USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 69 TYR OH : 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0.011) USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= 1.07 (180deg=0.281) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0206 F(o=-2.4!,f=-0.021) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot 173:sc= -2.19 USER MOD Single : A 48 ASN : amide:sc=-0.00118 X(o=-0.0012,f=-0.034) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -71:sc= 0.805 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.920 -17.030 -1.644 1.00 0.00 N ATOM 2 CA GLY A 1 9.503 -15.898 -2.338 1.00 0.00 C ATOM 3 C GLY A 1 8.620 -14.666 -2.285 1.00 0.00 C ATOM 4 O GLY A 1 9.020 -13.631 -1.752 1.00 0.00 O ATOM 0 H1 GLY A 1 9.562 -17.846 -1.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.772 -16.785 -0.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.007 -17.272 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.472 -15.666 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.683 -16.167 -3.379 1.00 0.00 H new ATOM 8 N SER A 2 7.418 -14.778 -2.840 1.00 0.00 N ATOM 9 CA SER A 2 6.479 -13.664 -2.858 1.00 0.00 C ATOM 10 C SER A 2 5.347 -13.890 -1.860 1.00 0.00 C ATOM 11 O SER A 2 5.068 -13.039 -1.016 1.00 0.00 O ATOM 12 CB SER A 2 5.904 -13.475 -4.264 1.00 0.00 C ATOM 13 OG SER A 2 5.446 -12.148 -4.454 1.00 0.00 O ATOM 0 H SER A 2 7.072 -15.629 -3.283 1.00 0.00 H new ATOM 0 HA SER A 2 7.019 -12.762 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.667 -13.710 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.081 -14.173 -4.421 1.00 0.00 H new ATOM 0 HG SER A 2 5.085 -12.053 -5.360 1.00 0.00 H new ATOM 19 N SER A 3 4.698 -15.046 -1.964 1.00 0.00 N ATOM 20 CA SER A 3 3.594 -15.385 -1.073 1.00 0.00 C ATOM 21 C SER A 3 4.047 -15.373 0.384 1.00 0.00 C ATOM 22 O SER A 3 5.207 -15.647 0.687 1.00 0.00 O ATOM 23 CB SER A 3 3.027 -16.761 -1.430 1.00 0.00 C ATOM 24 OG SER A 3 1.993 -16.652 -2.393 1.00 0.00 O ATOM 0 H SER A 3 4.917 -15.763 -2.656 1.00 0.00 H new ATOM 0 HA SER A 3 2.815 -14.634 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.823 -17.397 -1.817 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.642 -17.244 -0.532 1.00 0.00 H new ATOM 0 HG SER A 3 1.649 -17.544 -2.606 1.00 0.00 H new ATOM 30 N GLY A 4 3.121 -15.050 1.283 1.00 0.00 N ATOM 31 CA GLY A 4 3.443 -15.007 2.697 1.00 0.00 C ATOM 32 C GLY A 4 2.831 -13.808 3.394 1.00 0.00 C ATOM 33 O GLY A 4 1.659 -13.493 3.187 1.00 0.00 O ATOM 0 H GLY A 4 2.154 -14.818 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.090 -15.921 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.526 -14.981 2.819 1.00 0.00 H new ATOM 37 N SER A 5 3.627 -13.138 4.221 1.00 0.00 N ATOM 38 CA SER A 5 3.155 -11.970 4.956 1.00 0.00 C ATOM 39 C SER A 5 3.976 -10.735 4.598 1.00 0.00 C ATOM 40 O SER A 5 4.349 -9.949 5.468 1.00 0.00 O ATOM 41 CB SER A 5 3.228 -12.225 6.463 1.00 0.00 C ATOM 42 OG SER A 5 4.565 -12.443 6.879 1.00 0.00 O ATOM 0 H SER A 5 4.601 -13.384 4.399 1.00 0.00 H new ATOM 0 HA SER A 5 2.117 -11.790 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.811 -11.373 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.618 -13.092 6.718 1.00 0.00 H new ATOM 0 HG SER A 5 4.585 -12.602 7.846 1.00 0.00 H new ATOM 48 N SER A 6 4.252 -10.570 3.308 1.00 0.00 N ATOM 49 CA SER A 6 5.032 -9.433 2.832 1.00 0.00 C ATOM 50 C SER A 6 4.253 -8.132 3.003 1.00 0.00 C ATOM 51 O SER A 6 3.647 -7.630 2.058 1.00 0.00 O ATOM 52 CB SER A 6 5.409 -9.626 1.362 1.00 0.00 C ATOM 53 OG SER A 6 6.500 -10.521 1.229 1.00 0.00 O ATOM 0 H SER A 6 3.947 -11.209 2.574 1.00 0.00 H new ATOM 0 HA SER A 6 5.943 -9.372 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.551 -10.009 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.668 -8.664 0.920 1.00 0.00 H new ATOM 0 HG SER A 6 6.721 -10.629 0.280 1.00 0.00 H new ATOM 59 N GLY A 7 4.277 -7.591 4.216 1.00 0.00 N ATOM 60 CA GLY A 7 3.571 -6.351 4.490 1.00 0.00 C ATOM 61 C GLY A 7 2.263 -6.250 3.729 1.00 0.00 C ATOM 62 O GLY A 7 1.602 -7.258 3.480 1.00 0.00 O ATOM 0 H GLY A 7 4.772 -7.988 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.373 -6.278 5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.208 -5.507 4.225 1.00 0.00 H new ATOM 66 N ARG A 8 1.889 -5.029 3.360 1.00 0.00 N ATOM 67 CA ARG A 8 0.651 -4.800 2.626 1.00 0.00 C ATOM 68 C ARG A 8 0.916 -4.009 1.348 1.00 0.00 C ATOM 69 O ARG A 8 2.055 -3.642 1.057 1.00 0.00 O ATOM 70 CB ARG A 8 -0.355 -4.050 3.502 1.00 0.00 C ATOM 71 CG ARG A 8 -1.805 -4.305 3.120 1.00 0.00 C ATOM 72 CD ARG A 8 -2.729 -4.161 4.318 1.00 0.00 C ATOM 73 NE ARG A 8 -4.114 -4.484 3.982 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.079 -4.608 4.886 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.812 -4.438 6.174 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.314 -4.904 4.503 1.00 0.00 N ATOM 0 H ARG A 8 2.425 -4.184 3.557 1.00 0.00 H new ATOM 0 HA ARG A 8 0.234 -5.770 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.206 -4.340 4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.154 -2.981 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.106 -3.605 2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.902 -5.307 2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.388 -4.816 5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.676 -3.140 4.696 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.353 -4.622 3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.863 -4.211 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.555 -4.534 6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.523 -5.037 3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.055 -4.999 5.198 1.00 0.00 H new ATOM 90 N ARG A 9 -0.143 -3.752 0.586 1.00 0.00 N ATOM 91 CA ARG A 9 -0.025 -3.008 -0.661 1.00 0.00 C ATOM 92 C ARG A 9 -1.310 -2.244 -0.964 1.00 0.00 C ATOM 93 O ARG A 9 -2.400 -2.817 -0.961 1.00 0.00 O ATOM 94 CB ARG A 9 0.302 -3.956 -1.817 1.00 0.00 C ATOM 95 CG ARG A 9 1.558 -4.782 -1.592 1.00 0.00 C ATOM 96 CD ARG A 9 1.879 -5.648 -2.800 1.00 0.00 C ATOM 97 NE ARG A 9 2.603 -6.860 -2.426 1.00 0.00 N ATOM 98 CZ ARG A 9 2.719 -7.921 -3.218 1.00 0.00 C ATOM 99 NH1 ARG A 9 2.161 -7.917 -4.421 1.00 0.00 N ATOM 100 NH2 ARG A 9 3.393 -8.985 -2.808 1.00 0.00 N ATOM 0 H ARG A 9 -1.092 -4.049 0.812 1.00 0.00 H new ATOM 0 HA ARG A 9 0.786 -2.289 -0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.541 -4.628 -1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.419 -3.374 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.398 -4.119 -1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.426 -5.415 -0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.954 -5.920 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.475 -5.074 -3.510 1.00 0.00 H new ATOM 0 HE ARG A 9 3.044 -6.894 -1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.642 -7.099 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.251 -8.732 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.824 -8.991 -1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.481 -9.799 -3.417 1.00 0.00 H new ATOM 114 N ALA A 10 -1.176 -0.947 -1.222 1.00 0.00 N ATOM 115 CA ALA A 10 -2.327 -0.107 -1.527 1.00 0.00 C ATOM 116 C ALA A 10 -2.260 0.418 -2.957 1.00 0.00 C ATOM 117 O ALA A 10 -1.191 0.780 -3.448 1.00 0.00 O ATOM 118 CB ALA A 10 -2.410 1.051 -0.542 1.00 0.00 C ATOM 0 H ALA A 10 -0.282 -0.456 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.226 -0.716 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.274 1.671 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.512 0.661 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.503 1.652 -0.609 1.00 0.00 H new ATOM 124 N LYS A 11 -3.409 0.455 -3.623 1.00 0.00 N ATOM 125 CA LYS A 11 -3.483 0.935 -4.997 1.00 0.00 C ATOM 126 C LYS A 11 -3.833 2.419 -5.038 1.00 0.00 C ATOM 127 O LYS A 11 -4.750 2.868 -4.350 1.00 0.00 O ATOM 128 CB LYS A 11 -4.521 0.133 -5.785 1.00 0.00 C ATOM 129 CG LYS A 11 -4.502 0.414 -7.277 1.00 0.00 C ATOM 130 CD LYS A 11 -5.833 0.071 -7.926 1.00 0.00 C ATOM 131 CE LYS A 11 -6.872 1.153 -7.672 1.00 0.00 C ATOM 132 NZ LYS A 11 -8.065 0.993 -8.548 1.00 0.00 N ATOM 0 H LYS A 11 -4.303 0.158 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.504 0.798 