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 1 GLY N :NH3+ -172:sc= 1.14 (180deg=0) USER MOD Set 1.2: B 5 GLN : amide:sc= 0.979 K(o=2.1,f=-6.2!) USER MOD Set 2.1: A 17 ASN : amide:sc= -3.84! C(o=-7.6!,f=-8.7!) USER MOD Set 2.2: B 17 ASN : amide:sc= -3.76! C(o=-7.6!,f=-8.8!) USER MOD Set 3.1: A 2 SER OG : rot 171:sc= 0.0175 USER MOD Set 3.2: B 2 SER OG : rot 171:sc= 0.0169 USER MOD Set 4.1: A 1 GLY N :NH3+ -171:sc= 1.19 (180deg=0) USER MOD Set 4.2: A 5 GLN : amide:sc= 1.01 K(o=2.2,f=-6.2!) USER MOD Single : A 3 MET CE :methyl 159:sc= -0.124 (180deg=-0.719) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -127:sc= -0.0252 (180deg=-0.216) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= -0.0161 (180deg=-0.0511) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc=-0.00626 X(o=-0.0063,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0226 F(o=-1.7!,f=-0.023) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc=-0.00911 (180deg=-0.147) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.0524 (180deg=-0.33) USER MOD Single : B 3 MET CE :methyl 157:sc= -0.145 (180deg=-0.705) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ -126:sc= -0.0139 (180deg=-0.171) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 175:sc= -0.0111 (180deg=-0.0388) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc=-0.00563 X(o=-0.0056,f=0) USER MOD Single : B 22 ASN :FLIP amide:sc= -0.0173 F(o=-1.7!,f=-0.017) USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= -0.0108 (180deg=-0.16) USER MOD Single : B 29 LYS NZ :NH3+ 166:sc= -0.0467 (180deg=-0.295) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.144 -5.554 -5.420 1.00 0.00 N ATOM 2 CA GLY A 1 -23.504 -4.380 -4.592 1.00 0.00 C ATOM 3 C GLY A 1 -22.278 -3.715 -4.008 1.00 0.00 C ATOM 4 O GLY A 1 -21.217 -4.336 -3.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.987 -5.894 -5.926 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.413 -5.282 -6.108 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.779 -6.312 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.055 -3.661 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.168 -4.692 -3.786 1.00 0.00 H new ATOM 10 N SER A 2 -22.427 -2.461 -3.601 1.00 0.00 N ATOM 11 CA SER A 2 -21.320 -1.668 -3.082 1.00 0.00 C ATOM 12 C SER A 2 -20.595 -2.370 -1.935 1.00 0.00 C ATOM 13 O SER A 2 -19.371 -2.362 -1.876 1.00 0.00 O ATOM 14 CB SER A 2 -21.843 -0.310 -2.613 1.00 0.00 C ATOM 15 OG SER A 2 -23.053 -0.467 -1.889 1.00 0.00 O ATOM 0 H SER A 2 -23.318 -1.965 -3.621 1.00 0.00 H new ATOM 0 HA SER A 2 -20.599 -1.535 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.097 0.177 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.008 0.339 -3.473 1.00 0.00 H new ATOM 0 HG SER A 2 -23.298 0.386 -1.473 1.00 0.00 H new ATOM 21 N MET A 3 -21.353 -2.999 -1.047 1.00 0.00 N ATOM 22 CA MET A 3 -20.788 -3.572 0.170 1.00 0.00 C ATOM 23 C MET A 3 -19.650 -4.549 -0.123 1.00 0.00 C ATOM 24 O MET A 3 -18.578 -4.448 0.469 1.00 0.00 O ATOM 25 CB MET A 3 -21.871 -4.250 1.007 1.00 0.00 C ATOM 26 CG MET A 3 -22.938 -3.289 1.506 1.00 0.00 C ATOM 27 SD MET A 3 -24.078 -4.054 2.670 1.00 0.00 S ATOM 28 CE MET A 3 -22.979 -4.358 4.049 1.00 0.00 C ATOM 0 H MET A 3 -22.360 -3.126 -1.145 1.00 0.00 H new ATOM 0 HA MET A 3 -20.367 -2.745 0.742 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.345 -5.030 0.411 1.00 0.00 H new ATOM 0 HB3 MET A 3 -21.405 -4.740 1.862 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.457 -2.436 1.984 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.499 -2.903 0.655 1.00 0.00 H new ATOM 0 HE1 MET A 3 -23.564 -4.473 4.962 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.409 -5.269 3.866 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.294 -3.518 4.160 1.00 0.00 H new ATOM 38 N LYS A 4 -19.866 -5.467 -1.051 1.00 0.00 N ATOM 39 CA LYS A 4 -18.868 -6.493 -1.343 1.00 0.00 C ATOM 40 C LYS A 4 -17.877 -6.030 -2.408 1.00 0.00 C ATOM 41 O LYS A 4 -16.749 -6.506 -2.463 1.00 0.00 O ATOM 42 CB LYS A 4 -19.554 -7.781 -1.800 1.00 0.00 C ATOM 43 CG LYS A 4 -20.517 -8.364 -0.774 1.00 0.00 C ATOM 44 CD LYS A 4 -19.804 -8.790 0.503 1.00 0.00 C ATOM 45 CE LYS A 4 -18.819 -9.922 0.248 1.00 0.00 C ATOM 46 NZ LYS A 4 -18.154 -10.370 1.500 1.00 0.00 N ATOM 0 H LYS A 4 -20.715 -5.526 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.312 -6.681 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.098 -7.583 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.792 -8.525 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -21.281 -7.625 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -21.030 -9.223 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.275 -7.936 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.540 -9.108 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.342 -10.763 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.064 -9.593 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.491 -11.142 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.633 -9.574 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.872 -10.708 2.172 1.00 0.00 H new ATOM 60 N GLN A 5 -18.287 -5.072 -3.220 1.00 0.00 N ATOM 61 CA GLN A 5 -17.496 -4.648 -4.367 1.00 0.00 C ATOM 62 C GLN A 5 -16.529 -3.549 -3.969 1.00 0.00 C ATOM 63 O GLN A 5 -15.382 -3.535 -4.413 1.00 0.00 O ATOM 64 CB GLN A 5 -18.397 -4.168 -5.506 1.00 0.00 C ATOM 65 CG GLN A 5 -19.241 -5.271 -6.125 1.00 0.00 C ATOM 66 CD GLN A 5 -20.094 -4.775 -7.276 1.00 0.00 C ATOM 67 OE1 GLN A 5 -21.234 -4.350 -7.086 1.00 0.00 O ATOM 68 NE2 GLN A 5 -19.549 -4.828 -8.480 1.00 0.00 N ATOM 0 H GLN A 5 -19.167 -4.569 -3.107 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.926 -5.508 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.056 -3.386 -5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.778 -3.718 -6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.588 -6.068 -6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.886 -5.703 -5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.601 -5.187 -8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.076 -4.510 -9.293 1.00 0.00 H new ATOM 77 N LEU A 6 -16.992 -2.634 -3.130 1.00 0.00 N ATOM 78 CA LEU A 6 -16.132 -1.587 -2.611 1.00 0.00 C ATOM 79 C LEU A 6 -15.191 -2.187 -1.586 1.00 0.00 C ATOM 80 O LEU A 6 -14.017 -1.831 -1.528 1.00 0.00 O ATOM 81 CB LEU A 6 -16.946 -0.450 -1.991 1.00 0.00 C ATOM 82 CG LEU A 6 -17.999 0.175 -2.908 1.00 0.00 C ATOM 83 CD1 LEU A 6 -18.594 1.412 -2.269 1.00 0.00 C ATOM 84 CD2 LEU A 6 -17.409 0.509 -4.271 1.00 0.00 C ATOM 0 H LEU A 6 -17.955 -2.597 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.559 -1.161 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.444 -0.827 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.259 0.332 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.794 -0.556 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.341 1.843 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.064 1.143 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -17.806 2.143 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.179 0.952 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -16.589 1.217 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.036 -0.402 -4.739 1.00 0.00 H new ATOM 96 N GLU A 7 -15.710 -3.120 -0.790 1.00 0.00 N ATOM 97 CA GLU A 7 -14.869 -3.879 0.122 1.00 0.00 C ATOM 98 C GLU A 7 -13.830 -4.666 -0.666 1.00 0.00 C ATOM 99 O GLU A 7 -12.679 -4.781 -0.242 1.00 0.00 O ATOM 100 CB GLU A 7 -15.706 -4.825 0.980 1.00 0.00 C ATOM 101 CG GLU A 7 -14.920 -5.508 2.088 1.00 0.00 C ATOM 102 CD GLU A 7 -14.299 -4.521 3.058 1.00 0.00 C ATOM 103 OE1 GLU A 7 -13.095 -4.222 2.913 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.020 -4.038 3.956 1.00 0.00 O ATOM 0 H GLU A 7 -16.700 -3.364 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.363 -3.179 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.529 -4.265 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.148 -5.587 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.580 -6.182 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.134 -6.121 1.646 1.00 0.00 H new ATOM 111 N ASP A 8 -14.233 -5.205 -1.820 1.00 0.00 N ATOM 112 CA ASP A 8 -13.277 -5.886 -2.695 1.00 0.00 C ATOM 113 C ASP A 8 -12.193 -4.929 -3.179 1.00 0.00 C ATOM 114 O ASP A 8 -11.047 -5.332 -3.367 1.00 0.00 O ATOM 115 CB ASP A 8 -13.962 -6.533 -3.896 1.00 0.00 C ATOM 116 CG ASP A 8 -14.113 -8.032 -3.731 1.00 0.00 C ATOM 117 OD1 ASP A 8 -15.253 -8.501 -3.551 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.083 -8.737 -3.778 1.00 0.00 O ATOM 0 H ASP A 8 -15.193 -5.184 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.817 -6.674 -2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.945 -6.084 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.385 -6.325 -4.797 1.00 0.00 H new ATOM 123 N LYS A 9 -12.553 -3.665 -3.373 1.00 0.00 N ATOM 124 CA LYS A 9 -11.587 -2.657 -3.800 1.00 0.00 C ATOM 125 C LYS A 9 -10.563 -2.403 -2.703 1.00 0.00 C ATOM 126 O LYS A 9 -9.364 -2.324 -2.971 1.00 0.00 O ATOM 127 CB LYS A 9 -12.287 -1.347 -4.175 1.00 0.00 C ATOM 128 CG LYS A 9 -13.269 -1.485 -5.326 1.00 0.00 C ATOM 129 CD LYS A 9 -12.591 -2.002 -6.585 1.00 0.00 C ATOM 130 CE LYS A 9 -13.592 -2.225 -7.703 1.00 0.00 C ATOM 131 NZ LYS A 9 -14.626 -3.228 -7.333 1.00 0.00 N ATOM 0 H LYS A 9 -13.502 -3.314 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.075 -3.038 -4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.816 -0.966 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.533 -0.606 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.072 -2.164 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.728 -0.518 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.833 -1.289 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.076 -2.937 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.076 -1.280 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.067 -2.559 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.671 -3.966 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.380 -3.660 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.552 -2.760 -7.256 1.00 0.00 H new ATOM 145 N VAL A 10 -11.040 -2.293 -1.467 1.00 0.00 N ATOM 146 CA VAL A 10 -10.157 -2.115 -0.320 1.00 0.00 C ATOM 147 C VAL A 10 -9.181 -3.289 -0.240 1.00 0.00 C ATOM 148 O VAL A 10 -7.975 -3.105 -0.087 1.00 0.00 O ATOM 149 CB VAL A 10 -10.936 -2.034 1.011 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.072 -1.417 2.089 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.228 -1.249 0.869 1.00 0.00 C ATOM 0 H VAL A 10 -12.033 -2.324 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.627 -1.173 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.198 -3.053 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.634 -1.366 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.181 -2.028 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.777 -0.412 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.742 -1.218 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.003 -0.233 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.868 -1.732 0.130 1.00 0.00 H new ATOM 161 N GLU A 11 -9.722 -4.496 -0.378 1.00 0.00 N ATOM 162 CA GLU A 11 -8.925 -5.721 -0.350 1.00 0.00 C ATOM 163 C GLU A 11 -7.961 -5.780 -1.539 1.00 0.00 C ATOM 164 O GLU A 11 -6.899 -6.395 -1.459 1.00 0.00 O ATOM 165 CB GLU A 11 -9.863 -6.940 -0.363 1.00 0.00 C ATOM 166 CG GLU A 11 -9.158 -8.290 -0.441 1.00 0.00 C ATOM 167 CD GLU A 11 -8.277 -8.575 0.759 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.039 -8.504 0.615 1.00 0.00 O ATOM 169 OE2 GLU A 11 -8.824 -8.870 1.841 1.00 0.00 O ATOM 0 H GLU A 11 -10.721 -4.654 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.328 -5.729 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.476 -6.918 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.540 -6.850 -1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.906 -9.078 -0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.551 -8.323 -1.345 1.00 0.00 H new ATOM 176 N GLU A 12 -8.328 -5.132 -2.636 1.00 0.00 N ATOM 177 CA GLU A 12 -7.486 -5.100 -3.822 1.00 0.00 C ATOM 178 C GLU A 12 -6.253 -4.251 -3.539 1.00 0.00 C ATOM 179 O GLU A 12 -5.133 -4.620 -3.894 1.00 0.00 O ATOM 180 CB GLU A 12 -8.264 -4.541 -5.019 1.00 0.00 C ATOM 181 CG GLU A 12 -7.908 -5.187 -6.353 1.00 0.00 C ATOM 182 CD GLU A 12 -6.477 -4.932 -6.788 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.618 -5.807 -6.548 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.219 -3.860 -7.373 1.00 0.00 O ATOM 0 H GLU A 12 -9.206 -4.620 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.174 -6.114 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.331 -4.672 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.082 -3.469 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.071 -6.262 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.585 -4.812 -7.121 1.00 0.00 H new ATOM 191 N LEU A 13 -6.462 -3.117 -2.880 1.00 0.00 N ATOM 192 CA LEU A 13 -5.350 -2.293 -2.428 1.00 0.00 C ATOM 193 C LEU A 13 -4.594 -3.009 -1.326 1.00 0.00 C ATOM 194 O LEU A 13 -3.381 -2.868 -1.204 1.00 0.00 O ATOM 195 CB LEU A 13 -5.822 -0.927 -1.927 1.00 0.00 C ATOM 196 CG LEU A 13 -6.056 0.130 -3.008 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.273 -0.209 -3.848 1.00 0.00 C ATOM 198 CD2 LEU A 13 -6.210 1.499 -2.376 1.00 0.00 C ATOM 0 H LEU A 13 -7.385 -2.750 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.692 -2.127 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.750 -1.065 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.083 -0.543 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.188 0.143 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.416 0.559 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.124 -1.175 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.155 -0.255 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.376 2.243 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.061 1.491 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.304 1.749 -1.823 1.00 0.00 H new ATOM 210 N LEU A 14 -5.328 -3.783 -0.537 1.00 0.00 N ATOM 211 CA LEU A 14 -4.749 -4.594 0.525 1.00 0.00 C ATOM 212 C LEU A 14 -3.811 -5.640 -0.067 1.00 0.00 C ATOM 213 O LEU A 14 -2.882 -6.103 0.589 1.00 0.00 O ATOM 214 CB LEU A 14 -5.861 -5.300 1.307 1.00 0.00 C ATOM 215 CG LEU A 14 -5.498 -5.725 2.732 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.422 -4.516 3.648 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.508 -6.726 3.265 1.00 0.00 C ATOM 0 H LEU A 14 -6.342 -3.866 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.188 -3.943 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.725 -4.638 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.167 -6.185 0.750 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.518 -6.202 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.163 -4.839 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.660 -3.828 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.388 -4.012 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.233 -7.016 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.499 -6.273 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.518 -7.609 2.625 1.00 0.00 H new ATOM 229 N SER A 15 -4.074 -6.004 -1.313 1.00 0.00 N ATOM 230 CA SER A 15 -3.297 -7.017 -2.000 1.00 0.00 C ATOM 231 C SER A 15 -1.928 -6.472 -2.383 1.00 0.00 C ATOM 232 O SER A 15 -0.907 -7.117 -2.126 1.00 0.00 O ATOM 233 CB SER A 15 -4.043 -7.518 -3.240 1.00 0.00 C ATOM 234 OG SER A 15 -3.370 -8.614 -3.838 1.00 0.00 O ATOM 0 H SER A 15 -4.829 -5.606 -1.872 1.00 0.00 H new ATOM 0 HA SER A 15 -3.154 -7.859 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.054 -7.817 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.137 -6.708 -3.963 1.00 0.00 H new ATOM 0 HG SER A 15 -3.869 -8.914 -4.626 1.00 0.00 H new ATOM 240 N LYS A 16 -1.885 -5.286 -2.991 1.00 0.00 N ATOM 241 CA LYS A 16 -0.596 -4.699 -3.317 1.00 0.00 C ATOM 242 C LYS A 16 0.057 -4.162 -2.059 1.00 0.00 C ATOM 243 O LYS A 16 1.256 -4.268 -1.914 1.00 0.00 O ATOM 244 CB LYS A 16 -0.659 -3.607 -4.392 1.00 0.00 C ATOM 245 CG LYS A 16 -1.338 -2.310 -3.979 1.00 0.00 C ATOM 246 CD LYS A 16 -0.855 -1.157 -4.852 1.00 0.00 C ATOM 247 CE LYS A 16 -1.534 0.156 -4.501 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.904 0.246 -5.068 1.00 0.00 N ATOM 0 H LYS A 16 -2.700 -4.733 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 16 0.006 -5.501 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.358 -3.377 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.182 -4.008 