USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 541 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 SER OG : rot 180:sc= -0.0768 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 39:sc= 1.23 USER MOD Single : A 5 SER OG : rot 180:sc= -0.368 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -170:sc=-0.00543 (180deg=-0.118) USER MOD Single : A 13 MET CE :methyl -108:sc= 0 (180deg=-1.34!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -138:sc= 0.0852 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.055 X(o=-0.055,f=-0.055) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -124:sc= -1.01 (180deg=-2.04) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -51:sc= 0.618 USER MOD Single : A 55 SER OG : rot 180:sc= -0.127 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-0.36) USER MOD Single : A 71 HIS : no HD1:sc= -2.03 K(o=-2,f=-0.63) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.600 14.681 -42.551 1.00 0.00 N ATOM 2 CA GLY A 1 -27.028 13.733 -41.538 1.00 0.00 C ATOM 3 C GLY A 1 -25.907 13.347 -40.594 1.00 0.00 C ATOM 4 O GLY A 1 -25.010 12.588 -40.962 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.402 14.913 -43.171 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.256 15.548 -42.092 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.835 14.262 -43.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.849 14.164 -40.965 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.414 12.837 -42.024 1.00 0.00 H new ATOM 8 N SER A 2 -25.956 13.871 -39.374 1.00 0.00 N ATOM 9 CA SER A 2 -24.933 13.581 -38.376 1.00 0.00 C ATOM 10 C SER A 2 -25.552 12.957 -37.129 1.00 0.00 C ATOM 11 O SER A 2 -26.423 13.550 -36.492 1.00 0.00 O ATOM 12 CB SER A 2 -24.179 14.858 -38.000 1.00 0.00 C ATOM 13 OG SER A 2 -23.116 15.107 -38.903 1.00 0.00 O ATOM 0 H SER A 2 -26.693 14.499 -39.053 1.00 0.00 H new ATOM 0 HA SER A 2 -24.231 12.868 -38.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.867 15.704 -38.001 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.786 14.767 -36.987 1.00 0.00 H new ATOM 0 HG SER A 2 -22.651 15.929 -38.642 1.00 0.00 H new ATOM 19 N SER A 3 -25.097 11.756 -36.787 1.00 0.00 N ATOM 20 CA SER A 3 -25.608 11.048 -35.619 1.00 0.00 C ATOM 21 C SER A 3 -24.766 9.811 -35.321 1.00 0.00 C ATOM 22 O SER A 3 -24.430 9.044 -36.222 1.00 0.00 O ATOM 23 CB SER A 3 -27.067 10.645 -35.838 1.00 0.00 C ATOM 24 OG SER A 3 -27.948 11.685 -35.447 1.00 0.00 O ATOM 0 H SER A 3 -24.375 11.253 -37.302 1.00 0.00 H new ATOM 0 HA SER A 3 -25.549 11.721 -34.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.227 10.404 -36.889 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.288 9.743 -35.267 1.00 0.00 H new ATOM 0 HG SER A 3 -27.569 12.550 -35.708 1.00 0.00 H new ATOM 30 N GLY A 4 -24.429 9.624 -34.049 1.00 0.00 N ATOM 31 CA GLY A 4 -23.629 8.480 -33.654 1.00 0.00 C ATOM 32 C GLY A 4 -23.578 8.300 -32.149 1.00 0.00 C ATOM 33 O GLY A 4 -22.574 8.621 -31.513 1.00 0.00 O ATOM 0 H GLY A 4 -24.696 10.245 -33.285 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.038 7.579 -34.111 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.616 8.599 -34.037 1.00 0.00 H new ATOM 37 N SER A 5 -24.663 7.786 -31.579 1.00 0.00 N ATOM 38 CA SER A 5 -24.739 7.569 -30.139 1.00 0.00 C ATOM 39 C SER A 5 -24.946 6.091 -29.823 1.00 0.00 C ATOM 40 O SER A 5 -25.787 5.427 -30.429 1.00 0.00 O ATOM 41 CB SER A 5 -25.877 8.395 -29.537 1.00 0.00 C ATOM 42 OG SER A 5 -26.172 7.973 -28.217 1.00 0.00 O ATOM 0 H SER A 5 -25.501 7.512 -32.092 1.00 0.00 H new ATOM 0 HA SER A 5 -23.795 7.888 -29.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.601 9.450 -29.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.767 8.301 -30.159 1.00 0.00 H new ATOM 0 HG SER A 5 -26.902 8.518 -27.855 1.00 0.00 H new ATOM 48 N SER A 6 -24.174 5.583 -28.868 1.00 0.00 N ATOM 49 CA SER A 6 -24.269 4.182 -28.472 1.00 0.00 C ATOM 50 C SER A 6 -23.459 3.919 -27.206 1.00 0.00 C ATOM 51 O SER A 6 -22.361 4.447 -27.038 1.00 0.00 O ATOM 52 CB SER A 6 -23.778 3.276 -29.603 1.00 0.00 C ATOM 53 OG SER A 6 -23.737 1.921 -29.190 1.00 0.00 O ATOM 0 H SER A 6 -23.476 6.120 -28.354 1.00 0.00 H new ATOM 0 HA SER A 6 -25.316 3.959 -28.266 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.437 3.377 -30.466 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.785 3.593 -29.922 1.00 0.00 H new ATOM 0 HG SER A 6 -23.422 1.363 -29.931 1.00 0.00 H new ATOM 59 N GLY A 7 -24.012 3.099 -26.318 1.00 0.00 N ATOM 60 CA GLY A 7 -23.328 2.779 -25.078 1.00 0.00 C ATOM 61 C GLY A 7 -24.226 2.928 -23.866 1.00 0.00 C ATOM 62 O GLY A 7 -25.043 2.053 -23.577 1.00 0.00 O ATOM 0 H GLY A 7 -24.921 2.651 -26.435 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.954 1.756 -25.126 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.461 3.430 -24.966 1.00 0.00 H new ATOM 66 N LYS A 8 -24.075 4.038 -23.152 1.00 0.00 N ATOM 67 CA LYS A 8 -24.878 4.300 -21.964 1.00 0.00 C ATOM 68 C LYS A 8 -24.658 3.220 -20.909 1.00 0.00 C ATOM 69 O LYS A 8 -25.608 2.739 -20.292 1.00 0.00 O ATOM 70 CB LYS A 8 -26.362 4.373 -22.332 1.00 0.00 C ATOM 71 CG LYS A 8 -26.779 5.711 -22.917 1.00 0.00 C ATOM 72 CD LYS A 8 -26.524 5.768 -24.414 1.00 0.00 C ATOM 73 CE LYS A 8 -26.922 7.115 -24.997 1.00 0.00 C ATOM 74 NZ LYS A 8 -28.388 7.354 -24.891 1.00 0.00 N ATOM 0 H LYS A 8 -23.403 4.772 -23.376 1.00 0.00 H new ATOM 0 HA LYS A 8 -24.565 5.258 -21.549 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.589 3.585 -23.051 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.959 4.173 -21.442 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.838 5.881 -22.720 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.230 6.512 -22.423 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -25.468 5.583 -24.611 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -27.085 4.976 -24.910 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -26.386 7.909 -24.476 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -26.621 7.161 -26.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -28.643 8.196 -25.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -28.902 6.528 -25.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -28.644 7.505 -23.894 1.00 0.00 H new ATOM 88 N ASP A 9 -23.399 2.845 -20.708 1.00 0.00 N ATOM 89 CA ASP A 9 -23.054 1.824 -19.726 1.00 0.00 C ATOM 90 C ASP A 9 -22.419 2.452 -18.489 1.00 0.00 C ATOM 91 O ASP A 9 -21.462 3.220 -18.591 1.00 0.00 O ATOM 92 CB ASP A 9 -22.099 0.799 -20.339 1.00 0.00 C ATOM 93 CG ASP A 9 -21.408 -0.050 -19.290 1.00 0.00 C ATOM 94 OD1 ASP A 9 -22.032 -1.017 -18.805 1.00 0.00 O ATOM 95 OD2 ASP A 9 -20.245 0.254 -18.952 1.00 0.00 O ATOM 0 H ASP A 9 -22.601 3.233 -21.212 1.00 0.00 H new ATOM 0 HA ASP A 9 -23.972 1.320 -19.425 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.653 0.152 -21.018 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -21.348 1.318 -20.935 1.00 0.00 H new ATOM 100 N PHE A 10 -22.959 2.121 -17.320 1.00 0.00 N ATOM 101 CA PHE A 10 -22.447 2.654 -16.064 1.00 0.00 C ATOM 102 C PHE A 10 -21.149 1.957 -15.665 1.00 0.00 C ATOM 103 O PHE A 10 -20.679 1.053 -16.357 1.00 0.00 O ATOM 104 CB PHE A 10 -23.487 2.491 -14.954 1.00 0.00 C ATOM 105 CG PHE A 10 -24.643 3.443 -15.072 1.00 0.00 C ATOM 106 CD1 PHE A 10 -25.393 3.503 -16.236 1.00 0.00 C ATOM 107 CD2 PHE A 10 -24.981 4.278 -14.019 1.00 0.00 C ATOM 108 CE1 PHE A 10 -26.456 4.378 -16.347 1.00 0.00 C ATOM 109 CE2 PHE A 10 -26.044 5.155 -14.124 1.00 0.00 C ATOM 110 CZ PHE A 10 -26.783 5.204 -15.290 1.00 0.00 C ATOM 0 H PHE A 10 -23.751 1.486 -17.217 1.00 0.00 H new ATOM 0 HA PHE A 10 -22.241 3.715 -16.207 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -23.865 1.469 -14.969 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -23.003 2.638 -13.989 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -25.143 2.858 -17.066 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -24.407 4.243 -13.105 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -27.031 4.416 -17.260 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -26.296 5.801 -13.296 1.00 0.00 H new ATOM 0 HZ PHE A 10 -27.615 5.887 -15.375 1.00 0.00 H new ATOM 120 N LEU A 11 -20.574 2.384 -14.546 1.00 0.00 N ATOM 121 CA LEU A 11 -19.330 1.802 -14.055 1.00 0.00 C ATOM 122 C LEU A 11 -19.297 0.298 -14.305 1.00 0.00 C ATOM 123 O LEU A 11 -18.406 -0.208 -14.986 1.00 0.00 O ATOM 124 CB LEU A 11 -19.167 2.086 -12.561 1.00 0.00 C ATOM 125 CG LEU A 11 -19.241 3.555 -12.145 1.00 0.00 C ATOM 126 CD1 LEU A 11 -19.769 3.682 -10.724 1.00 0.00 C ATOM 127 CD2 LEU A 11 -17.876 4.215 -12.269 1.00 0.00 C ATOM 0 H LEU A 11 -20.949 3.131 -13.962 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.503 2.260 -14.598 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -19.938 1.537 -12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -18.206 1.686 -12.238 