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.346 -0.930 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.514 0.357 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.274 1.466 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.707 -0.165 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.694 -0.056 -9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.194 -0.881 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.182 1.121 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.425 2.133 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.749 1.749 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.774 1.049 -9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.507 0.069 -8.368 1.00 0.00 H new ATOM 146 N ALA A 12 -3.102 3.174 -5.849 1.00 0.00 N ATOM 147 CA ALA A 12 -3.338 4.607 -5.982 1.00 0.00 C ATOM 148 C ALA A 12 -4.576 4.882 -6.829 1.00 0.00 C ATOM 149 O ALA A 12 -4.740 4.315 -7.909 1.00 0.00 O ATOM 150 CB ALA A 12 -2.121 5.291 -6.584 1.00 0.00 C ATOM 0 H ALA A 12 -2.340 2.818 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.512 5.015 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.313 6.360 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.258 5.132 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.919 4.872 -7.570 1.00 0.00 H new ATOM 156 N LEU A 13 -5.445 5.754 -6.331 1.00 0.00 N ATOM 157 CA LEU A 13 -6.670 6.105 -7.043 1.00 0.00 C ATOM 158 C LEU A 13 -6.452 7.323 -7.935 1.00 0.00 C ATOM 159 O LEU A 13 -7.213 7.565 -8.873 1.00 0.00 O ATOM 160 CB LEU A 13 -7.799 6.382 -6.049 1.00 0.00 C ATOM 161 CG LEU A 13 -7.956 5.373 -4.912 1.00 0.00 C ATOM 162 CD1 LEU A 13 -8.709 5.994 -3.747 1.00 0.00 C ATOM 163 CD2 LEU A 13 -8.668 4.122 -5.403 1.00 0.00 C ATOM 0 H LEU A 13 -5.325 6.231 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.949 5.261 -7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.638 7.368 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.738 6.427 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.962 5.089 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.811 5.260 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.159 6.859 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.698 6.308 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.771 3.415 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.656 4.389 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.088 3.664 -6.204 1.00 0.00 H new ATOM 175 N LEU A 14 -5.406 8.087 -7.640 1.00 0.00 N ATOM 176 CA LEU A 14 -5.084 9.279 -8.416 1.00 0.00 C ATOM 177 C LEU A 14 -3.599 9.611 -8.316 1.00 0.00 C ATOM 178 O LEU A 14 -2.878 9.035 -7.501 1.00 0.00 O ATOM 179 CB LEU A 14 -5.919 10.467 -7.931 1.00 0.00 C ATOM 180 CG LEU A 14 -5.718 10.876 -6.471 1.00 0.00 C ATOM 181 CD1 LEU A 14 -6.001 12.359 -6.290 1.00 0.00 C ATOM 182 CD2 LEU A 14 -6.609 10.046 -5.558 1.00 0.00 C ATOM 0 H LEU A 14 -4.766 7.902 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.321 9.078 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.693 11.326 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.972 10.230 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.679 10.689 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.853 12.633 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.322 12.938 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.031 12.571 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.453 10.350 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.653 10.202 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.360 8.991 -5.667 1.00 0.00 H new ATOM 194 N ASP A 15 -3.149 10.544 -9.147 1.00 0.00 N ATOM 195 CA ASP A 15 -1.751 10.956 -9.150 1.00 0.00 C ATOM 196 C ASP A 15 -1.459 11.899 -7.987 1.00 0.00 C ATOM 197 O ASP A 15 -2.170 12.883 -7.780 1.00 0.00 O ATOM 198 CB ASP A 15 -1.399 11.634 -10.475 1.00 0.00 C ATOM 199 CG ASP A 15 -0.283 12.650 -10.327 1.00 0.00 C ATOM 200 OD1 ASP A 15 0.882 12.230 -10.163 1.00 0.00 O ATOM 201 OD2 ASP A 15 -0.574 13.863 -10.375 1.00 0.00 O ATOM 0 H ASP A 15 -3.733 11.030 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.135 10.064 