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.419 -2.414 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.123 -2.097 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.224 -1.047 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.045 -1.393 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.583 0.260 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.933 0.985 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.367 1.110 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.849 0.276 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.457 -0.585 -4.774 1.00 0.00 H new ATOM 262 N ASN A 17 -0.741 -3.610 -1.145 1.00 0.00 N ATOM 263 CA ASN A 17 -0.244 -3.196 0.171 1.00 0.00 C ATOM 264 C ASN A 17 0.483 -4.351 0.831 1.00 0.00 C ATOM 265 O ASN A 17 1.515 -4.163 1.461 1.00 0.00 O ATOM 266 CB ASN A 17 -1.405 -2.769 1.071 1.00 0.00 C ATOM 267 CG ASN A 17 -1.534 -1.270 1.211 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.542 -0.551 1.280 1.00 0.00 O ATOM 269 ND2 ASN A 17 -2.766 -0.788 1.260 1.00 0.00 N ATOM 0 H ASN A 17 -1.736 -3.438 -1.290 1.00 0.00 H new ATOM 0 HA ASN A 17 0.436 -2.355 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.335 -3.170 0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.270 -3.209 2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.917 0.216 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.564 -1.421 1.199 1.00 0.00 H new ATOM 276 N TYR A 18 -0.066 -5.552 0.682 1.00 0.00 N ATOM 277 CA TYR A 18 0.557 -6.746 1.237 1.00 0.00 C ATOM 278 C TYR A 18 1.966 -6.933 0.669 1.00 0.00 C ATOM 279 O TYR A 18 2.936 -7.073 1.415 1.00 0.00 O ATOM 280 CB TYR A 18 -0.301 -7.979 0.942 1.00 0.00 C ATOM 281 CG TYR A 18 0.250 -9.262 1.519 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.026 -9.632 2.829 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.042 -10.104 0.753 1.00 0.00 C ATOM 284 CE1 TYR A 18 0.474 -10.806 3.357 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.547 -11.276 1.273 1.00 0.00 C ATOM 286 CZ TYR A 18 1.260 -11.623 2.573 1.00 0.00 C ATOM 287 OH TYR A 18 1.762 -12.794 3.092 1.00 0.00 O ATOM 0 H TYR A 18 -0.939 -5.723 0.183 1.00 0.00 H new ATOM 0 HA TYR A 18 0.634 -6.623 2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.303 -7.815 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.399 -8.091 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.641 -8.992 3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.267 -9.837 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.251 -11.082 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.165 -11.919 0.663 1.00 0.00 H new ATOM 0 HH TYR A 18 2.294 -13.253 2.409 1.00 0.00 H new ATOM 297 N HIS A 19 2.069 -6.913 -0.653 1.00 0.00 N ATOM 298 CA HIS A 19 3.346 -7.111 -1.330 1.00 0.00 C ATOM 299 C HIS A 19 4.254 -5.901 -1.125 1.00 0.00 C ATOM 300 O HIS A 19 5.438 -6.044 -0.840 1.00 0.00 O ATOM 301 CB HIS A 19 3.117 -7.352 -2.827 1.00 0.00 C ATOM 302 CG HIS A 19 4.350 -7.755 -3.582 1.00 0.00 C ATOM 303 ND1 HIS A 19 4.653 -9.066 -3.878 1.00 0.00 N ATOM 304 CD2 HIS A 19 5.353 -7.013 -4.111 1.00 0.00 C ATOM 305 CE1 HIS A 19 5.785 -9.113 -4.553 1.00 0.00 C ATOM 306 NE2 HIS A 19 6.230 -7.882 -4.709 1.00 0.00 N ATOM 0 H HIS A 19 1.280 -6.761 -1.282 1.00 0.00 H new ATOM 0 HA HIS A 19 3.834 -7.986 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.361 -8.128 -2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.713 -6.443 -3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.445 -5.938 -4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.266 -10.009 -4.917 1.00 0.00 H new ATOM 0 HE2 HIS A 19 7.087 -7.618 -5.195 1.00 0.00 H new ATOM 315 N LEU A 20 3.680 -4.719 -1.269 1.00 0.00 N ATOM 316 CA LEU A 20 4.393 -3.469 -1.157 1.00 0.00 C ATOM 317 C LEU A 20 4.929 -3.244 0.273 1.00 0.00 C ATOM 318 O LEU A 20 6.026 -2.708 0.450 1.00 0.00 O ATOM 319 CB LEU A 20 3.440 -2.360 -1.645 1.00 0.00 C ATOM 320 CG LEU A 20 3.809 -0.935 -1.309 1.00 0.00 C ATOM 321 CD1 LEU A 20 5.253 -0.654 -1.630 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.942 0.043 -2.066 1.00 0.00 C ATOM 0 H LEU A 20 2.687 -4.605 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 20 5.288 -3.468 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.355 -2.440 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.451 -2.559 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 20 3.648 -0.810 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.487 0.380 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.891 -1.323 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.427 -0.816 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.229 1.062 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.073 -0.108 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.897 -0.118 -1.803 1.00 0.00 H new ATOM 334 N GLU A 21 4.194 -3.695 1.290 1.00 0.00 N ATOM 335 CA GLU A 21 4.689 -3.629 2.665 1.00 0.00 C ATOM 336 C GLU A 21 5.887 -4.554 2.839 1.00 0.00 C ATOM 337 O GLU A 21 6.831 -4.240 3.564 1.00 0.00 O ATOM 338 CB GLU A 21 3.594 -3.995 3.675 1.00 0.00 C ATOM 339 CG GLU A 21 2.645 -2.853 3.986 1.00 0.00 C ATOM 340 CD GLU A 21 1.532 -3.253 4.932 1.00 0.00 C ATOM 341 OE1 GLU A 21 1.816 -3.462 6.129 1.00 0.00 O ATOM 342 OE2 GLU A 21 0.374 -3.344 4.476 1.00 0.00 O ATOM 0 H GLU A 21 3.265 -4.105 1.190 1.00 0.00 H new ATOM 0 HA GLU A 21 4.996 -2.601 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.021 -4.837 3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.063 -4.329 4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.208 -2.028 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.210 -2.485 3.057 1.00 0.00 H new ATOM 349 N ASN A 22 5.844 -5.692 2.159 1.00 0.00 N ATOM 350 CA ASN A 22 6.950 -6.643 2.187 1.00 0.00 C ATOM 351 C ASN A 22 8.111 -6.124 1.348 1.00 0.00 C ATOM 352 O ASN A 22 9.275 -6.399 1.638 1.00 0.00 O ATOM 353 CB ASN A 22 6.504 -8.020 1.670 1.00 0.00 C ATOM 354 CG ASN A 22 5.649 -8.794 2.664 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.907 -8.086 3.502 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 5.654 -10.026 2.673 1.00 0.00 N flip ATOM 0 H ASN A 22 5.055 -5.980 1.580 1.00 0.00 H new ATOM 0 HA ASN A 22 7.277 -6.753 3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.942 -7.888 0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.387 -8.611 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.238 -10.538 2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.074 -10.533 3.341 1.00 0.00 H new ATOM 363 N GLU A 23 7.777 -5.364 0.310 1.00 0.00 N ATOM 364 CA GLU A 23 8.770 -4.777 -0.577 1.00 0.00 C ATOM 365 C GLU A 23 9.663 -3.807 0.188 1.00 0.00 C ATOM 366 O GLU A 23 10.889 -3.848 0.054 1.00 0.00 O ATOM 367 CB GLU A 23 8.083 -4.058 -1.741 1.00 0.00 C ATOM 368 CG GLU A 23 9.037 -3.578 -2.823 1.00 0.00 C ATOM 369 CD GLU A 23 9.765 -4.720 -3.507 1.00 0.00 C ATOM 370 OE1 GLU A 23 10.885 -5.055 -3.069 1.00 0.00 O ATOM 371 OE2 GLU A 23 9.213 -5.279 -4.477 1.00 0.00 O ATOM 0 H GLU A 23 6.813 -5.139 0.062 1.00 0.00 H new ATOM 0 HA GLU A 23 9.392 -5.578 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.351 -4.731 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.532 -3.202 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.480 -3.009 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.767 -2.898 -2.383 1.00 0.00 H new ATOM 378 N VAL A 24 9.047 -2.942 0.991 1.00 0.00 N ATOM 379 CA VAL A 24 9.802 -2.020 1.828 1.00 0.00 C ATOM 380 C VAL A 24 10.676 -2.798 2.810 1.00 0.00 C ATOM 381 O VAL A 24 11.844 -2.470 3.010 1.00 0.00 O ATOM 382 CB VAL A 24 8.885 -1.048 2.621 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.667 -0.318 3.696 1.00 0.00 C ATOM 384 CG2 VAL A 24 8.282 -0.030 1.697 1.00 0.00 C ATOM 0 H VAL A 24 8.034 -2.862 1.078 1.00 0.00 H new ATOM 0 HA VAL A 24 10.422 -1.423 1.160 1.00 0.00 H new ATOM 0 HB VAL A 24 8.100 -1.644 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.002 0.356 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.093 -1.042 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.470 0.257 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.642 0.644 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.076 0.542 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.689 -0.536 0.935 1.00 0.00 H new ATOM 394 N ALA A 25 10.100 -3.844 3.397 1.00 0.00 N ATOM 395 CA ALA A 25 