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.932 4.067 -12.815 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.815 4.735 -10.446 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.767 3.248 -10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.104 3.154 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.949 5.260 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -17.163 3.701 -11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -17.537 4.158 -13.303 1.00 0.00 H new ATOM 139 N ALA A 12 -20.275 -0.411 -13.750 1.00 0.00 N ATOM 140 CA ALA A 12 -20.360 -1.857 -13.917 1.00 0.00 C ATOM 141 C ALA A 12 -18.997 -2.512 -13.724 1.00 0.00 C ATOM 142 O ALA A 12 -18.600 -3.380 -14.501 1.00 0.00 O ATOM 143 CB ALA A 12 -20.922 -2.198 -15.289 1.00 0.00 C ATOM 0 H ALA A 12 -21.019 -0.008 -13.181 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.033 -2.247 -13.154 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.980 -3.281 -15.400 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.919 -1.769 -15.391 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.270 -1.789 -16.061 1.00 0.00 H new ATOM 149 N MET A 13 -18.284 -2.091 -12.684 1.00 0.00 N ATOM 150 CA MET A 13 -16.965 -2.639 -12.390 1.00 0.00 C ATOM 151 C MET A 13 -16.571 -2.358 -10.943 1.00 0.00 C ATOM 152 O MET A 13 -16.497 -1.204 -10.522 1.00 0.00 O ATOM 153 CB MET A 13 -15.921 -2.048 -13.339 1.00 0.00 C ATOM 154 CG MET A 13 -15.783 -0.538 -13.227 1.00 0.00 C ATOM 155 SD MET A 13 -14.956 0.191 -14.654 1.00 0.00 S ATOM 156 CE MET A 13 -15.513 1.889 -14.537 1.00 0.00 C ATOM 0 H MET A 13 -18.597 -1.373 -12.031 1.00 0.00 H new ATOM 0 HA MET A 13 -17.006 -3.719 -12.534 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.955 -2.509 -13.135 1.00 0.00 H new ATOM 0 HB3 MET A 13 -16.187 -2.305 -14.364 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.772 -0.094 -13.119 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.224 -0.294 -12.324 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.232 2.092 -15.331 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.987 2.051 -13.569 1.00 0.00 H new ATOM 0 HE3 MET A 13 -14.660 2.560 -14.640 1.00 0.00 H new ATOM 166 N PHE A 14 -16.318 -3.421 -10.187 1.00 0.00 N ATOM 167 CA PHE A 14 -15.932 -3.289 -8.787 1.00 0.00 C ATOM 168 C PHE A 14 -14.607 -3.996 -8.519 1.00 0.00 C ATOM 169 O PHE A 14 -13.706 -3.433 -7.897 1.00 0.00 O ATOM 170 CB PHE A 14 -17.022 -3.864 -7.879 1.00 0.00 C ATOM 171 CG PHE A 14 -16.673 -3.815 -6.419 1.00 0.00 C ATOM 172 CD1 PHE A 14 -15.856 -4.782 -5.856 1.00 0.00 C ATOM 173 CD2 PHE A 14 -17.163 -2.803 -5.610 1.00 0.00 C ATOM 174 CE1 PHE A 14 -15.533 -4.740 -4.512 1.00 0.00 C ATOM 175 CE2 PHE A 14 -16.843 -2.755 -4.266 1.00 0.00 C ATOM 176 CZ PHE A 14 -16.028 -3.726 -3.716 1.00 0.00 C ATOM 0 H PHE A 14 -16.373 -4.383 -10.520 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.808 -2.228 -8.569 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.948 -3.312 -8.042 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.213 -4.899 -8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -15.467 -5.578 -6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.802 -2.043 -6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.894 -5.499 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.230 -1.959 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.779 -3.692 -2.666 1.00 0.00 H new ATOM 186 N SER A 15 -14.495 -5.232 -8.993 1.00 0.00 N ATOM 187 CA SER A 15 -13.282 -6.018 -8.802 1.00 0.00 C ATOM 188 C SER A 15 -12.100 -5.376 -9.521 1.00 0.00 C ATOM 189 O SER A 15 -12.257 -4.653 -10.504 1.00 0.00 O ATOM 190 CB SER A 15 -13.489 -7.446 -9.310 1.00 0.00 C ATOM 191 OG SER A 15 -14.497 -8.111 -8.569 1.00 0.00 O ATOM 0 H SER A 15 -15.230 -5.711 -9.513 1.00 0.00 H new ATOM 0 HA SER A 15 -13.062 -6.048 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.764 -7.424 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.554 -8.001 -9.236 1.00 0.00 H new ATOM 0 HG SER A 15 -14.611 -9.021 -8.915 1.00 0.00 H new ATOM 197 N PRO A 16 -10.886 -5.646 -9.019 1.00 0.00 N ATOM 198 CA PRO A 16 -9.652 -5.106 -9.597 1.00 0.00 C ATOM 199 C PRO A 16 -9.333 -5.717 -10.957 1.00 0.00 C ATOM 200 O PRO A 16 -9.900 -6.741 -11.338 1.00 0.00 O ATOM 201 CB PRO A 16 -8.581 -5.492 -8.573 1.00 0.00 C ATOM 202 CG PRO A 16 -9.133 -6.692 -7.883 1.00 0.00 C ATOM 203 CD PRO A 16 -10.624 -6.501 -7.848 1.00 0.00 C ATOM 0 HA PRO A 16 -9.722 -4.033 -9.777 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.631 -5.716 -9.059 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.395 -4.681 -7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.869 -7.605 -8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.728 -6.784 -6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.153 -7.452 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.947 -6.024 -6.922 1.00 0.00 H new ATOM 211 N LYS A 17 -8.422 -5.082 -11.687 1.00 0.00 N ATOM 212 CA LYS A 17 -8.026 -5.563 -13.005 1.00 0.00 C ATOM 213 C LYS A 17 -6.511 -5.495 -13.176 1.00 0.00 C ATOM 214 O LYS A 17 -5.849 -4.632 -12.599 1.00 0.00 O ATOM 215 CB LYS A 17 -8.710 -4.740 -14.098 1.00 0.00 C ATOM 216 CG LYS A 17 -10.194 -4.524 -13.858 1.00 0.00 C ATOM 217 CD LYS A 17 -10.794 -3.577 -14.884 1.00 0.00 C ATOM 218 CE LYS A 17 -11.349 -4.333 -16.082 1.00 0.00 C ATOM 219 NZ LYS A 17 -11.920 -3.412 -17.103 1.00 0.00 N ATOM 0 H LYS A 17 -7.944 -4.232 -11.388 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.338 -6.604 -13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.218 -3.770 -14.173 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.575 -5.241 -15.057 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.713 -5.482 -13.899 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.346 -4.121 -12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.589 -2.993 -14.421 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.033 -2.871 -15.218 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.557 -4.930 -16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.120 -5.028 -15.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.813 -3.805 -17.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.100 -2.483 -16.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.247 -3.304 -17.888 1.00 0.00 H new ATOM 233 N CYS A 18 -5.969 -6.410 -13.973 1.00 0.00 N ATOM 234 CA CYS A 18 -4.533 -6.454 -14.222 1.00 0.00 C ATOM 235 C CYS A 18 -3.990 -5.059 -14.518 1.00 0.00 C ATOM 236 O CYS A 18 -4.603 -4.285 -15.251 1.00 0.00 O ATOM 237 CB CYS A 18 -4.226 -7.392 -15.391 1.00 0.00 C ATOM 238 SG CYS A 18 -2.667 -7.016 -16.255 1.00 0.00 S ATOM 0 H CYS A 18 -6.503 -7.131 -14.458 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.044 -6.832 -13.324 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.186 -8.416 -15.020 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.047 -7.344 -16.107 1.00 0.00 H new ATOM 243 N GLY A 19 -2.832 -4.747 -13.942 1.00 0.00 N ATOM 244 CA GLY A 19 -2.225 -3.446 -14.156 1.00 0.00 C ATOM 245 C GLY A 19 -1.503 -3.355 -15.486 1.00 0.00 C ATOM 246 O GLY A 19 -0.433 -2.755 -15.580 1.00 0.00 O ATOM 0 H GLY A 19 -2.304 -5.371 -13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.996 -2.677 -14.111 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.522 -3.239 -13.349 1.00 0.00 H new ATOM 250 N GLY A 20 -2.089 -3.955 -16.518 1.00 0.00 N ATOM 251 CA GLY A 20 -1.479 -3.929 -17.835 1.00 0.00 C ATOM 252 C GLY A 20 -2.506 -3.953 -18.950 1.00 0.00 C ATOM 253 O GLY A 20 -2.556 -3.043 -19.777 1.00 0.00 O ATOM 0 H GLY A 20 -2.975 -4.458 -16.466 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.865 -3.033 -17.930 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.813 -4.785 -17.940 1.00 0.00 H new ATOM 257 N CYS A 21 -3.326 -4.998 -18.974 1.00 0.00 N ATOM 258 CA CYS A 21 -4.356 -5.140 -19.996 1.00 0.00 C ATOM 259 C CYS A 21 -5.671 -4.520 -19.533 1.00 0.00 C ATOM 260 O CYS A 21 -6.569 -4.273 -20.336 1.00 0.00 O ATOM 261 CB CYS A 21 -4.567 -6.616 -20.337 1.00 0.00 C ATOM 262 SG CYS A 21 -3.062 -7.633 -20.200 1.00 0.00 S ATOM 0 H CYS A 21 -3.297 -5.760 -18.296 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.021 -4.613 -20.889 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.331 -7.025 -19.675 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.952 -6.692 -21.354 1.00 0.00 H new ATOM 267 N ASN A 22 -5.776 -4.272 -18.231 1.00 0.00 N ATOM 268 CA ASN A 22 -6.981 -3.682 -17.660 1.00 0.00 C ATOM 269 C ASN A 22 -8.158 -4.648 -17.756 1.00 0.00 C ATOM 270 O ASN A 22 -9.249 -4.273 -18.185 1.00 0.00 O ATOM 271 CB ASN A 22 -7.322 -2.373 -18.377 1.00 0.00 C ATOM 272 CG ASN A 22 -6.131 -1.440 -18.474 1.00 0.00 C ATOM 273 OD1 ASN A 22 -5.656 -1.133 -19.567 1.00 0.00 O ATOM 274 ND2 ASN A 22 -5.641 -0.985 -17.326 1.00 0.00 N ATOM 0 H ASN A 22 -5.041 -4.471 -17.552 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.790 -3.474 -16.607 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.688 -2.596 -19.379 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.131 -1.871 -17.846 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.839 -0.355 -17.328 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.067 -1.266 -16.443 1.00 0.00 H new ATOM 281 N ARG A 23 -7.928 -5.893 -17.352 1.00 0.00 N ATOM 282 CA ARG A 23 -8.969 -6.914 -17.392 1.00 0.00 C ATOM 283 C ARG A 23 -9.284 -7.425 -15.990 1.00 0.00 C ATOM 284 O ARG A 23 -8.431 -7.441 -15.102 1.00 0.00 O ATOM 285 CB ARG A 23 -8.536 -8.078 -18.286 1.00 0.00 C ATOM 286 CG ARG A 23 -8.897 -7.889 -19.750 1.00 0.00 C ATOM 287 CD ARG A 23 -9.172 -9.219 -20.433 1.00 0.00 C ATOM 288 NE ARG A 23 -10.480 -9.760 -20.071 1.00 0.00 N ATOM 289 CZ ARG A 23 -11.631 -9.211 -20.443 1.00 0.00 C ATOM 290 NH1 ARG A 23 -11.636 -8.112 -21.185 1.00 0.00 N ATOM 291 NH2 ARG A 23 -12.780 -9.761 -20.074 1.00 0.00 N ATOM 0 H ARG A 23 -7.031 -6.219 -16.993 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.871 -6.462 -17.806 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.457 -8.209 -18.201 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.998 -8.996 -17.922 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.776 -7.250 -19.829 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.083 -7.377 -20.263 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.120 -9.089 -21.514 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.396 -9.934 -20.160 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.511 -10.606 -19.501 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.755 -7.686 -21.472 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.521 -7.693 -21.469 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.781 -10.607 -19.504 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.663 -9.338 -20.360 1.00 0.00 H new ATOM 305 N PRO A 24 -10.538 -7.852 -15.783 1.00 0.00 N ATOM 306 CA PRO A 24 -10.995 -8.372 -14.491 1.00 0.00 C ATOM 307 C PRO A 24 -10.375 -9.724 -14.158 1.00 0.00 C ATOM 308 O PRO A 24 -10.792 -10.756 -14.683 1.00 0.00 O ATOM 309 CB PRO A 24 -12.508 -8.509 -14.678 1.00 0.00 C ATOM 310 CG PRO A 24 -12.694 -8.674 -16.147 1.00 0.00 C ATOM 311 CD PRO A 24 -11.607 -7.862 -16.796 1.00 0.00 C ATOM 0 HA PRO A 24 -10.711 -7.719 -13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.899 -9.367 -14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.034 -7.629 -14.309 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.622 -9.723 -16.434 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.679 -8.326 -16.457 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.272 -8.313 -17.730 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.946 -6.853 -17.033 1.00 0.00 H new ATOM 319 N VAL A 25 -9.376 -9.713 -13.280 1.00 0.00 N ATOM 320 CA VAL A 25 -8.699 -10.939 -12.876 1.00 0.00 C ATOM 321 C VAL A 25 -9.477 -11.660 -11.781 1.00 0.00 C ATOM 322 O VAL A 25 -9.946 -11.040 -10.825 1.00 0.00 O ATOM 323 CB VAL A 25 -7.272 -10.652 -12.372 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.292 -10.621 -13.535 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.234 -9.345 -11.596 1.00 0.00 C ATOM 0 H VAL A 25 -9.018 -8.868 -12.835 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.643 -11.576 -13.759 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.974 -11.456 -11.698 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.289 -10.417 -13.160 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.300 -11.585 -14.044 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.584 -9.839 -14.236 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.218 -9.158 -11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.551 -8.528 -12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.905 -9.411 -10.740 1.00 0.00 H new ATOM 335 N LEU A 26 -9.611 -12.974 -11.926 1.00 0.00 N ATOM 336 CA LEU A 26 -10.332 -13.782 -10.948 1.00 0.00 C ATOM 337 C LEU A 26 -9.538 -15.032 -10.583 1.00 0.00 C ATOM 338 O LEU A 26 -9.192 -15.240 -9.420 1.00 0.00 O ATOM 339 CB LEU A 26 -11.704 -14.178 -11.498 1.00 0.00 C ATOM 340 CG LEU A 26 -12.553 -13.041 -12.066 1.00 0.00 C ATOM 341 CD1 LEU A 26 -12.157 -12.747 -13.505 1.00 0.00 C ATOM 342 CD2 LEU A 26 -14.033 -13.385 -11.978 1.00 0.00 C ATOM 0 H LEU A 26 -9.230 -13.502 -12.711 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.467 -13.184 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.558 -14.922 -12.281 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.267 -14.662 -10.700 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.372 -12.146 -11.471 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.772 -11.935 -13.893 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.107 -12.456 -13.541 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.308 -13.639 -14.113 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.622 -12.564 -12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.230 -14.293 -12.549 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.308 -13.545 -10.935 1.00 0.00 H new ATOM 354 N GLU A 27 -9.251 -15.858 -11.583 1.00 0.00 N ATOM 355 CA GLU A 27 -8.496 -17.087 -11.366 1.00 0.00 C ATOM 356 C GLU A 27 -7.059 -16.936 -11.858 1.00 0.00 C ATOM 357 O GLU A 27 -6.811 -16.366 -12.919 1.00 0.00 O ATOM 358 CB GLU A 27 -9.170 -18.260 -12.080 1.00 0.00 C ATOM 359 CG GLU A 27 -9.641 -17.927 -13.486 1.00 0.00 C ATOM 360 CD GLU A 27 -10.362 -19.084 -14.149 1.00 0.00 C ATOM 361 OE1 GLU A 27 -9.797 -20.197 -14.179 1.00 0.00 O ATOM 362 OE2 GLU A 27 -11.492 -18.877 -14.638 1.00 0.00 O ATOM 0 H GLU A 27 -9.529 -15.699 -12.551 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.477 -17.287 -10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.471 -19.095 -12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.024 -18.592 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.305 -17.064 -13.448 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.783 -17.642 -14.095 1.00 0.00 H new ATOM 369 N ASN A 28 -6.115 -17.452 -11.076 1.00 0.00 N ATOM 370 CA ASN A 28 -4.703 -17.374 -11.431 1.00 0.00 C ATOM 371 C ASN A 28 -4.252 -15.922 -11.556 1.00 0.00 C ATOM 372 O ASN A 28 -3.676 -15.525 -12.569 1.00 0.00 O ATOM 373 CB ASN A 28 -4.443 -18.116 -12.744 1.00 0.00 C ATOM 374 CG ASN A 28 -4.872 -19.569 -12.681 1.00 0.00 C ATOM 375 OD1 ASN A 28 -5.058 -20.127 -11.600 1.00 0.00 O ATOM 376 ND2 ASN A 28 -5.029 -20.190 -13.845 1.00 0.00 N ATOM 0 H ASN A 28 -6.303 -17.928 -10.194 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.128 -17.847 -10.635 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.977 -17.617 -13.552 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.381 -18.064 -12.984 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.315 -21.169 -13.866 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.864 -19.688 -14.717 1.00 0.00 H new ATOM 383 N TYR A 29 -4.519 -15.134 -10.521 1.00 0.00 N ATOM 384 CA TYR A 29 -4.143 -13.725 -10.515 1.00 0.00 C ATOM 385 C TYR A 29 -3.154 -13.430 -9.392 1.00 0.00 C ATOM 386 O TYR A 29 -3.114 -14.134 -8.382 1.00 0.00 O ATOM 387 CB TYR A 29 -5.385 -12.845 -10.361 1.00 0.00 C ATOM 388 CG TYR A 29 -5.896 -12.762 -8.941 1.00 0.00 C ATOM 389 CD1 TYR A 29 -6.772 -13.718 -8.440 1.00 0.00 C ATOM 390 CD2 TYR A 29 -5.504 -11.728 -8.099 1.00 0.00 C ATOM 391 CE1 TYR A 29 -7.242 -13.646 -7.143 1.00 0.00 C ATOM 392 CE2 TYR A 29 -5.968 -11.649 -6.801 1.00 0.00 C ATOM 393 CZ TYR A 29 -6.837 -12.610 -6.327 1.00 0.00 C ATOM 394 OH TYR A 29 -7.302 -12.534 -5.034 1.00 0.00 O ATOM 0 H TYR A 29 -4.995 -15.447 -9.675 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.662 -13.499 -11.467 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.154 -11.840 -10.714 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.177 -13.234 -11.001 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.091 -14.531 -9.076 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.825 -10.973 -8.466 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.923 -14.397 -6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.652 -10.839 -6.160 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.920 -11.746 -4.595 1.00 0.00 H new ATOM 404 N LEU A 30 -2.357 -12.383 -9.575 1.00 0.00 N ATOM 405 CA LEU A 30 -1.367 -11.992 -8.578 1.00 0.00 C ATOM 406 C LEU A 30 -1.811 -10.737 -7.832 1.00 0.00 C ATOM 407 O LEU A 30 -2.773 -10.077 -8.226 1.00 0.00 O ATOM 408 CB LEU A 30 -0.011 -11.749 -9.244 1.00 0.00 C ATOM 409 CG LEU A 30 0.362 -12.708 -10.375 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.261 -12.256 -11.686 1.00 0.00 C ATOM 411 CD2 LEU A 30 1.874 -12.813 -10.508 1.00 0.00 C ATOM 0 H LEU A 30 -2.377 -11.790 -10.404 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.272 -12.806 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.001 -10.733 -9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.763 -11.804 