00 0.00 O ATOM 1086 CB GLU B 33 23.694 4.135 -5.828 1.00 0.00 C ATOM 1087 CG GLU B 33 25.153 4.538 -5.967 1.00 0.00 C ATOM 1088 CD GLU B 33 25.326 5.965 -6.449 1.00 0.00 C ATOM 1089 OE1 GLU B 33 25.335 6.178 -7.678 1.00 0.00 O ATOM 1090 OE2 GLU B 33 25.454 6.868 -5.596 1.00 0.00 O ATOM 1091 OXT GLU B 33 23.938 3.607 -3.104 1.00 0.00 O ATOM 0 H GLU B 33 21.502 2.906 -4.697 1.00 0.00 H new ATOM 0 HA GLU B 33 24.057 2.023 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU B 33 23.211 4.209 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.191 4.842 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU B 33 25.650 4.422 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU B 33 25.647 3.862 -6.664 1.00 0.00 H new TER 1098 GLU B 33