10.799 -4.669 4.378 1.00 0.00 C ATOM 396 C ALA A 25 12.090 -5.249 3.805 1.00 0.00 C ATOM 397 O ALA A 25 13.135 -5.224 4.460 1.00 0.00 O ATOM 398 CB ALA A 25 9.889 -5.789 4.862 1.00 0.00 C ATOM 0 H ALA A 25 9.143 -4.142 3.208 1.00 0.00 H new ATOM 0 HA ALA A 25 11.066 -4.032 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.420 -6.399 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.999 -5.361 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.596 -6.411 4.016 1.00 0.00 H new ATOM 404 N ARG A 26 12.012 -5.767 2.582 1.00 0.00 N ATOM 405 CA ARG A 26 13.186 -6.319 1.915 1.00 0.00 C ATOM 406 C ARG A 26 14.244 -5.240 1.733 1.00 0.00 C ATOM 407 O ARG A 26 15.394 -5.411 2.130 1.00 0.00 O ATOM 408 CB ARG A 26 12.816 -6.909 0.552 1.00 0.00 C ATOM 409 CG ARG A 26 11.816 -8.052 0.625 1.00 0.00 C ATOM 410 CD ARG A 26 11.645 -8.722 -0.730 1.00 0.00 C ATOM 411 NE ARG A 26 12.871 -9.390 -1.165 1.00 0.00 N ATOM 412 CZ ARG A 26 12.993 -10.066 -2.308 1.00 0.00 C ATOM 413 NH1 ARG A 26 11.977 -10.134 -3.156 1.00 0.00 N ATOM 414 NH2 ARG A 26 14.137 -10.668 -2.604 1.00 0.00 N ATOM 0 H ARG A 26 11.152 -5.816 2.035 1.00 0.00 H new ATOM 0 HA ARG A 26 13.585 -7.116 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.404 -6.118 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.723 -7.264 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.152 -8.787 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.854 -7.675 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.835 -9.449 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.355 -7.976 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 26 13.686 -9.335 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.097 -9.668 -2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.075 -10.652 -4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.924 -10.614 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.230 -11.185 -3.478 1.00 0.00 H new ATOM 428 N LEU A 27 13.832 -4.120 1.156 1.00 0.00 N ATOM 429 CA LEU A 27 14.728 -2.994 0.910 1.00 0.00 C ATOM 430 C LEU A 27 15.365 -2.493 2.205 1.00 0.00 C ATOM 431 O LEU A 27 16.543 -2.128 2.227 1.00 0.00 O ATOM 432 CB LEU A 27 13.961 -1.859 0.235 1.00 0.00 C ATOM 433 CG LEU A 27 13.984 -1.833 -1.298 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.761 -3.212 -1.893 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.924 -0.877 -1.808 1.00 0.00 C ATOM 0 H LEU A 27 12.873 -3.964 0.846 1.00 0.00 H new ATOM 0 HA LEU A 27 15.527 -3.337 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.922 -1.910 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.363 -0.913 0.598 1.00 0.00 H new ATOM 0 HG LEU A 27 14.972 -1.495 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.785 -3.147 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.546 -3.887 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.791 -3.594 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.943 -0.861 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.943 -1.206 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.123 0.124 -1.427 1.00 0.00 H new ATOM 447 N LYS A 28 14.585 -2.491 3.286 1.00 0.00 N ATOM 448 CA LYS A 28 15.080 -2.066 4.592 1.00 0.00 C ATOM 449 C LYS A 28 16.219 -2.960 5.074 1.00 0.00 C ATOM 450 O LYS A 28 17.062 -2.527 5.852 1.00 0.00 O ATOM 451 CB LYS A 28 13.958 -2.069 5.636 1.00 0.00 C ATOM 452 CG LYS A 28 13.044 -0.856 5.572 1.00 0.00 C ATOM 453 CD LYS A 28 13.818 0.438 5.784 1.00 0.00 C ATOM 454 CE LYS A 28 12.893 1.639 5.894 1.00 0.00 C ATOM 455 NZ LYS A 28 12.081 1.606 7.138 1.00 0.00 N ATOM 0 H LYS A 28 13.607 -2.780 3.281 1.00 0.00 H new ATOM 0 HA LYS A 28 15.456 -1.050 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.358 -2.969 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.402 -2.123 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.543 -0.827 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.266 -0.945 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.418 0.358 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.510 0.587 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.484 2.555 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.230 1.666 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.647 2.538 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.335 0.888 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.692 1.369 7.945 1.00 0.00 H new ATOM 469 N LYS A 29 16.240 -4.206 4.614 1.00 0.00 N ATOM 470 CA LYS A 29 17.301 -5.135 4.987 1.00 0.00 C ATOM 471 C LYS A 29 18.571 -4.847 4.191 1.00 0.00 C ATOM 472 O LYS A 29 19.683 -4.975 4.700 1.00 0.00 O ATOM 473 CB LYS A 29 16.860 -6.584 4.760 1.00 0.00 C ATOM 474 CG LYS A 29 17.898 -7.601 5.201 1.00 0.00 C ATOM 475 CD LYS A 29 17.420 -9.025 4.988 1.00 0.00 C ATOM 476 CE LYS A 29 18.452 -10.033 5.473 1.00 0.00 C ATOM 477 NZ LYS A 29 18.736 -9.883 6.925 1.00 0.00 N ATOM 0 H LYS A 29 15.538 -4.595 3.985 1.00 0.00 H new ATOM 0 HA LYS A 29 17.511 -4.997 6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.932 -6.764 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.645 -6.730 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.822 -7.441 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.130 -7.450 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.481 -9.179 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.218 -9.189 3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.093 -11.043 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.376 -9.907 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.236 -10.727 7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.329 -9.043 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.842 -9.774 7.444 1.00 0.00 H new ATOM 491 N LEU A 30 18.393 -4.444 2.942 1.00 0.00 N ATOM 492 CA LEU A 30 19.520 -4.138 2.067 1.00 0.00 C ATOM 493 C LEU A 30 20.189 -2.844 2.505 1.00 0.00 C ATOM 494 O LEU A 30 21.414 -2.758 2.567 1.00 0.00 O ATOM 495 CB LEU A 30 19.070 -4.036 0.604 1.00 0.00 C ATOM 496 CG LEU A 30 18.908 -5.371 -0.136 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.803 -6.216 0.474 1.00 0.00 C ATOM 498 CD2 LEU A 30 18.631 -5.126 -1.611 1.00 0.00 C ATOM 0 H LEU A 30 17.478 -4.320 2.509 1.00 0.00 H new ATOM 0 HA LEU A 30 20.240 -4.952 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.118 -3.506 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.793 -3.426 0.062 1.00 0.00 H new ATOM 0 HG LEU A 30 19.843 -5.923 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.717 -7.154 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.040 -6.427 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.858 -5.675 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.518 -6.081 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.714 -4.547 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.462 -4.574 -2.051 1.00 0.00 H new ATOM 510 N VAL A 31 19.377 -1.844 2.822 1.00 0.00 N ATOM 511 CA VAL A 31 19.889 -0.595 3.369 1.00 0.00 C ATOM 512 C VAL A 31 20.323 -0.815 4.813 1.00 0.00 C ATOM 513 O VAL A 31 21.213 -0.137 5.327 1.00 0.00 O ATOM 514 CB VAL A 31 18.822 0.524 3.325 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.386 1.837 3.845 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.284 0.700 1.915 1.00 0.00 C ATOM 0 H VAL A 31 18.364 -1.873 2.710 1.00 0.00 H new ATOM 0 HA VAL A 31 20.737 -0.283 2.760 1.00 0.00 H new ATOM 0 HB VAL A 31 17.999 0.226 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.615 2.606 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.715 1.709 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.233 2.138 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.535 1.492 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.101 0.967 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.829 -0.232 1.580 1.00 0.00 H new ATOM 526 N GLY A 32 19.694 -1.796 5.441 1.00 0.00 N ATOM 527 CA GLY A 32 19.946 -2.103 6.830 1.00 0.00 C ATOM 528 C GLY A 32 21.312 -2.709 7.068 1.00 0.00 C ATOM 529 O GLY A 32 21.882 -2.540 8.146 1.00 0.00 O ATOM 0 H GLY A 32 18.998 -2.397 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.852 -1.191 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 32 19.182 -2.794 7.187 1.00 0.00 H new ATOM 533 N GLU A 33 21.823 -3.416 6.064 1.00 0.00 N ATOM 534 CA GLU A 33 23.126 -4.076 6.140 1.00 0.00 C ATOM 535 C GLU A 33 23.106 -5.173 