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.031 -13.696 -10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.016 -12.951 -12.479 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.346 -12.234 -11.585 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.100 -11.258 -11.936 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.121 -13.500 -11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.289 -11.829 -10.727 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.296 -13.185 -9.575 1.00 0.00 H new ATOM 423 N SER A 31 -1.104 -10.414 -6.755 1.00 0.00 N ATOM 424 CA SER A 31 -1.426 -9.239 -5.953 1.00 0.00 C ATOM 425 C SER A 31 -0.164 -8.455 -5.606 1.00 0.00 C ATOM 426 O SER A 31 0.551 -8.794 -4.664 1.00 0.00 O ATOM 427 CB SER A 31 -2.151 -9.654 -4.671 1.00 0.00 C ATOM 428 OG SER A 31 -3.554 -9.682 -4.865 1.00 0.00 O ATOM 0 H SER A 31 -0.304 -10.949 -6.417 1.00 0.00 H new ATOM 0 HA SER A 31 -2.081 -8.597 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.805 -10.638 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.905 -8.958 -3.869 1.00 0.00 H new ATOM 0 HG SER A 31 -3.994 -9.952 -4.032 1.00 0.00 H new ATOM 434 N ALA A 32 0.102 -7.404 -6.375 1.00 0.00 N ATOM 435 CA ALA A 32 1.275 -6.570 -6.149 1.00 0.00 C ATOM 436 C ALA A 32 0.903 -5.091 -6.135 1.00 0.00 C ATOM 437 O ALA A 32 -0.122 -4.694 -6.687 1.00 0.00 O ATOM 438 CB ALA A 32 2.328 -6.841 -7.213 1.00 0.00 C ATOM 0 H ALA A 32 -0.479 -7.110 -7.160 1.00 0.00 H new ATOM 0 HA ALA A 32 1.687 -6.823 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.199 -6.211 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.624 -7.889 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.917 -6.617 -8.197 1.00 0.00 H new ATOM 444 N MET A 33 1.743 -4.280 -5.499 1.00 0.00 N ATOM 445 CA MET A 33 1.501 -2.845 -5.414 1.00 0.00 C ATOM 446 C MET A 33 0.058 -2.559 -5.010 1.00 0.00 C ATOM 447 O MET A 33 -0.611 -1.720 -5.613 1.00 0.00 O ATOM 448 CB MET A 33 1.810 -2.174 -6.754 1.00 0.00 C ATOM 449 CG MET A 33 3.233 -2.407 -7.236 1.00 0.00 C ATOM 450 SD MET A 33 3.596 -1.538 -8.774 1.00 0.00 S ATOM 451 CE MET A 33 4.815 -2.631 -9.500 1.00 0.00 C ATOM 0 H MET A 33 2.596 -4.592 -5.036 1.00 0.00 H new ATOM 0 HA MET A 33 2.161 -2.436 -4.649 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.115 -2.546 -7.506 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.637 -1.102 -6.663 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.932 -2.081 -6.465 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.393 -3.475 -7.380 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.726 -2.071 -9.711 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.039 -3.440 -8.804 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.423 -3.048 -10.428 1.00 0.00 H new ATOM 461 N ASP A 34 -0.416 -3.263 -3.988 1.00 0.00 N ATOM 462 CA ASP A 34 -1.779 -3.084 -3.503 1.00 0.00 C ATOM 463 C ASP A 34 -2.785 -3.245 -4.639 1.00 0.00 C ATOM 464 O ASP A 34 -3.879 -2.681 -4.599 1.00 0.00 O ATOM 465 CB ASP A 34 -1.937 -1.708 -2.857 1.00 0.00 C ATOM 466 CG ASP A 34 -0.794 -1.374 -1.919 1.00 0.00 C ATOM 467 OD1 ASP A 34 -0.274 -2.301 -1.263 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.417 -0.185 -1.843 1.00 0.00 O ATOM 0 H ASP A 34 0.124 -3.963 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.976 -3.852 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.997 -0.949 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.877 -1.674 -2.306 1.00 0.00 H new ATOM 473 N THR A 35 -2.407 -4.017 -5.653 1.00 0.00 N ATOM 474 CA THR A 35 -3.274 -4.250 -6.801 1.00 0.00 C ATOM 475 C THR A 35 -3.109 -5.668 -7.335 1.00 0.00 C ATOM 476 O THR A 35 -2.322 -6.454 -6.808 1.00 0.00 O ATOM 477 CB THR A 35 -2.984 -3.250 -7.936 1.00 0.00 C ATOM 478 OG1 THR A 35 -4.071 -3.239 -8.868 1.00 0.00 O ATOM 479 CG2 THR A 35 -1.694 -3.608 -8.658 1.00 0.00 C ATOM 0 H THR A 35 -1.506 -4.492 -5.702 1.00 0.00 H new ATOM 0 HA THR A 35 -4.299 -4.111 -6.457 1.00 0.00 H new ATOM 0 HB THR A 35 -2.872 -2.259 -7.497 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.880 -2.600 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.511 -2.887 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.864 -3.587 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.781 -4.607 -9.085 1.00 0.00 H new ATOM 487 N VAL A 36 -3.857 -5.991 -8.386 1.00 0.00 N ATOM 488 CA VAL A 36 -3.793 -7.315 -8.993 1.00 0.00 C ATOM 489 C VAL A 36 -3.086 -7.266 -10.343 1.00 0.00 C ATOM 490 O VAL A 36 -2.998 -6.211 -10.972 1.00 0.00 O ATOM 491 CB VAL A 36 -5.199 -7.914 -9.184 1.00 0.00 C ATOM 492 CG1 VAL A 36 -5.940 -7.969 -7.856 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.985 -7.112 -10.210 1.00 0.00 C ATOM 0 H VAL A 36 -4.515 -5.353 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.226 -7.949 -8.311 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.094 -8.933 -9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.931 -8.395 -8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.383 -8.590 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.037 -6.962 -7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.976 -7.549 -10.332 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.083 -6.081 -9.869 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.460 -7.130 -11.165 1.00 0.00 H new ATOM 503 N TRP A 37 -2.584 -8.414 -10.783 1.00 0.00 N ATOM 504 CA TRP A 37 -1.885 -8.503 -12.060 1.00 0.00 C ATOM 505 C TRP A 37 -2.132 -9.854 -12.723 1.00 0.00 C ATOM 506 O TRP A 37 -2.828 -10.708 -12.173 1.00 0.00 O ATOM 507 CB TRP A 37 -0.384 -8.286 -11.859 1.00 0.00 C ATOM 508 CG TRP A 37 -0.048 -6.934 -11.307 1.00 0.00 C ATOM 509 CD1 TRP A 37 -0.075 -6.555 -9.996 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.364 -5.783 -12.052 1.00 0.00 C ATOM 511 NE1 TRP A 37 0.295 -5.236 -9.880 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.570 -4.741 -11.127 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.581 -5.531 -13.409 1.00 0.00 C ATOM 514 CZ2 TRP A 37 0.981 -3.469 -11.519 1.00 0.00 C ATOM 515 CZ3 TRP A 37 0.988 -4.269 -13.796 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.185 -3.251 -12.854 1.00 0.00 C ATOM 0 H TRP A 37 -2.648 -9.296 -10.275 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.274 -7.722 -12.714 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.001 -9.051 -11.184 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.126 -8.418 -12.813 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.347 -7.197 -9.171 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.355 -4.711 -9.007 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.433 -6.310 -14.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.133 -2.683 -10.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.157 -4.064 -14.843 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.504 -2.275 -13.188 1.00 0.00 H new ATOM 527 N HIS A 38 -1.557 -10.041 -13.907 1.00 0.00 N ATOM 528 CA HIS A 38 -1.715 -11.290 -14.645 1.00 0.00 C ATOM 529 C HIS A 38 -0.433 -12.115 -14.595 1.00 0.00 C ATOM 530 O HIS A 38 0.677 -11.587 -14.655 1.00 0.00 O ATOM 531 CB HIS A 38 -2.096 -11.004 -16.098 1.00 0.00 C ATOM 532 CG HIS A 38 -3.574 -10.952 -16.330 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.172 -10.039 -17.173 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.577 -11.708 -15.825 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.479 -10.235 -17.176 1.00 0.00 C ATOM 536 NE2 HIS A 38 -5.750 -11.242 -16.366 1.00 0.00 N ATOM 0 H HIS A 38 -0.978 -9.344 -14.376 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.514 -11.863 -14.175 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.655 -10.054 -16.400 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.663 -11.774 -16.737 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.474 -12.525 -15.127 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.202 -9.668 -17.744 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.680 -11.614 -16.173 1.00 0.00 H new ATOM 544 N PRO A 39 -0.587 -13.443 -14.483 1.00 0.00 N ATOM 545 CA PRO A 39 0.547 -14.370 -14.423 1.00 0.00 C ATOM 546 C PRO A 39 1.285 -14.469 -15.754 1.00 0.00 C ATOM 547 O PRO A 39 2.153 -15.324 -15.929 1.00 0.00 O ATOM 548 CB PRO A 39 -0.107 -15.709 -14.073 1.00 0.00 C ATOM 549 CG PRO A 39 -1.506 -15.589 -14.571 1.00 0.00 C ATOM 550 CD PRO A 39 -1.881 -14.142 -14.407 1.00 0.00 C ATOM 0 HA PRO A 39 1.300 -14.047 -13.704 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.413 -16.540 -14.550 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.084 -15.892 -12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.576 -15.894 -15.615 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.179 -16.233 -14.005 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.562 -13.812 -15.191 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.380 -13.962 -13.455 1.00 0.00 H new ATOM 558 N GLU A 40 0.935 -13.590 -16.687 1.00 0.00 N ATOM 559 CA GLU A 40 1.565 -13.580 -18.002 1.00 0.00 C ATOM 560 C GLU A 40 2.104 -12.193 -18.337 1.00 0.00 C ATOM 561 O GLU A 40 3.092 -12.055 -19.060 1.00 0.00 O ATOM 562 CB GLU A 40 0.567 -14.024 -19.074 1.00 0.00 C ATOM 563 CG GLU A 40 -0.530 -13.008 -19.342 1.00 0.00 C ATOM 564 CD GLU A 40 -1.187 -13.202 -20.695 1.00 0.00 C ATOM 565 OE1 GLU A 40 -1.476 -14.364 -21.052 1.00 0.00 O ATOM 566 OE2 GLU A 40 -1.412 -12.194 -21.396 1.00 0.00 O ATOM 0 H GLU A 40 0.219 -12.876 -16.557 1.00 0.00 H new ATOM 0 HA GLU A 40 2.400 -14.280 -17.981 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.105 -14.218 -20.002 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.112 -14.965 -18.767 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.287 -13.081 -18.561 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.111 -12.003 -19.286 1.00 0.00 H new ATOM 573 N CYS A 41 1.449 -11.166 -17.807 1.00 0.00 N ATOM 574 CA CYS A 41 1.859 -9.788 -18.049 1.00 0.00 C ATOM 575 C CYS A 41 2.892 -9.340 -17.019 1.00 0.00 C ATOM 576 O CYS A 41 3.939 -8.794 -17.371 1.00 0.00 O ATOM 577 CB CYS A 41 0.646 -8.857 -18.008 1.00 0.00 C ATOM 578 SG CYS A 41 -0.847 -9.547 -18.792 1.00 0.00 S ATOM 0 H CYS A 41 0.631 -11.262 -17.206 1.00 0.00 H new ATOM 0 HA CYS A 41 2.312 -9.739 -19.039 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.420 -8.617 -16.969 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.903 -7.920 -18.502 1.00 0.00 H new ATOM 583 N PHE A 42 2.592 -9.574 -15.746 1.00 0.00 N ATOM 584 CA PHE A 42 3.493 -9.194 -14.665 1.00 0.00 C ATOM 585 C PHE A 42 4.939 -9.532 -15.018 1.00 0.00 C ATOM 586 O PHE A 42 5.394 -10.657 -14.809 1.00 0.00 O ATOM 587 CB PHE A 42 3.094 -9.901 -13.368 1.00 0.00 C ATOM 588 CG PHE A 42 3.588 -9.207 -12.131 1.00 0.00 C ATOM 589 CD1 PHE A 42 3.337 -7.859 -11.930 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.302 -9.903 -11.168 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.791 -7.218 -10.793 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.758 -9.267 -10.029 1.00 0.00 C ATOM 593 CZ PHE A 42 4.501 -7.923 -9.840 1.00 0.00 C ATOM 0 H PHE A 42 1.731 -10.025 -15.438 1.00 0.00 H new ATOM 0 HA PHE A 42 3.415 -8.116 -14.522 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.007 -9.976 -13.324 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.483 -10.919 -13.384 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.780 -7.303 -12.670 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.504 -10.954 -11.309 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.591 -6.166 -10.649 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.315 -9.820 -9.287 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.854 -7.424 -8.949 1.00 0.00 H new ATOM 603 N VAL A 43 5.655 -8.550 -15.555 1.00 0.00 N ATOM 604 CA VAL A 43 7.049 -8.741 -15.937 1.00 0.00 C ATOM 605 C VAL A 43 7.810 -7.420 -15.919 1.00 0.00 C ATOM 606 O VAL A 43 7.232 -6.361 -15.673 1.00 0.00 O ATOM 607 CB VAL A 43 7.166 -9.370 -17.338 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.419 -10.694 -17.394 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.645 -8.410 -18.397 1.00 0.00 C ATOM 0 H VAL A 43 5.293 -7.614 -15.736 1.00 0.00 H new ATOM 0 HA VAL A 43 7.488 -9.419 -15.205 1.00 0.00 H new ATOM 0 HB VAL A 43 8.219 -9.566 -17.543 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.513 -11.123 -18.392 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.842 -11.382 -16.662 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.366 -10.527 -17.169 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.735 -8.870 -19.381 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.598 -8.182 -18.198 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.228 -7.490 -18.372 1.00 0.00 H new ATOM 619 N CYS A 44 9.111 -7.490 -16.183 1.00 0.00 N ATOM 620 CA CYS A 44 9.953 -6.300 -16.197 1.00 0.00 C ATOM 621 C CYS A 44 9.529 -5.347 -17.312 1.00 0.00 C ATOM 622 O CYS A 44 8.782 -5.723 -18.214 1.00 0.00 O ATOM 623 CB CYS A 44 11.421 -6.691 -16.377 1.00 0.00 C ATOM 624 SG CYS A 44 12.592 -5.317 -16.131 1.00 0.00 S ATOM 0 H CYS A 44 9.605 -8.358 -16.390 1.00 0.00 H new ATOM 0 HA CYS A 44 9.834 -5.790 -15.241 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.662 -7.490 -15.675 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.558 -7.096 -17.380 1.00 0.00 H new ATOM 629 N GLY A 45 10.012 -4.110 -17.241 1.00 0.00 N ATOM 630 CA GLY A 45 9.673 -3.123 -18.249 1.00 0.00 C ATOM 631 C GLY A 45 10.755 -2.972 -19.300 1.00 0.00 C ATOM 632 O GLY A 45 10.485 -2.539 -20.421 1.00 0.00 O ATOM 0 H GLY A 45 10.632 -3.774 -16.504 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.739 -3.408 -18.732 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.502 -2.160 -17.767 1.00 0.00 H new ATOM 636 N ASP A 46 11.983 -3.328 -18.938 1.00 0.00 N ATOM 637 CA ASP A 46 13.110 -3.229 -19.858 1.00 0.00 C ATOM 638 C ASP A 46 13.399 -4.578 -20.510 1.00 0.00 C ATOM 639 O ASP A 46 13.317 -4.720 -21.731 1.00 0.00 O ATOM 640 CB ASP A 46 14.353 -2.727 -19.123 1.00 0.00 C ATOM 641 CG ASP A 46 14.212 -1.290 -18.662 1.00 0.00 C ATOM 642 OD1 ASP A 46 13.107 -0.914 -18.219 1.00 0.00 O ATOM 643 OD2 ASP A 46 15.208 -0.541 -18.743 1.00 0.00 O ATOM 0 H ASP A 46 12.223 -3.688 -18.014 1.00 0.00 H new ATOM 0 HA ASP A 46 12.848 -2.516 -20.640 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.544 -3.365 -18.260 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.219 -2.812 -19.780 1.00 0.00 H new ATOM 648 N CYS A 47 13.738 -5.566 -19.689 1.00 0.00 N ATOM 649 CA CYS A 47 14.042 -6.903 -20.184 1.00 0.00 C ATOM 650 C CYS A 47 12.764 -7.718 -20.366 1.00 0.00 C ATOM 651 O CYS A 47 12.753 -8.724 -21.075 1.00 0.00 O ATOM 652 CB CYS A 47 14.987 -7.624 -19.222 1.00 0.00 C ATOM 653 SG CYS A 47 14.253 -7.996 -17.597 1.00 0.00 S ATOM 0 H CYS A 47 13.809 -5.466 -18.676 1.00 0.00 H new ATOM 0 HA CYS A 47 14.530 -6.802 -21.153 1.00 0.00 H new ATOM 0 HB2 CYS A 47 15.315 -8.556 -19.682 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.876 -7.011 -19.075 1.00 0.00 H new ATOM 658 N PHE A 48 11.690 -7.276 -19.720 1.00 0.00 N ATOM 659 CA PHE A 48 10.408 -7.965 -19.809 1.00 0.00 C ATOM 660 C PHE A 48 10.547 -9.429 -19.404 1.00 0.00 C ATOM 661 O PHE A 48 10.023 -10.323 -20.071 1.00 0.00 O ATOM 662 CB PHE A 48 9.850 -7.867 -21.231 1.00 0.00 C ATOM 663 CG PHE A 48 9.012 -6.643 -21.464 1.00 0.00 C ATOM 664 CD1 PHE A 48 9.599 -5.447 -21.845 1.00 0.00 C ATOM 665 CD2 PHE A 48 7.637 -6.688 -21.301 1.00 0.00 C ATOM 666 CE1 PHE A 48 8.831 -4.319 -22.060 1.00 0.00 C ATOM 667 CE2 PHE A 48 6.863 -5.563 -21.515 1.00 0.00 C ATOM 668 CZ PHE A 48 7.461 -4.377 -21.894 1.00 0.00 C ATOM 0 H PHE A 48 11.682 -6.444 -19.130 1.00 0.00 H new ATOM 0 HA PHE A 48 9.715 -7.481 -19.120 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.679 -7.870 -21.939 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.250 -8.753 -21.439 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.670 -5.396 -21.975 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.165 -7.612 -21.003 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.301 -3.393 -22.357 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.792 -5.611 -21.386 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.858 -3.496 -22.060 1.00 0.00 H new ATOM 678 N THR A 49 11.259 -9.669 -18.307 1.00 0.00 N ATOM 679 CA THR A 49 11.470 -11.024 -17.814 1.00 0.00 C ATOM 680 C THR A 49 10.439 -11.389 -16.752 1.00 0.00 C ATOM 681 O THR A 49 9.989 -10.533 -15.989 1.00 0.00 O ATOM 682 CB THR A 49 12.882 -11.193 -17.222 1.00 0.00 C ATOM 683 OG1 THR A 49 13.188 -12.584 -17.075 1.00 0.00 O ATOM 684 CG2 THR A 49 12.989 -10.500 -15.872 1.00 0.00 C ATOM 0 H THR A 49 11.699 -8.942 -17.743 1.00 0.00 H new ATOM 0 HA THR A 49 11.360 -11.692 -18.668 1.00 0.00 H new ATOM 0 HB THR A 49 13.596 -10.734 -17.906 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.088 -12.683 -16.700 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.995 -10.633 -15.473 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.784 -9.436 -15.992 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.265 -10.934 -15.182 1.00 0.00 H new ATOM 692 N SER A 50 10.068 -12.665 -16.707 1.00 0.00 N ATOM 693 CA SER A 50 9.087 -13.142 -15.739 1.00 0.00 C ATOM 694 C SER A 50 9.648 -13.081 -14.322 1.00 0.00 C ATOM 695 O SER A 50 10.863 -13.080 -14.122 1.00 0.00 O ATOM 696 CB SER A 50 8.667 -14.575 -16.073 1.00 0.00 C ATOM 697 OG SER A 50 7.944 -15.156 -15.002 1.00 0.00 O ATOM 0 H SER A 50 10.432 -13.387 -17.329 1.00 0.00 H new ATOM 0 HA SER A 50 8.213 -12.492 -15.793 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.053 -14.577 -16.974 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.551 -15.176 -16.288 1.00 0.00 H new ATOM 0 HG SER A 50 7.685 -16.071 -15.240 1.00 0.00 H new ATOM 703 N PHE A 51 8.754 -13.030 -13.340 1.00 0.00 N ATOM 704 CA PHE A 