7.206 1.00 0.00 C ATOM 536 O GLU A 33 23.605 -4.942 8.331 1.00 0.00 O ATOM 537 CB GLU A 33 24.242 -3.060 6.421 1.00 0.00 C ATOM 538 CG GLU A 33 25.642 -3.643 6.313 1.00 0.00 C ATOM 539 CD GLU A 33 26.720 -2.656 6.714 1.00 0.00 C ATOM 540 OE1 GLU A 33 27.033 -2.578 7.921 1.00 0.00 O ATOM 541 OE2 GLU A 33 27.251 -1.963 5.823 1.00 0.00 O ATOM 542 OXT GLU A 33 22.568 -6.261 6.916 1.00 0.00 O ATOM 0 H GLU A 33 21.346 -3.549 5.172 1.00 0.00 H new ATOM 0 HA GLU A 33 23.332 -4.538 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 33 24.149 -2.229 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 33 24.105 -2.651 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 33 25.712 -4.528 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 33 25.817 -3.969 5.288 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -23.292 5.681 4.441 1.00 0.00 N ATOM 551 CA GLY B 1 -23.623 4.503 3.609 1.00 0.00 C ATOM 552 C GLY B 1 -22.380 3.824 3.081 1.00 0.00 C ATOM 553 O GLY B 1 -21.307 4.426 3.055 1.00 0.00 O ATOM 0 H1 GLY B 1 -24.156 6.039 4.895 1.00 0.00 H new ATOM 0 H2 GLY B 1 -22.605 5.408 5.172 1.00 0.00 H new ATOM 0 H3 GLY B 1 -22.882 6.425 3.841 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -24.203 3.793 4.198 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.251 4.812 2.774 1.00 0.00 H new ATOM 559 N SER B 2 -22.527 2.578 2.649 1.00 0.00 N ATOM 560 CA SER B 2 -21.402 1.778 2.177 1.00 0.00 C ATOM 561 C SER B 2 -20.627 2.475 1.062 1.00 0.00 C ATOM 562 O SER B 2 -19.400 2.456 1.054 1.00 0.00 O ATOM 563 CB SER B 2 -21.909 0.423 1.686 1.00 0.00 C ATOM 564 OG SER B 2 -23.066 0.585 0.888 1.00 0.00 O ATOM 0 H SER B 2 -23.425 2.095 2.616 1.00 0.00 H new ATOM 0 HA SER B 2 -20.718 1.642 3.014 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.130 -0.076 1.110 1.00 0.00 H new ATOM 0 HB3 SER B 2 -22.135 -0.218 2.538 1.00 0.00 H new ATOM 0 HG SER B 2 -23.293 -0.269 0.464 1.00 0.00 H new ATOM 570 N MET B 3 -21.343 3.107 0.142 1.00 0.00 N ATOM 571 CA MET B 3 -20.725 3.678 -1.050 1.00 0.00 C ATOM 572 C MET B 3 -19.594 4.646 -0.713 1.00 0.00 C ATOM 573 O MET B 3 -18.500 4.541 -1.266 1.00 0.00 O ATOM 574 CB MET B 3 -21.771 4.365 -1.927 1.00 0.00 C ATOM 575 CG MET B 3 -22.825 3.411 -2.468 1.00 0.00 C ATOM 576 SD MET B 3 -23.916 4.182 -3.678 1.00 0.00 S ATOM 577 CE MET B 3 -22.758 4.474 -5.012 1.00 0.00 C ATOM 0 H MET B 3 -22.353 3.238 0.197 1.00 0.00 H new ATOM 0 HA MET B 3 -20.286 2.849 -1.605 1.00 0.00 H new ATOM 0 HB2 MET B 3 -22.262 5.148 -1.349 1.00 0.00 H new ATOM 0 HB3 MET B 3 -21.270 4.853 -2.763 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.331 2.554 -2.926 1.00 0.00 H new ATOM 0 HG3 MET B 3 -23.422 3.030 -1.639 1.00 0.00 H new ATOM 0 HE1 MET B 3 -23.301 4.555 -5.954 1.00 0.00 H new ATOM 0 HE2 MET B 3 -22.214 5.400 -4.825 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.053 3.645 -5.070 1.00 0.00 H new ATOM 587 N LYS B 4 -19.839 5.566 0.207 1.00 0.00 N ATOM 588 CA LYS B 4 -18.848 6.585 0.544 1.00 0.00 C ATOM 589 C LYS B 4 -17.904 6.112 1.648 1.00 0.00 C ATOM 590 O LYS B 4 -16.773 6.576 1.746 1.00 0.00 O ATOM 591 CB LYS B 4 -19.545 7.878 0.974 1.00 0.00 C ATOM 592 CG LYS B 4 -20.459 8.470 -0.091 1.00 0.00 C ATOM 593 CD LYS B 4 -19.692 8.893 -1.338 1.00 0.00 C ATOM 594 CE LYS B 4 -18.711 10.016 -1.041 1.00 0.00 C ATOM 595 NZ LYS B 4 -17.992 10.463 -2.263 1.00 0.00 N ATOM 0 H LYS B 4 -20.710 5.631 0.733 1.00 0.00 H new ATOM 0 HA LYS B 4 -18.252 6.773 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.130 7.682 1.873 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.788 8.616 1.240 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -21.218 7.737 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.983 9.332 0.321 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -19.153 8.036 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -20.395 9.217 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -19.246 10.860 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -17.988 9.679 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -17.333 11.229 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -17.460 9.665 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -18.679 10.808 -2.963 1.00 0.00 H new ATOM 609 N GLN B 5 -18.355 5.158 2.442 1.00 0.00 N ATOM 610 CA GLN B 5 -17.614 4.729 3.620 1.00 0.00 C ATOM 611 C GLN B 5 -16.641 3.623 3.261 1.00 0.00 C ATOM 612 O GLN B 5 -15.515 3.596 3.755 1.00 0.00 O ATOM 613 CB GLN B 5 -18.562 4.253 4.720 1.00 0.00 C ATOM 614 CG GLN B 5 -19.422 5.360 5.305 1.00 0.00 C ATOM 615 CD GLN B 5 -20.322 4.867 6.419 1.00 0.00 C ATOM 616 OE1 GLN B 5 -21.458 4.450 6.182 1.00 0.00 O ATOM 617 NE2 GLN B 5 -19.824 4.912 7.640 1.00 0.00 N ATOM 0 H GLN B 5 -19.234 4.662 2.294 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.054 5.586 3.994 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.211 3.475 4.317 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -17.977 3.798 5.520 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -18.778 6.153 5.686 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.033 5.797 4.515 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.879 5.264 7.793 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -20.384 4.594 8.431 1.00 0.00 H new ATOM 626 N LEU B 6 -17.076 2.714 2.401 1.00 0.00 N ATOM 627 CA LEU B 6 -16.203 1.658 1.919 1.00 0.00 C ATOM 628 C LEU B 6 -15.217 2.248 0.933 1.00 0.00 C ATOM 629 O LEU B 6 -14.048 1.878 0.918 1.00 0.00 O ATOM 630 CB LEU B 6 -16.999 0.527 1.267 1.00 0.00 C ATOM 631 CG LEU B 6 -18.094 -0.090 2.140 1.00 0.00 C ATOM 632 CD1 LEU B 6 -18.669 -1.325 1.480 1.00 0.00 C ATOM 633 CD2 LEU B 6 -17.561 -0.426 3.525 1.00 0.00 C ATOM 0 H LEU B 6 -18.024 2.687 2.025 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.668 1.229 2.767 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.457 0.907 0.353 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.305 -0.260 0.973 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.891 0.646 2.252 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -19.446 -1.749 2.116 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -19.097 -1.056 0.515 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -17.878 -2.061 1.333 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -18.359 -0.863 4.126 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -16.741 -1.139 3.436 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -17.201 0.483 4.007 1.00 0.00 H new ATOM 645 N GLU B 7 -15.694 3.187 0.117 1.00 0.00 N ATOM 646 CA GLU B 7 -14.813 3.938 -0.762 1.00 0.00 C ATOM 647 C GLU B 7 -13.799 4.717 0.065 1.00 0.00 C ATOM 648 O GLU B 7 -12.631 4.820 -0.312 1.00 0.00 O ATOM 649 CB GLU B 7 -15.608 4.892 -1.650 1.00 0.00 C ATOM 650 CG GLU B 7 -14.772 5.568 -2.725 1.00 0.00 C ATOM 651 CD GLU B 7 -14.118 4.574 -3.665 1.00 0.00 C ATOM 652 OE1 GLU B 7 -12.931 4.250 -3.453 1.00 0.00 O ATOM 653 OE2 GLU B 7 -14.795 4.111 -4.606 1.00 0.00 O ATOM 0 H GLU B 7 -16.680 3.441 0.050 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.288 3.233 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.418 4.340 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -16.068 5.658 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -15.404 6.245 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -14.001 6.177 -2.252 1.00 0.00 H new ATOM 660 N ASP B 8 -14.244 5.259 1.203 1.00 0.00 N ATOM 661 CA ASP B 8 -13.319 5.935 2.115 1.00 0.00 C ATOM 662 C ASP B 8 -12.265 4.973 2.646 1.00 0.00 C ATOM 663 O ASP B 8 -11.127 5.366 2.883 1.00 0.00 O ATOM 664 CB ASP B 8 -14.052 6.593 3.282 1.00 0.00 C ATOM 665 CG ASP B 8 -14.191 8.092 3.100 1.00 0.00 C ATOM 666 OD1 ASP B 8 -15.322 8.564 2.872 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.162 8.795 3.185 1.00 0.00 O ATOM 0 H ASP B 8 -15.217 5.244 1.509 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.825 6.716 1.537 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -15.042 6.148 3.384 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.514 6.390 4.208 1.00 0.00 H new ATOM 672 N LYS B 9 -12.642 3.711 2.822 1.00 0.00 N ATOM 673 CA LYS B 9 -11.703 2.696 3.288 1.00 0.00 C ATOM 674 C LYS B 9 -10.637 2.434 2.233 1.00 0.00 C ATOM 675 O LYS B 9 -9.451 2.343 2.551 1.00 0.00 O ATOM 676 CB LYS B 9 -12.426 1.391 3.634 1.00 0.00 C ATOM 677 CG LYS B 9 -13.453 1.535 4.745 1.00 0.00 C ATOM 678 CD LYS B 9 -12.822 2.047 6.029 1.00 0.00 C ATOM 679 CE LYS B 9 -13.869 2.277 7.107 1.00 0.00 C ATOM 680 NZ LYS B 9 -14.877 3.291 6.698 1.00 0.00 N ATOM 0 H LYS B 9 -13.587 3.367 2.650 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.225 3.074 4.192 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -12.922 1.013 2.740 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.688 0.645 3.928 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.239 2.220 4.427 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.926 0.571 4.931 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -12.083 1.329 6.385 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -12.292 2.978 5.830 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -14.372 1.336 7.331 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -13.379 2.603 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -14.933 4.036 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -14.597 3.711 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -15.807 2.836 6.597 1.00 0.00 H new ATOM 694 N VAL B 10 -11.064 2.328 0.980 1.00 0.00 N ATOM 695 CA VAL B 10 -10.135 2.145 -0.130 1.00 0.00 C ATOM 696 C VAL B 10 -9.149 3.312 -0.171 1.00 0.00 C ATOM 697 O VAL B 10 -7.938 3.118 -0.278 1.00 0.00 O ATOM 698 CB VAL B 10 -10.862 2.071 -1.490 1.00 0.00 C ATOM 699 CG1 VAL B 10 -9.960 1.447 -2.533 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.164 1.296 -1.400 1.00 0.00 C ATOM 0 H VAL B 10 -12.046 2.365 0.707 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.616 1.201 0.035 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.106 3.092 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.485 1.401 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.059 2.051 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -9.685 0.439 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -12.640 1.270 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -11.959 0.278 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -12.829 1.783 -0.686 1.00 0.00 H new ATOM 710 N GLU B 11 -9.685 4.523 -0.054 1.00 0.00 N ATOM 711 CA GLU B 11 -8.880 5.741 -0.049 1.00 0.00 C ATOM 712 C GLU B 11 -7.961 5.792 1.177 1.00 0.00 C ATOM 713 O GLU B 11 -6.891 6.398 1.136 1.00 0.00 O ATOM 714 CB GLU B 11 -9.808 6.964 -0.069 1.00 0.00 C ATOM 715 CG GLU B 11 -9.098 8.309 0.038 1.00 0.00 C ATOM 716 CD GLU B 11 -8.161 8.582 -1.122 1.00 0.00 C ATOM 717 OE1 GLU B 11 -6.931 8.489 -0.925 1.00 0.00 O ATOM 718 OE2 GLU B 11 -8.655 8.890 -2.227 1.00 0.00 O ATOM 0 H GLU B 11 -10.687 4.688 0.040 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.249 5.746 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.387 6.948 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.517 6.877 0.754 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -9.843 9.103 0.090 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -8.532 8.341 0.969 1.00 0.00 H new ATOM 725 N GLU B 12 -8.379 5.150 2.258 1.00 0.00 N ATOM 726 CA GLU B 12 -7.586 5.110 3.478 1.00 0.00 C ATOM 727 C GLU B 12 -6.350 4.251 3.243 1.00 0.00 C ATOM 728 O GLU B 12 -5.242 4.614 3.640 1.00 0.00 O ATOM 729 CB GLU B 12 -8.419 4.556 4.640 1.00 0.00 C ATOM 730 CG GLU B 12 -8.114 5.197 5.990 1.00 0.00 C ATOM 731 CD GLU B 12 -6.703 4.934 6.479 1.00 0.00 C ATOM 732 OE1 GLU B 12 -5.826 5.797 6.259 1.00 0.00 O ATOM 733 OE2 GLU B 12 -6.476 3.867 7.085 1.00 0.00 O ATOM 0 H GLU B 12 -9.265 4.648 2.315 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.274 6.121 3.742 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.476 4.697 4.414 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.249 3.482 4.714 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.270 6.273 5.916 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.822 4.823 6.729 1.00 0.00 H new ATOM 740 N LEU B 13 -6.540 3.118 2.576 1.00 0.00 N ATOM 741 CA LEU B 13 -5.416 2.286 2.170 1.00 0.00 C ATOM 742 C LEU B 13 -4.612 2.998 1.101 1.00 0.00 C ATOM 743 O LEU B 13 -3.397 2.848 1.027 1.00 0.00 O ATOM 744 CB LEU B 13 -5.878 0.925 1.647 1.00 0.00 C ATOM 745 CG LEU B 13 -6.166 -0.129 2.716 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.414 0.217 3.505 1.00 0.00 C ATOM 747 CD2 LEU B 13 -6.302 -1.497 2.078 1.00 0.00 C ATOM 0 H LEU B 13 -7.455 2.757 2.307 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.795 2.113 3.049 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.780 1.071 1.053 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.114 0.535 0.974 1.00 0.00 H new ATOM 0 HG LEU B 13 -5.327 -0.146 3.411 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.593 -0.551 4.258 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.279 1.181 3.995 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -8.268 0.270 2.830 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.507 -2.239 2.849 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.122 -1.484 1.360 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.375 -1.753 1.565 1.00 0.00 H new ATOM 759 N LEU B 14 -5.309 3.778 0.284 1.00 0.00 N ATOM 760 CA LEU B 14 -4.682 4.584 -0.757 1.00 0.00 C ATOM 761 C LEU B 14 -3.758 5.622 -0.131 1.00 0.00 C ATOM 762 O LEU B 14 -2.793 6.070 -0.751 1.00 0.00 O ATOM 763 CB LEU B 14 -5.758 5.299 -1.581 1.00 0.00 C ATOM 764 CG LEU B 14 -5.336 5.721 -2.990 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.233 4.512 -3.901 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.316 6.730 -3.563 1.00 0.00 C ATOM 0 H LEU B 14 -6.324 3.870 0.324 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.101 3.927 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.625 4.643 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.079 6.186 -1.035 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.355 6.191 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.932 4.833 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.492 3.819 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.201 4.015 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.998 7.017 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.310 6.285 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.344 7.613 -2.924 1.00 0.00 H new ATOM 778 N SER B 15 -4.070 5.991 1.104 1.00 0.00 N ATOM 779 CA SER B 15 -3.314 6.997 1.824 1.00 0.00 C ATOM 780 C SER B 15 -1.966 6.439 2.261 1.00 0.00 C ATOM 781 O SER B 15 -0.930 7.069 2.032 1.00 0.00 O ATOM 782 CB SER B 15 -4.111 7.501 3.032 1.00 0.00 C ATOM 783 OG SER B 15 -3.477 8.610 3.644 1.00 0.00 O ATOM 0 H SER B 15 -4.852 5.601 1.630 1.00 0.00 H new ATOM 0 HA SER B 15 -3.134 7.840 1.157 1.00 0.00 H new ATOM 0 HB2 SER B 15 -5.115 7.783 2.715 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.221 6.696 3.759 1.00 0.00 H new ATOM 0 HG SER B 15 -4.010 8.910 4.410 1.00 0.00 H new ATOM 789 N LYS B 16 -1.957 5.256 2.875 1.00 0.00 N ATOM 790 CA LYS B 16 -0.685 4.658 3.251 1.00 0.00 C ATOM 791 C LYS B 16 0.015 4.117 2.020 1.00 0.00 C ATOM 792 O LYS B 16 1.220 4.214 1.921 1.00 0.00 O ATOM 793 CB LYS B 16 -0.800 3.568 4.324 1.00 0.00 C ATOM 794 CG LYS B 16 -1.471 2.275 3.880 1.00 0.00 C ATOM 795 CD LYS B 16 -1.031 1.117 4.770 1.00 0.00 C ATOM 796 CE LYS B 16 -1.708 -0.190 4.392 1.00 0.00 C ATOM 797 NZ LYS B 16 -3.098 -0.270 4.909 1.00 0.00 N ATOM 0 H LYS B 16 -2.786 4.712 3.114 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.093 5.455 3.701 1.00 0.00 H new ATOM 0 HB2 LYS B 16 0.201 3.331 4.685 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.356 3.973 5.170 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.554 2.386 3.925 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.215 2.062 2.842 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.050 0.997 4.699 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -1.258 1.354 5.809 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.719 -0.291 3.307 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.127 -1.025 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -3.550 -1.138 4.