51 9.158 -12.968 -11.940 1.00 0.00 C ATOM 705 C PHE A 51 8.723 -14.225 -11.192 1.00 0.00 C ATOM 706 O PHE A 51 8.238 -14.152 -10.063 1.00 0.00 O ATOM 707 CB PHE A 51 8.560 -11.729 -11.270 1.00 0.00 C ATOM 708 CG PHE A 51 8.913 -10.444 -11.962 1.00 0.00 C ATOM 709 CD1 PHE A 51 10.234 -10.042 -12.073 1.00 0.00 C ATOM 710 CD2 PHE A 51 7.923 -9.637 -12.500 1.00 0.00 C ATOM 711 CE1 PHE A 51 10.563 -8.860 -12.710 1.00 0.00 C ATOM 712 CE2 PHE A 51 8.246 -8.454 -13.138 1.00 0.00 C ATOM 713 CZ PHE A 51 9.567 -8.064 -13.242 1.00 0.00 C ATOM 0 H PHE A 51 7.745 -13.030 -13.488 1.00 0.00 H new ATOM 0 HA PHE A 51 10.245 -12.903 -11.904 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.475 -11.830 -11.240 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.904 -11.683 -10.237 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.016 -10.659 -11.657 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.888 -9.936 -12.420 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.597 -8.559 -12.792 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.466 -7.835 -13.555 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.821 -7.139 -13.738 1.00 0.00 H new ATOM 723 N SER A 52 8.900 -15.377 -11.831 1.00 0.00 N ATOM 724 CA SER A 52 8.522 -16.651 -11.229 1.00 0.00 C ATOM 725 C SER A 52 9.700 -17.268 -10.481 1.00 0.00 C ATOM 726 O SER A 52 10.851 -16.878 -10.679 1.00 0.00 O ATOM 727 CB SER A 52 8.022 -17.618 -12.303 1.00 0.00 C ATOM 728 OG SER A 52 9.072 -18.002 -13.174 1.00 0.00 O ATOM 0 H SER A 52 9.303 -15.455 -12.765 1.00 0.00 H new ATOM 0 HA SER A 52 7.719 -16.465 -10.516 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.596 -18.503 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.223 -17.148 -12.877 1.00 0.00 H new ATOM 0 HG SER A 52 8.726 -18.622 -13.850 1.00 0.00 H new ATOM 734 N THR A 53 9.404 -18.236 -9.619 1.00 0.00 N ATOM 735 CA THR A 53 10.436 -18.908 -8.840 1.00 0.00 C ATOM 736 C THR A 53 11.455 -17.911 -8.302 1.00 0.00 C ATOM 737 O THR A 53 12.644 -18.213 -8.209 1.00 0.00 O ATOM 738 CB THR A 53 11.169 -19.973 -9.678 1.00 0.00 C ATOM 739 OG1 THR A 53 12.023 -20.756 -8.837 1.00 0.00 O ATOM 740 CG2 THR A 53 11.991 -19.323 -10.780 1.00 0.00 C ATOM 0 H THR A 53 8.457 -18.572 -9.443 1.00 0.00 H new ATOM 0 HA THR A 53 9.934 -19.396 -8.005 1.00 0.00 H new ATOM 0 HB THR A 53 10.421 -20.619 -10.138 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.587 -20.162 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.499 -20.095 -11.358 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.334 -18.752 -11.436 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.730 -18.656 -10.337 1.00 0.00 H new ATOM 748 N GLY A 54 10.982 -16.720 -7.949 1.00 0.00 N ATOM 749 CA GLY A 54 11.867 -15.696 -7.424 1.00 0.00 C ATOM 750 C GLY A 54 11.110 -14.542 -6.797 1.00 0.00 C ATOM 751 O GLY A 54 10.242 -14.748 -5.949 1.00 0.00 O ATOM 0 H GLY A 54 10.002 -16.446 -8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.529 -16.139 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.498 -15.318 -8.228 1.00 0.00 H new ATOM 755 N SER A 55 11.441 -13.324 -7.213 1.00 0.00 N ATOM 756 CA SER A 55 10.790 -12.132 -6.682 1.00 0.00 C ATOM 757 C SER A 55 10.829 -10.993 -7.697 1.00 0.00 C ATOM 758 O SER A 55 11.476 -11.098 -8.740 1.00 0.00 O ATOM 759 CB SER A 55 11.464 -11.693 -5.381 1.00 0.00 C ATOM 760 OG SER A 55 10.734 -10.654 -4.753 1.00 0.00 O ATOM 0 H SER A 55 12.156 -13.137 -7.916 1.00 0.00 H new ATOM 0 HA SER A 55 9.748 -12.379 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.545 -12.544 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.479 -11.354 -5.590 1.00 0.00 H new ATOM 0 HG SER A 55 11.185 -10.393 -3.923 1.00 0.00 H new ATOM 766 N PHE A 56 10.133 -9.906 -7.385 1.00 0.00 N ATOM 767 CA PHE A 56 10.087 -8.747 -8.269 1.00 0.00 C ATOM 768 C PHE A 56 10.327 -7.458 -7.489 1.00 0.00 C ATOM 769 O PHE A 56 9.983 -7.358 -6.311 1.00 0.00 O ATOM 770 CB PHE A 56 8.737 -8.679 -8.985 1.00 0.00 C ATOM 771 CG PHE A 56 7.701 -7.888 -8.238 1.00 0.00 C ATOM 772 CD1 PHE A 56 6.883 -8.502 -7.303 1.00 0.00 C ATOM 773 CD2 PHE A 56 7.545 -6.531 -8.471 1.00 0.00 C ATOM 774 CE1 PHE A 56 5.929 -7.777 -6.614 1.00 0.00 C ATOM 775 CE2 PHE A 56 6.594 -5.801 -7.784 1.00 0.00 C ATOM 776 CZ PHE A 56 5.784 -6.425 -6.855 1.00 0.00 C ATOM 0 H PHE A 56 9.592 -9.803 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 56 10.879 -8.855 -9.010 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.880 -8.236 -9.971 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.366 -9.692 -9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.992 -9.559 -7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.174 -6.038 -9.198 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.298 -8.267 -5.888 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.484 -4.743 -7.973 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.039 -5.857 -6.318 1.00 0.00 H new ATOM 786 N PHE A 57 10.922 -6.473 -8.154 1.00 0.00 N ATOM 787 CA PHE A 57 11.210 -5.190 -7.524 1.00 0.00 C ATOM 788 C PHE A 57 10.345 -4.084 -8.121 1.00 0.00 C ATOM 789 O PHE A 57 10.284 -3.919 -9.339 1.00 0.00 O ATOM 790 CB PHE A 57 12.691 -4.839 -7.687 1.00 0.00 C ATOM 791 CG PHE A 57 13.607 -5.717 -6.885 1.00 0.00 C ATOM 792 CD1 PHE A 57 13.922 -6.994 -7.322 1.00 0.00 C ATOM 793 CD2 PHE A 57 14.154 -5.267 -5.694 1.00 0.00 C ATOM 794 CE1 PHE A 57 14.765 -7.805 -6.585 1.00 0.00 C ATOM 795 CE2 PHE A 57 14.997 -6.073 -4.953 1.00 0.00 C ATOM 796 CZ PHE A 57 15.304 -7.343 -5.400 1.00 0.00 C ATOM 0 H PHE A 57 11.214 -6.539 -9.129 1.00 0.00 H new ATOM 0 HA PHE A 57 10.978 -5.275 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.960 -4.914 -8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.845 -3.801 -7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.504 -7.360 -8.248 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.919 -4.274 -5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.002 -8.799 -6.935 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.415 -5.710 -4.026 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.965 -7.974 -4.824 1.00 0.00 H new ATOM 806 N GLU A 58 9.676 -3.330 -7.253 1.00 0.00 N ATOM 807 CA GLU A 58 8.813 -2.241 -7.695 1.00 0.00 C ATOM 808 C GLU A 58 9.554 -0.908 -7.651 1.00 0.00 C ATOM 809 O GLU A 58 10.138 -0.542 -6.630 1.00 0.00 O ATOM 810 CB GLU A 58 7.559 -2.169 -6.822 1.00 0.00 C ATOM 811 CG GLU A 58 6.690 -0.954 -7.103 1.00 0.00 C ATOM 812 CD GLU A 58 7.162 0.284 -6.365 1.00 0.00 C ATOM 813 OE1 GLU A 58 6.787 0.449 -5.185 1.00 0.00 O ATOM 814 OE2 GLU A 58 7.905 1.087 -6.967 1.00 0.00 O ATOM 0 H GLU A 58 9.715 -3.454 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 58 8.519 -2.440 -8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.967 -3.072 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.857 -2.158 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.687 -0.754 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.662 -1.173 -6.816 1.00 0.00 H new ATOM 821 N LEU A 59 9.527 -0.186 -8.766 1.00 0.00 N ATOM 822 CA LEU A 59 10.196 1.108 -8.857 1.00 0.00 C ATOM 823 C LEU A 59 9.279 2.152 -9.487 1.00 0.00 C ATOM 824 O LEU A 59 9.061 2.150 -10.699 1.00 0.00 O ATOM 825 CB LEU A 59 11.483 0.982 -9.674 1.00 0.00 C ATOM 826 CG LEU A 59 12.465 2.148 -9.562 1.00 0.00 C ATOM 827 CD1 LEU A 59 13.422 1.930 -8.400 1.00 0.00 C ATOM 828 CD2 LEU A 59 13.234 2.324 -10.863 1.00 0.00 C ATOM 0 H LEU A 59 9.049 -0.474 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 59 10.445 1.433 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.996 0.070 -9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.213 0.860 -10.723 1.00 0.00 H new ATOM 0 HG LEU A 59 11.898 3.059 -9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.114 2.770 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.856 1.854 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.983 1.009 -8.559 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.928 3.158 -10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.790 1.413 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.535 2.527 -11.674 1.00 0.00 H new ATOM 840 N ASP A 60 8.748 3.043 -8.657 1.00 0.00 N ATOM 841 CA ASP A 60 7.858 4.095 -9.134 1.00 0.00 C ATOM 842 C ASP A 60 6.560 3.505 -9.678 1.00 0.00 C ATOM 843 O ASP A 60 6.028 3.972 -10.683 1.00 0.00 O ATOM 844 CB ASP A 60 8.548 4.925 -10.217 1.00 0.00 C ATOM 845 CG ASP A 60 7.968 6.321 -10.334 1.00 0.00 C ATOM 846 OD1 ASP A 60 7.619 6.909 -9.289 1.00 0.00 O ATOM 847 OD2 ASP A 60 7.865 6.826 -11.471 1.00 0.00 O ATOM 0 H ASP A 60 8.918 3.058 -7.651 1.00 0.00 H new ATOM 0 HA ASP A 60 7.617 4.741 -8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.613 4.995 -9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.456 4.415 -11.176 1.00 0.00 H new ATOM 852 N GLY A 61 6.058 2.473 -9.005 1.00 0.00 N ATOM 853 CA GLY A 61 4.828 1.835 -9.437 1.00 