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -3.081 -0.285 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -3.638 0.557 4.583 1.00 0.00 H new ATOM 811 N ASN B 17 -0.750 3.570 1.076 1.00 0.00 N ATOM 812 CA ASN B 17 -0.203 3.154 -0.220 1.00 0.00 C ATOM 813 C ASN B 17 0.558 4.304 -0.851 1.00 0.00 C ATOM 814 O ASN B 17 1.611 4.107 -1.440 1.00 0.00 O ATOM 815 CB ASN B 17 -1.331 2.734 -1.167 1.00 0.00 C ATOM 816 CG ASN B 17 -1.466 1.236 -1.311 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.480 0.508 -1.334 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.698 0.764 -1.414 1.00 0.00 N ATOM 0 H ASN B 17 -1.751 3.404 1.182 1.00 0.00 H new ATOM 0 HA ASN B 17 0.466 2.309 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.273 3.143 -0.802 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.153 3.172 -2.149 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -2.853 -0.239 -1.517 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.493 1.403 -1.390 1.00 0.00 H new ATOM 825 N TYR B 18 0.014 5.510 -0.718 1.00 0.00 N ATOM 826 CA TYR B 18 0.666 6.699 -1.250 1.00 0.00 C ATOM 827 C TYR B 18 2.052 6.873 -0.627 1.00 0.00 C ATOM 828 O TYR B 18 3.053 6.990 -1.334 1.00 0.00 O ATOM 829 CB TYR B 18 -0.196 7.938 -0.986 1.00 0.00 C ATOM 830 CG TYR B 18 0.384 9.219 -1.540 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.167 9.587 -2.861 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.152 10.058 -0.742 1.00 0.00 C ATOM 833 CE1 TYR B 18 0.700 10.756 -3.371 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.685 11.227 -1.245 1.00 0.00 C ATOM 835 CZ TYR B 18 1.457 11.571 -2.559 1.00 0.00 C ATOM 836 OH TYR B 18 1.995 12.732 -3.064 1.00 0.00 O ATOM 0 H TYR B 18 -0.874 5.688 -0.248 1.00 0.00 H new ATOM 0 HA TYR B 18 0.785 6.578 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.183 7.780 -1.420 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.335 8.049 0.089 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.427 8.950 -3.500 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.335 9.791 0.288 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.524 11.029 -4.401 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.278 11.869 -0.611 1.00 0.00 H new ATOM 0 HH TYR B 18 2.500 13.191 -2.361 1.00 0.00 H new ATOM 846 N HIS B 19 2.101 6.859 0.699 1.00 0.00 N ATOM 847 CA HIS B 19 3.352 7.044 1.425 1.00 0.00 C ATOM 848 C HIS B 19 4.257 5.824 1.258 1.00 0.00 C ATOM 849 O HIS B 19 5.453 5.953 1.027 1.00 0.00 O ATOM 850 CB HIS B 19 3.063 7.284 2.913 1.00 0.00 C ATOM 851 CG HIS B 19 4.269 7.679 3.717 1.00 0.00 C ATOM 852 ND1 HIS B 19 4.571 8.988 4.022 1.00 0.00 N ATOM 853 CD2 HIS B 19 5.242 6.929 4.290 1.00 0.00 C ATOM 854 CE1 HIS B 19 5.674 9.027 4.745 1.00 0.00 C ATOM 855 NE2 HIS B 19 6.101 7.792 4.923 1.00 0.00 N ATOM 0 H HIS B 19 1.286 6.721 1.296 1.00 0.00 H new ATOM 0 HA HIS B 19 3.866 7.914 1.015 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.308 8.065 3.004 1.00 0.00 H new ATOM 0 HB3 HIS B 19 2.636 6.376 3.340 1.00 0.00 H new ATOM 0 HD2 HIS B 19 5.326 5.853 4.255 1.00 0.00 H new ATOM 0 HE1 HIS B 19 6.147 9.920 5.127 1.00 0.00 H new ATOM 0 HE2 HIS B 19 6.934 7.522 5.446 1.00 0.00 H new ATOM 864 N LEU B 20 3.666 4.646 1.375 1.00 0.00 N ATOM 865 CA LEU B 20 4.375 3.391 1.292 1.00 0.00 C ATOM 866 C LEU B 20 4.966 3.165 -0.115 1.00 0.00 C ATOM 867 O LEU B 20 6.065 2.625 -0.247 1.00 0.00 O ATOM 868 CB LEU B 20 3.395 2.290 1.742 1.00 0.00 C ATOM 869 CG LEU B 20 3.766 0.862 1.421 1.00 0.00 C ATOM 870 CD1 LEU B 20 5.193 0.570 1.798 1.00 0.00 C ATOM 871 CD2 LEU B 20 2.861 -0.110 2.140 1.00 0.00 C ATOM 0 H LEU B 20 2.664 4.539 1.533 1.00 0.00 H new ATOM 0 HA LEU B 20 5.244 3.381 1.949 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.268 2.371 2.822 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.425 2.496 1.291 1.00 0.00 H new ATOM 0 HG LEU B 20 3.647 0.738 0.345 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.429 -0.466 1.554 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.858 1.233 1.245 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.327 0.731 2.868 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.151 -1.130 1.890 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.949 0.039 3.216 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.829 0.059 1.833 1.00 0.00 H new ATOM 883 N GLU B 21 4.275 3.619 -1.161 1.00 0.00 N ATOM 884 CA GLU B 21 4.827 3.550 -2.513 1.00 0.00 C ATOM 885 C GLU B 21 6.039 4.464 -2.635 1.00 0.00 C ATOM 886 O GLU B 21 7.014 4.138 -3.315 1.00 0.00 O ATOM 887 CB GLU B 21 3.779 3.921 -3.569 1.00 0.00 C ATOM 888 CG GLU B 21 2.834 2.786 -3.916 1.00 0.00 C ATOM 889 CD GLU B 21 1.769 3.194 -4.910 1.00 0.00 C ATOM 890 OE1 GLU B 21 2.107 3.399 -6.094 1.00 0.00 O ATOM 891 OE2 GLU B 21 0.592 3.295 -4.505 1.00 0.00 O ATOM 0 H GLU B 21 3.345 4.033 -1.100 1.00 0.00 H new ATOM 0 HA GLU B 21 5.134 2.520 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.197 4.769 -3.208 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.289 4.247 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.407 1.954 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.356 2.426 -3.005 1.00 0.00 H new ATOM 898 N ASN B 22 5.978 5.605 -1.959 1.00 0.00 N ATOM 899 CA ASN B 22 7.092 6.547 -1.944 1.00 0.00 C ATOM 900 C ASN B 22 8.215 6.016 -1.060 1.00 0.00 C ATOM 901 O ASN B 22 9.392 6.273 -1.305 1.00 0.00 O ATOM 902 CB ASN B 22 6.639 7.926 -1.448 1.00 0.00 C ATOM 903 CG ASN B 22 5.826 8.703 -2.474 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.108 8.001 -3.337 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 5.847 9.935 -2.492 1.00 0.00 N flip ATOM 0 H ASN B 22 5.169 5.901 -1.413 1.00 0.00 H new ATOM 0 HA ASN B 22 7.460 6.655 -2.964 1.00 0.00 H new ATOM 0 HB2 ASN B 22 6.044 7.801 -0.544 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.517 8.511 -1.173 1.00 0.00 H new ATOM 0 HD21 ASN B 22 6.411 10.445 -1.813 1.00 0.00 H new ATOM 0 HD22 ASN B 22 5.300 10.444 -3.186 1.00 0.00 H new ATOM 912 N GLU B 23 7.834 5.261 -0.036 1.00 0.00 N ATOM 913 CA GLU B 23 8.787 4.667 0.888 1.00 0.00 C ATOM 914 C GLU B 23 9.701 3.688 0.161 1.00 0.00 C ATOM 915 O GLU B 23 10.921 3.715 0.348 1.00 0.00 O ATOM 916 CB GLU B 23 8.047 3.955 2.023 1.00 0.00 C ATOM 917 CG GLU B 23 8.954 3.472 3.142 1.00 0.00 C ATOM 918 CD GLU B 23 9.662 4.612 3.853 1.00 0.00 C ATOM 919 OE1 GLU B 23 10.802 4.936 3.464 1.00 0.00 O ATOM 920 OE2 GLU B 23 9.072 5.178 4.797 1.00 0.00 O ATOM 0 H GLU B 23 6.860 5.045 0.175 1.00 0.00 H new ATOM 0 HA GLU B 23 9.401 5.463 1.310 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.302 4.633 2.440 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.507 3.102 1.612 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.364 2.908 3.865 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.697 2.787 2.733 1.00 0.00 H new ATOM 927 N VAL B 24 9.111 2.830 -0.668 1.00 0.00 N ATOM 928 CA VAL B 24 9.891 1.904 -1.477 1.00 0.00 C ATOM 929 C VAL B 24 10.809 2.676 -2.423 1.00 0.00 C ATOM 930 O VAL B 24 11.981 2.339 -2.579 1.00 0.00 O ATOM 931 CB VAL B 24 8.998 0.938 -2.303 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.818 0.204 -3.349 1.00 0.00 C ATOM 933 CG2 VAL B 24 8.349 -0.076 -1.405 1.00 0.00 C ATOM 0 H VAL B 24 8.101 2.759 -0.795 1.00 0.00 H new ATOM 0 HA VAL B 24 10.482 1.302 -0.787 1.00 0.00 H new ATOM 0 HB VAL B 24 8.234 1.539 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.171 -0.466 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.273 0.926 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.600 -0.375 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.727 -0.744 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL B 24 9.118 -0.655 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.730 0.435 -0.667 1.00 0.00 H new ATOM 943 N ALA B 25 10.266 3.732 -3.027 1.00 0.00 N ATOM 944 CA ALA B 25 11.009 4.549 -3.979 1.00 0.00 C ATOM 945 C ALA B 25 12.281 5.114 -3.355 1.00 0.00 C ATOM 946 O ALA B 25 13.354 5.069 -3.964 1.00 0.00 O ATOM 947 CB ALA B 25 10.129 5.679 -4.497 1.00 0.00 C ATOM 0 H ALA B 25 9.307 4.042 -2.871 1.00 0.00 H new ATOM 0 HA ALA B 25 11.302 3.911 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.693 6.283 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.253 5.260 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.810 6.303 -3.663 1.00 0.00 H new ATOM 953 N ARG B 26 12.160 5.639 -2.138 1.00 0.00 N ATOM 954 CA ARG B 26 13.310 6.179 -1.421 1.00 0.00 C ATOM 955 C ARG B 26 14.351 5.092 -1.198 1.00 0.00 C ATOM 956 O ARG B 26 15.518 5.253 -1.544 1.00 0.00 O ATOM 957 CB ARG B 26 12.891 6.772 -0.074 1.00 0.00 C ATOM 958 CG ARG B 26 11.903 7.919 -0.183 1.00 0.00 C ATOM 959 CD ARG B 26 11.686 8.590 1.162 1.00 0.00 C ATOM 960 NE ARG B 26 12.900 9.250 1.645 1.00 0.00 N ATOM 961 CZ ARG B 26 12.981 9.923 2.793 1.00 0.00 C ATOM 962 NH1 ARG B 26 11.932 9.998 3.603 1.00 0.00 N ATOM 963 NH2 ARG B 26 14.118 10.515 3.133 1.00 0.00 N ATOM 0 H ARG B 26 11.278 5.701 -1.629 1.00 0.00 H new ATOM 0 HA ARG B 26 13.741 6.973 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.451 5.984 0.537 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.781 7.121 0.450 1.00 0.00 H new ATOM 0 HG2 ARG B 26 12.270 8.651 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG B 26 10.952 7.547 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG B 26 10.884 9.323 1.077 1.00 0.00 H new ATOM 0 HD3 ARG B 26 11.363 7.847 1.891 1.00 0.00 H new ATOM 0 HE ARG B 26 13.738 9.191 1.066 1.00 0.00 H new ATOM 0 HH11 ARG B 26 11.057 9.539 3.349 1.00 0.00 H new ATOM 0 HH12 ARG B 26 12.001 10.514 4.480 1.00 0.00 H new ATOM 0 HH21 ARG B 26 14.928 10.455 2.517 1.00 0.00 H new ATOM 0 HH22 ARG B 26 14.182 11.030 4.011 1.00 0.00 H new ATOM 977 N LEU B 27 13.907 3.974 -0.639 1.00 0.00 N ATOM 978 CA LEU B 27 14.785 2.842 -0.356 1.00 0.00 C ATOM 979 C LEU B 27 15.469 2.337 -1.627 1.00 0.00 C ATOM 980 O LEU B 27 16.644 1.962 -1.603 1.00 0.00 O ATOM 981 CB LEU B 27 13.982 1.713 0.285 1.00 0.00 C ATOM 982 CG LEU B 27 13.943 1.686 1.819 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.705 3.066 2.405 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.856 0.736 2.285 1.00 0.00 C ATOM 0 H LEU B 27 12.935 3.825 -0.370 1.00 0.00 H new ATOM 0 HA LEU B 27 15.560 3.178 0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.957 1.773 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.390 0.764 -0.063 1.00 0.00 H new ATOM 0 HG LEU B 27 14.916 1.341 2.170 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.685 3.001 3.493 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.508 3.736 2.097 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.751 3.454 2.047 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.830 0.719 3.375 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.891 1.072 1.905 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.064 -0.266 1.911 1.00 0.00 H new ATOM 996 N LYS B 28 14.731 2.339 -2.736 1.00 0.00 N ATOM 997 CA LYS B 28 15.275 1.911 -4.022 1.00 0.00 C ATOM 998 C LYS B 28 16.439 2.797 -4.460 1.00 0.00 C ATOM 999 O LYS B 28 17.304 2.358 -5.211 1.00 0.00 O ATOM 1000 CB LYS B 28 14.195 1.920 -5.109 1.00 0.00 C ATOM 1001 CG LYS B 28 13.272 0.712 -5.080 1.00 0.00 C ATOM 1002 CD LYS B 28 14.046 -0.586 -5.262 1.00 0.00 C ATOM 1003 CE LYS B 28 13.118 -1.781 -5.417 1.00 0.00 C ATOM 1004 NZ LYS B 28 12.360 -1.735 -6.695 1.00 0.00 N ATOM 0 H LYS B 28 13.755 2.632 -2.769 1.00 0.00 H new ATOM 0 HA LYS B 28 15.640 0.893 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.595 2.824 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.678 1.971 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.734 0.686 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.525 0.805 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.686 -0.507 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.700 -0.743 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS B 28 13.701 -2.701 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.419 -1.808 -4.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 11.926 -2.663 -6.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.616 -1.012 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 13.007 -1.498 -7.474 1.00 0.00 H new ATOM 1018 N LYS B 29 16.454 4.042 -3.998 1.00 0.00 N ATOM 1019 CA LYS B 29 17.536 4.961 -4.329 1.00 0.00 C ATOM 1020 C LYS B 29 18.771 4.659 -3.486 1.00 0.00 C ATOM 1021 O LYS B 29 19.902 4.757 -3.958 1.00 0.00 O ATOM 1022 CB LYS B 29 17.100 6.413 -4.119 1.00 0.00 C ATOM 1023 CG LYS B 29 18.164 7.423 -4.516 1.00 0.00 C ATOM 1024 CD LYS B 29 17.687 8.851 -4.324 1.00 0.00 C ATOM 1025 CE LYS B 29 18.748 9.850 -4.759 1.00 0.00 C ATOM 1026 NZ LYS B 29 19.096 9.701 -6.199 1.00 0.00 N ATOM 0 H LYS B 29 15.732 4.437 -3.395 1.00 0.00 H new ATOM 0 HA LYS B 29 17.786 4.823 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.196 6.601 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.843 6.560 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS B 29 19.062 7.257 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.440 7.269 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.775 9.013 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.437 9.016 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.390 10.863 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS B 29 19.644 9.714 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 19.633 10.534 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 19.674 8.846 -6.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 18.224 9.619 -6.760 1.00 0.00 H new ATOM 1040 N LEU B 30 18.542 4.265 -2.242 1.00 0.00 N ATOM 1041 CA LEU B 30 19.628 3.950 -1.321 1.00 0.00 C ATOM 1042 C LEU B 30 20.309 2.652 -1.731 1.00 0.00 C ATOM 1043 O LEU B 30 21.536 2.557 -1.737 1.00 0.00 O ATOM 1044 CB LEU B 30 19.118 3.852 0.123 1.00 0.00 C ATOM 1045 CG LEU B 30 18.933 5.187 0.857 1.00 0.00 C ATOM 1046 CD1 LEU B 30 17.858 6.040 0.203 1.00 0.00 C ATOM 1047 CD2 LEU B 30 18.596 4.945 2.318 1.00 0.00 C ATOM 0 H LEU B 30 17.609 4.155 -1.844 1.00 0.00 H new ATOM 0 HA LEU B 30 20.356 4.760 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.163 3.327 0.116 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.815 3.238 0.694 1.00 0.00 H new ATOM 0 HG LEU B 30 19.875 5.732 0.795 1.00 0.00 H new ATOM 0 HD11 LEU B 30 17.755 6.977 0.750 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.139 6.251 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU B 30 16.909 5.504 0.219 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.468 5.901 2.825 1.00 0.00 H new ATOM 0 HD22 LEU B 30 17.672 4.371 2.388 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.406 4.389 2.791 1.00 0.00 H new ATOM 1059 N VAL B 31 19.503 1.657 -2.084 1.00 0.00 N ATOM 1060 CA VAL B 31 20.025 0.403 -2.611 1.00 0.00 C ATOM 1061 C VAL B 31 20.514 0.619 -4.040 1.00 0.00 C ATOM 1062 O VAL B 31 21.404 -0.078 -4.532 1.00 0.00 O ATOM 1063 CB VAL B 31 18.948 -0.707 -2.605 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.521 -2.025 -3.103 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.351 -0.876 -1.217 1.00 0.00 C ATOM 0 H VAL B 31 18.486 1.695 -2.015 1.00 0.00 H new ATOM 0 HA VAL B 31 20.848 0.084 -1.971 1.00 0.00 H new ATOM 0 HB VAL B 31 18.152 -0.403 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.743 -2.788 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.888 -1.900 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.343 -2.332 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.596 -1.662 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL B 31 19.138 -1.148 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.890 0.061 -0.903 1.00 0.00 H new ATOM 1075 N GLY B 32 19.924 1.614 -4.686 1.00 0.00 N ATOM 1076 CA GLY B 32 20.235 1.918 -6.063 1.00 0.00 C ATOM 1077 C GLY B 32 21.614 2.515 -6.240 1.00 0.00 C ATOM 1078 O GLY B 32 22.234 2.334 -7.287 1.00 0.00 O ATOM 0 H GLY B 32 19.222 2.226 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY B 32 20.161 1.007 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.491 2.613 -6.453 1.00 0.00 H new ATOM 1082 N GLU B 33 22.082 3.222 -5.214 1.00 0.00 N ATOM 1083 CA GLU B 33 23.389 3.874 -5.237 1.00 0.00 C ATOM 1084 C GLU B 33 23.413 4.971 -6.303 1.00 0.00 C ATOM 1085 O GLU B 33 23.938 4.733 -7.412 1.00 0.00 O ATOM 1086 CB GLU B 33 24.508 2.849 -5.478 1.00 0.00 C ATOM 1087 CG GLU B 33 25.909 3.417 -5.321 1.00 0.00 C ATOM 1088 CD GLU B 33 26.988 2.413 -5.675 1.00 0.00 C ATOM 1089 OE1 GLU B 33 27.343 2.323 -6.870 1.00 0.00 O ATOM 1090 OE2 GLU B 33 27.481 1.722 -4.762 1.00 0.00 O ATOM 1091 OXT GLU B 33 22.881 6.068 -6.030 1.00 0.00 O ATOM 0 H GLU B 33 21.567 3.359 -4.344 1.00 0.00 H new ATOM 0 HA GLU B 33 23.564 4.334 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU B 33 24.383 2.019 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU B 33 24.403 2.441 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU B 33 26.014 4.297 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU B 33 26.050 3.748 -4.292 1.00 0.00 H new TER 1098 GLU B 33