0.00 C ATOM 854 C GLY A 61 4.987 1.101 -10.753 1.00 0.00 C ATOM 855 O GLY A 61 4.102 1.147 -11.608 1.00 0.00 O ATOM 0 H GLY A 61 6.481 2.068 -8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.498 1.134 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.047 2.589 -9.537 1.00 0.00 H new ATOM 859 N ARG A 62 6.118 0.422 -10.918 1.00 0.00 N ATOM 860 CA ARG A 62 6.391 -0.323 -12.141 1.00 0.00 C ATOM 861 C ARG A 62 7.173 -1.597 -11.838 1.00 0.00 C ATOM 862 O ARG A 62 8.203 -1.577 -11.163 1.00 0.00 O ATOM 863 CB ARG A 62 7.172 0.546 -13.129 1.00 0.00 C ATOM 864 CG ARG A 62 6.287 1.403 -14.019 1.00 0.00 C ATOM 865 CD ARG A 62 7.056 1.943 -15.215 1.00 0.00 C ATOM 866 NE ARG A 62 7.383 0.893 -16.175 1.00 0.00 N ATOM 867 CZ ARG A 62 7.752 1.132 -17.429 1.00 0.00 C ATOM 868 NH1 ARG A 62 7.842 2.379 -17.870 1.00 0.00 N ATOM 869 NH2 ARG A 62 8.033 0.123 -18.243 1.00 0.00 N ATOM 0 H ARG A 62 6.860 0.373 -10.220 1.00 0.00 H new ATOM 0 HA ARG A 62 5.437 -0.601 -12.588 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.849 1.194 -12.573 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.789 -0.097 -13.756 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.439 0.813 -14.367 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.882 2.233 -13.440 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.464 2.714 -15.709 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.975 2.418 -14.871 1.00 0.00 H new ATOM 0 HE ARG A 62 7.325 -0.077 -15.866 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.628 3.157 -17.246 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.125 2.560 -18.833 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.966 -0.838 -17.907 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.316 0.308 -19.205 1.00 0.00 H new ATOM 883 N PRO A 63 6.675 -2.733 -12.349 1.00 0.00 N ATOM 884 CA PRO A 63 7.311 -4.038 -12.146 1.00 0.00 C ATOM 885 C PRO A 63 8.631 -4.163 -12.900 1.00 0.00 C ATOM 886 O PRO A 63 8.656 -4.161 -14.131 1.00 0.00 O ATOM 887 CB PRO A 63 6.282 -5.025 -12.702 1.00 0.00 C ATOM 888 CG PRO A 63 5.499 -4.236 -13.695 1.00 0.00 C ATOM 889 CD PRO A 63 5.452 -2.831 -13.163 1.00 0.00 C ATOM 0 HA PRO A 63 7.564 -4.210 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.767 -5.881 -13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.641 -5.415 -11.912 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.971 -4.266 -14.677 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.495 -4.643 -13.812 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.445 -2.096 -13.968 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.557 -2.657 -12.566 1.00 0.00 H new ATOM 897 N PHE A 64 9.725 -4.271 -12.155 1.00 0.00 N ATOM 898 CA PHE A 64 11.049 -4.396 -12.753 1.00 0.00 C ATOM 899 C PHE A 64 11.813 -5.568 -12.144 1.00 0.00 C ATOM 900 O PHE A 64 11.457 -6.069 -11.076 1.00 0.00 O ATOM 901 CB PHE A 64 11.842 -3.102 -12.564 1.00 0.00 C ATOM 902 CG PHE A 64 11.347 -1.966 -13.413 1.00 0.00 C ATOM 903 CD1 PHE A 64 11.464 -2.012 -14.793 1.00 0.00 C ATOM 904 CD2 PHE A 64 10.764 -0.852 -12.831 1.00 0.00 C ATOM 905 CE1 PHE A 64 11.009 -0.969 -15.577 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.307 0.195 -13.609 1.00 0.00 C ATOM 907 CZ PHE A 64 10.430 0.137 -14.984 1.00 0.00 C ATOM 0 H PHE A 64 9.721 -4.275 -11.135 1.00 0.00 H new ATOM 0 HA PHE A 64 10.922 -4.583 -13.819 1.00 0.00 H new ATOM 0 HB2 PHE A 64 11.797 -2.808 -11.515 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.890 -3.290 -12.798 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.916 -2.874 -15.262 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.665 -0.801 -11.757 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.106 -1.018 -16.652 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.854 1.058 -13.143 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.074 0.954 -15.594 1.00 0.00 H new ATOM 917 N CYS A 65 12.866 -6.001 -12.829 1.00 0.00 N ATOM 918 CA CYS A 65 13.681 -7.114 -12.358 1.00 0.00 C ATOM 919 C CYS A 65 14.947 -6.609 -11.671 1.00 0.00 C ATOM 920 O CYS A 65 15.597 -5.682 -12.152 1.00 0.00 O ATOM 921 CB CYS A 65 14.052 -8.032 -13.524 1.00 0.00 C ATOM 922 SG CYS A 65 15.437 -7.422 -14.538 1.00 0.00 S ATOM 0 H CYS A 65 13.175 -5.597 -13.713 1.00 0.00 H new ATOM 0 HA CYS A 65 13.095 -7.678 -11.632 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.309 -9.016 -13.131 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.178 -8.162 -14.162 1.00 0.00 H new ATOM 927 N GLU A 66 15.288 -7.225 -10.544 1.00 0.00 N ATOM 928 CA GLU A 66 16.476 -6.837 -9.791 1.00 0.00 C ATOM 929 C GLU A 66 17.539 -6.252 -10.716 1.00 0.00 C ATOM 930 O GLU A 66 17.924 -5.090 -10.581 1.00 0.00 O ATOM 931 CB GLU A 66 17.046 -8.041 -9.039 1.00 0.00 C ATOM 932 CG GLU A 66 17.801 -7.667 -7.775 1.00 0.00 C ATOM 933 CD GLU A 66 18.216 -8.878 -6.963 1.00 0.00 C ATOM 934 OE1 GLU A 66 17.352 -9.740 -6.697 1.00 0.00 O ATOM 935 OE2 GLU A 66 19.406 -8.965 -6.593 1.00 0.00 O ATOM 0 H GLU A 66 14.760 -7.994 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 66 16.185 -6.072 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.230 -8.716 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.714 -8.590 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.688 -7.093 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.175 -7.020 -7.161 1.00 0.00 H new ATOM 942 N LEU A 67 18.009 -7.064 -11.656 1.00 0.00 N ATOM 943 CA LEU A 67 19.028 -6.629 -12.604 1.00 0.00 C ATOM 944 C LEU A 67 18.855 -5.153 -12.950 1.00 0.00 C ATOM 945 O LEU A 67 19.701 -4.323 -12.617 1.00 0.00 O ATOM 946 CB LEU A 67 18.963 -7.474 -13.878 1.00 0.00 C ATOM 947 CG LEU A 67 20.071 -7.230 -14.903 1.00 0.00 C ATOM 948 CD1 LEU A 67 21.368 -7.885 -14.453 1.00 0.00 C ATOM 949 CD2 LEU A 67 19.656 -7.749 -16.271 1.00 0.00 C ATOM 0 H LEU A 67 17.700 -8.028 -11.782 1.00 0.00 H new ATOM 0 HA LEU A 67 20.004 -6.762 -12.137 1.00 0.00 H new ATOM 0 HB2 LEU A 67 18.984 -8.526 -13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.003 -7.294 -14.361 1.00 0.00 H new ATOM 0 HG LEU A 67 20.238 -6.156 -14.980 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.145 -7.701 -15.195 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.674 -7.465 -13.495 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.215 -8.959 -14.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.457 -7.567 -16.988 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.460 -8.820 -16.210 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.753 -7.233 -16.597 1.00 0.00 H new ATOM 961 N HIS A 68 17.752 -4.833 -13.619 1.00 0.00 N ATOM 962 CA HIS A 68 17.466 -3.456 -14.008 1.00 0.00 C ATOM 963 C HIS A 68 17.114 -2.609 -12.788 1.00 0.00 C ATOM 964 O HIS A 68 17.724 -1.568 -12.545 1.00 0.00 O ATOM 965 CB HIS A 68 16.320 -3.417 -15.019 1.00 0.00 C ATOM 966 CG HIS A 68 16.766 -3.601 -16.437 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.370 -4.666 -17.218 1.00 0.00 N ATOM 968 CD2 HIS A 68 17.577 -2.847 -17.215 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.920 -4.560 -18.414 1.00 0.00 C ATOM 970 NE2 HIS A 68 17.657 -3.465 -18.439 1.00 0.00 N ATOM 0 H HIS A 68 17.042 -5.508 -13.903 1.00 0.00 H new ATOM 0 HA HIS A 68 18.362 -3.041 -14.470 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.600 -4.196 -14.769 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.801 -2.463 -14.931 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.070 -1.930 -16.927 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.789 -5.252 -19.233 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.198 -3.132 -19.237 1.00 0.00 H new ATOM 978 N TYR A 69 16.125 -3.063 -12.025 1.00 0.00 N ATOM 979 CA TYR A 69 15.689 -2.345 -10.833 1.00 0.00 C ATOM 980 C TYR A 69 16.863 -1.637 -10.164 1.00 0.00 C ATOM 981 O TYR A 69 16.849 -0.418 -9.988 1.00 0.00 O ATOM 982 CB TYR A 69 15.030 -3.309 -9.845 1.00 0.00 C ATOM 983 CG TYR A 69 14.801 -2.709 -8.476 1.00 0.00 C ATOM 984 CD1 TYR A 69 13.765 -1.809 -8.255 1.00 0.00 C ATOM 985 CD2 TYR A 69 15.619 -3.041 -7.404 1.00 0.00 C ATOM 986 CE1 TYR A 69 13.552 -1.258 -7.007 1.00 0.00 C ATOM 987 CE2 TYR A 69 15.412 -2.496 -6.152 1.00 0.00 C ATOM 988 CZ TYR A 69 14.378 -1.605 -5.958 1.00 0.00 C ATOM 989 OH TYR A 69 14.169 -1.059 -4.712 1.00 0.00 O ATOM 0 H TYR A 69 15.611 -3.924 -12.211 1.00 0.00 H new ATOM 0 HA TYR A 69 14.961 -1.593 -11.138 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.074 -3.637 -10.253 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.655 -4.196 -9.744 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.115 -1.536 -9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.431 -3.737 -7.552 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.743 -0.559 -6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.057 -2.766 -5.329 1.00 0.00 H new ATOM 0 HH TYR A 69 14.837 -1.408 -4.086 1.00 0.00 H new ATOM 999 N HIS A 70 17.879 -2.410 -9.793 1.00 0.00 N ATOM 1000 CA HIS A 70 19.063 -1.857 -9.145 1.00 0.00 C ATOM 1001 C HIS A 70 19.803 -0.908 -10.082 1.00 0.00 C ATOM 1002 O HIS A 70 20.104 0.230 -9.720 1.00 0.00 O ATOM 1003 CB HIS A 70 19.996 -2.982 -8.697 1.00 0.00 C ATOM 1004 CG HIS A 70 19.573 -3.640 -7.420 1.00 0.00 C ATOM 1005 ND1 HIS A 70 20.050 -3.260 -6.183 1.00 0.00 N ATOM 1006 CD2 HIS A 70 18.709 -4.657 -7.192 1.00 0.00 C ATOM 1007 CE1 HIS A 70 19.499 -4.016 -5.250 1.00 0.00 C ATOM 1008 NE2 HIS A 70 18.682 -4.872 -5.836 1.00 0.00 N ATOM 0 H HIS A 70 17.906 -3.420 -9.930 1.00 0.00 H new ATOM 0 HA HIS A 70 18.739 -1.294 -8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.048 -3.735 -9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.002 -2.581 -8.573 1.00 0.00 H new ATOM 0 HD2 HIS A 70 18.146 -5.198 -7.938 1.00 0.00 H new ATOM 0 HE1 HIS A 70 19.685 -3.946 -4.188 1.00 0.00 H new ATOM 0 HE2 HIS A 70 18.122 -5.578 -5.359 1.00 0.00 H new ATOM 1016 N HIS A 71 20.096 -1.384 -11.288 1.00 0.00 N ATOM 1017 CA HIS A 71 20.801 -0.578 -12.278 1.00 0.00 C ATOM 1018 C HIS A 71 20.221 0.832 -12.344 1.00 0.00 C ATOM 1019 O HIS A 71 20.959 1.813 -12.440 1.00 0.00 O ATOM 1020 CB HIS A 71 20.724 -1.239 -13.655 1.00 0.00 C ATOM 1021 CG HIS A 71 21.479 -0.501 -14.717 1.00 0.00 C ATOM 1022 ND1 HIS A 71 22.390 -1.110 -15.554 1.00 0.00 N ATOM 1023 CD2 HIS A 71 21.453 0.804 -15.077 1.00 0.00 C ATOM 1024 CE1 HIS A 71 22.893 -0.212 -16.382 1.00 0.00 C ATOM 1025 NE2 HIS A 71 22.340 0.958 -16.114 1.00 0.00 N ATOM 0 H HIS A 71 19.856 -2.324 -11.603 1.00 0.00 H new ATOM 0 HA HIS A 71 21.846 -0.508 -11.975 1.00 0.00 H new ATOM 0 HB2 HIS A 71 21.113 -2.255 -13.584 1.00 0.00 H new ATOM 0 HB3 HIS A 71 19.678 -1.318 -13.953 1.00 0.00 H new ATOM 0 HD2 HIS A 71 20.847 1.579 -14.632 1.00 0.00 H new ATOM 0 HE1 HIS A 71 23.631 -0.402 -17.148 1.00 0.00 H new ATOM 0 HE2 HIS A 71 22.540 1.833 -16.599 1.00 0.00 H new ATOM 1033 N ARG A 72 18.897 0.924 -12.293 1.00 0.00 N ATOM 1034 CA ARG A 72 18.218 2.213 -12.349 1.00 0.00 C ATOM 1035 C ARG A 72 18.561 3.061 -11.127 1.00 0.00 C ATOM 1036 O ARG A 72 18.892 4.241 -11.251 1.00 0.00 O ATOM 1037 CB ARG A 72 16.704 2.013 -12.436 1.00 0.00 C ATOM 1038 CG ARG A 72 16.203 1.761 -13.848 1.00 0.00 C ATOM 1039 CD ARG A 72 14.693 1.584 -13.881 1.00 0.00 C ATOM 1040 NE ARG A 72 14.162 1.664 -15.239 1.00 0.00 N ATOM 1041 CZ ARG A 72 13.885 2.809 -15.853 1.00 0.00 C ATOM 1042 NH1 ARG A 72 14.089 3.963 -15.234 1.00 0.00 N ATOM 1043 NH2 ARG A 72 13.404 2.800 -17.090 1.00 0.00 N ATOM 0 H ARG A 72 18.273 0.121 -12.213 1.00 0.00 H new ATOM 0 HA ARG A 72 18.560 2.737 -13.242 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.420 1.172 -11.803 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.206 2.896 -12.035 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.487 2.595 -14.490 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.684 0.870 -14.252 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.432 0.619 -13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.225 2.350 -13.263 1.00 0.00 H new ATOM 0 HE ARG A 72 13.995 0.793 -15.744 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.460 3.973 -14.284 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.875 4.841 -15.708 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.247 1.914 -17.570 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.191 3.679 -17.561 1.00 0.00 H new ATOM 1057 N ARG A 73 18.477 2.453 -9.949 1.00 0.00 N ATOM 1058 CA ARG A 73 18.777 3.152 -8.705 1.00 0.00 C ATOM 1059 C ARG A 73 20.145 3.825 -8.775 1.00 0.00 C ATOM 1060 O ARG A 73 20.285 5.005 -8.456 1.00 0.00 O ATOM 1061 CB ARG A 73 18.734 2.180 -7.525 1.00 0.00 C ATOM 1062 CG ARG A 73 17.413 1.440 -7.393 1.00 0.00 C ATOM 1063 CD ARG A 73 17.238 0.857 -5.999 1.00 0.00 C ATOM 1064 NE ARG A 73 18.418 0.115 -5.564 1.00 0.00 N ATOM 1065 CZ ARG A 73 19.406 0.654 -4.859 1.00 0.00 C ATOM 1066 NH1 ARG A 73 19.356 1.932 -4.511 1.00 0.00 N ATOM 1067 NH2 ARG A 73 20.447 -0.086 -4.500 1.00 0.00 N ATOM 0 H ARG A 73 18.204 1.478 -9.829 1.00 0.00 H new ATOM 0 HA ARG A 73 18.020 3.922 -8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 73 19.539 1.453 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 73 18.926 2.731 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 73 16.590 2.121 -7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.368 0.640 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.035 1.662 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 73 16.371 0.197 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 73 18.487 -0.871 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.557 2.504 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 73 20.116 2.343 -3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 73 20.489 -1.070 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 73 21.205 0.329 -3.959 1.00 0.00 H new ATOM 1081 N GLY A 74 21.152 3.064 -9.194 1.00 0.00 N ATOM 1082 CA GLY A 74 22.495 3.603 -9.297 1.00 0.00 C ATOM 1083 C GLY A 74 22.899 3.882 -10.731 1.00 0.00 C ATOM 1084 O GLY A 74 23.445 3.012 -11.410 1.00 0.00 O ATOM 0 H GLY A 74 21.061 2.084 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.559 4.525 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.200 2.900 -8.854 1.00 0.00 H new ATOM 1088 N SER A 75 22.629 5.098 -11.194 1.00 0.00 N ATOM 1089 CA SER A 75 22.963 5.488 -12.559 1.00 0.00 C ATOM 1090 C SER A 75 24.094 6.512 -12.570 1.00 0.00 C ATOM 1091 O SER A 75 23.980 7.587 -11.983 1.00 0.00 O ATOM 1092 CB SER A 75 21.733 6.064 -13.263 1.00 0.00 C ATOM 1093 OG SER A 75 22.087 6.671 -14.493 1.00 0.00 O ATOM 0 H SER A 75 22.180 5.830 -10.644 1.00 0.00 H new ATOM 0 HA SER A 75 23.296 4.598 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.007 5.271 -13.441 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.251 6.798 -12.617 1.00 0.00 H new ATOM 0 HG SER A 75 21.283 7.030 -14.924 1.00 0.00 H new ATOM 1099 N GLY A 76 25.188 6.168 -13.244 1.00 0.00 N ATOM 1100 CA GLY A 76 26.325 7.067 -13.320 1.00 0.00 C ATOM 1101 C GLY A 76 27.052 6.972 -14.647 1.00 0.00 C ATOM 1102 O GLY A 76 26.490 7.249 -15.707 1.00 0.00 O ATOM 0 H GLY A 76 25.307 5.284 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.985 8.091 -13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 76 27.020 6.839 -12.512 1.00 0.00 H new ATOM 1106 N PRO A 77 28.332 6.574 -14.598 1.00 0.00 N ATOM 1107 CA PRO A 77 29.164 6.436 -15.797 1.00 0.00 C ATOM 1108 C PRO A 77 28.730 5.264 -16.671 1.00 0.00 C ATOM 1109 O PRO A 77 28.868 5.305 -17.894 1.00 0.00 O ATOM 1110 CB PRO A 77 30.564 6.191 -15.231 1.00 0.00 C ATOM 1111 CG PRO A 77 30.330 5.598 -13.884 1.00 0.00 C ATOM 1112 CD PRO A 77 29.065 6.228 -13.369 1.00 0.00 C ATOM 0 HA PRO A 77 29.098 7.312 -16.442 1.00 0.00 H new ATOM 0 HB2 PRO A 77 31.135 5.515 -15.867 1.00 0.00 H new ATOM 0 HB3 PRO A 77 31.131 7.119 -15.162 1.00 0.00 H new ATOM 0 HG2 PRO A 77 30.229 4.514 -13.947 1.00 0.00 H new ATOM 0 HG3 PRO A 77 31.167 5.802 -13.217 1.00 0.00 H new ATOM 0 HD2 PRO A 77 28.498 5.538 -12.744 1.00 0.00 H new ATOM 0 HD3 PRO A 77 29.273 7.110 -12.763 1.00 0.00 H new ATOM 1120 N SER A 78 28.205 4.220 -16.037 1.00 0.00 N ATOM 1121 CA SER A 78 27.755 3.035 -16.757 1.00 0.00 C ATOM 1122 C SER A 78 26.628 3.384 -17.726 1.00 0.00 C ATOM 1123 O SER A 78 25.458 3.425 -17.346 1.00 0.00 O ATOM 1124 CB SER A 78 27.283 1.963 -15.773 1.00 0.00 C ATOM 1125 OG SER A 78 26.734 0.850 -16.457 1.00 0.00 O ATOM 0 H SER A 78 28.081 4.171 -15.026 1.00 0.00 H new ATOM 0 HA SER A 78 28.597 2.646 -17.330 1.00 0.00 H new ATOM 0 HB2 SER A 78 28.120 1.638 -15.155 1.00 0.00 H new ATOM 0 HB3 SER A 78 26.536 2.385 -15.101 1.00 0.00 H new ATOM 0 HG SER A 78 26.441 0.178 -15.806 1.00 0.00 H new ATOM 1131 N SER A 79 26.991 3.635 -18.980 1.00 0.00 N ATOM 1132 CA SER A 79 26.013 3.984 -20.003 1.00 0.00 C ATOM 1133 C SER A 79 25.100 2.800 -20.309 1.00 0.00 C ATOM 1134 O SER A 79 25.368 1.673 -19.896 1.00 0.00 O ATOM 1135 CB SER A 79 26.721 4.440 -21.281 1.00 0.00 C ATOM 1136 OG SER A 79 25.911 5.338 -22.020 1.00 0.00 O ATOM 0 H SER A 79 27.955 3.603 -19.311 1.00 0.00 H new ATOM 0 HA SER A 79 25.402 4.803 -19.622 1.00 0.00 H new ATOM 0 HB2 SER A 79 27.664 4.922 -21.025 1.00 0.00 H new ATOM 0 HB3 SER A 79 26.963 3.573 -21.896 1.00 0.00 H new ATOM 0 HG SER A 79 26.386 5.616 -22.831 1.00 0.00 H new ATOM 1142 N GLY A 80 24.019 3.067 -21.036 1.00 0.00 N ATOM 1143 CA GLY A 80 23.082 2.015 -21.385 1.00 0.00 C ATOM 1144 C GLY A 80 21.655 2.516 -21.474 1.00 0.00 C ATOM 1145 O GLY A 80 21.019 2.332 -22.510 1.00 0.00 O ATOM 0 H GLY A 80 23.776 3.992 -21.389 1.00 0.00 H new ATOM 0 HA2 GLY A 80 23.371 1.578 -22.341 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.139 1.220 -20.641 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -2.750 -8.446 -18.075 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.770 -6.109 -16.341 1.00 0.00 ZN