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.103 10.876 -11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.285 12.128 -10.874 1.00 0.00 H new ATOM 206 N PHE A 16 -0.410 11.593 -7.233 1.00 0.00 N ATOM 207 CA PHE A 16 -0.026 12.413 -6.089 1.00 0.00 C ATOM 208 C PHE A 16 1.472 12.709 -6.111 1.00 0.00 C ATOM 209 O PHE A 16 2.295 11.800 -6.011 1.00 0.00 O ATOM 210 CB PHE A 16 -0.399 11.711 -4.783 1.00 0.00 C ATOM 211 CG PHE A 16 -0.025 12.491 -3.555 1.00 0.00 C ATOM 212 CD1 PHE A 16 -0.664 13.684 -3.255 1.00 0.00 C ATOM 213 CD2 PHE A 16 0.965 12.033 -2.701 1.00 0.00 C ATOM 214 CE1 PHE A 16 -0.324 14.405 -2.125 1.00 0.00 C ATOM 215 CE2 PHE A 16 1.310 12.749 -1.570 1.00 0.00 C ATOM 216 CZ PHE A 16 0.665 13.936 -1.283 1.00 0.00 C ATOM 0 H PHE A 16 0.190 10.784 -7.392 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.567 13.357 -6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.473 11.526 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.092 10.738 -4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.437 14.055 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.473 11.106 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.831 15.332 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.083 12.381 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.934 14.497 -0.400 1.00 0.00 H new ATOM 226 N GLU A 17 1.814 13.986 -6.243 1.00 0.00 N ATOM 227 CA GLU A 17 3.212 14.402 -6.279 1.00 0.00 C ATOM 228 C GLU A 17 3.667 14.902 -4.911 1.00 0.00 C ATOM 229 O GLU A 17 3.416 16.051 -4.544 1.00 0.00 O ATOM 230 CB GLU A 17 3.415 15.497 -7.329 1.00 0.00 C ATOM 231 CG GLU A 17 3.186 15.024 -8.754 1.00 0.00 C ATOM 232 CD GLU A 17 3.496 16.096 -9.782 1.00 0.00 C ATOM 233 OE1 GLU A 17 3.047 17.247 -9.593 1.00 0.00 O ATOM 234 OE2 GLU A 17 4.188 15.784 -10.773 1.00 0.00 O ATOM 0 H GLU A 17 1.144 14.750 -6.327 1.00 0.00 H new ATOM 0 HA GLU A 17 3.815 13.535 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.737 16.323 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.429 15.887 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.808 14.150 -8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.149 14.708 -8.866 1.00 0.00 H new ATOM 241 N ARG A 18 4.335 14.032 -4.162 1.00 0.00 N ATOM 242 CA ARG A 18 4.823 14.384 -2.834 1.00 0.00 C ATOM 243 C ARG A 18 5.380 15.805 -2.818 1.00 0.00 C ATOM 244 O ARG A 18 5.922 16.280 -3.816 1.00 0.00 O ATOM 245 CB ARG A 18 5.901 13.397 -2.385 1.00 0.00 C ATOM 246 CG ARG A 18 7.235 13.591 -3.087 1.00 0.00 C ATOM 247 CD ARG A 18 7.322 12.761 -4.359 1.00 0.00 C ATOM 248 NE ARG A 18 8.171 13.390 -5.365 1.00 0.00 N ATOM 249 CZ ARG A 18 9.486 13.523 -5.238 1.00 0.00 C ATOM 250 NH1 ARG A 18 10.099 13.074 -4.152 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.191 14.107 -6.199 1.00 0.00 N ATOM 0 H ARG A 18 4.551 13.078 -4.452 1.00 0.00 H new ATOM 0 HA ARG A 18 3.983 14.334 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.048 13.497 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.549 12.381 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.370 14.645 -3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.046 13.313 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.714 11.772 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.322 12.617 -4.767 1.00 0.00 H new ATOM 0 HE ARG A 18 7.730 13.747 -6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.560 12.625 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.109 13.177 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.723 14.454 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.201 14.209 -6.101 1.00 0.00 H new ATOM 265 N HIS A 19 5.241 16.477 -1.680 1.00 0.00 N ATOM 266 CA HIS A 19 5.731 17.843 -1.534 1.00 0.00 C ATOM 267 C HIS A 19 6.995 17.880 -0.678 1.00 0.00 C ATOM 268 O HIS A 19 8.014 18.439 -1.084 1.00 0.00 O ATOM 269 CB HIS A 19 4.654 18.730 -0.910 1.00 0.00 C ATOM 270 CG HIS A 19 3.554 19.092 -1.859 1.00 0.00 C ATOM 271 ND1 HIS A 19 3.175 20.394 -2.110 1.00 0.00 N ATOM 272 CD2 HIS A 19 2.749 18.315 -2.621 1.00 0.00 C ATOM 273 CE1 HIS A 19 2.184 20.401 -2.985 1.00 0.00 C ATOM 274 NE2 HIS A 19 1.908 19.152 -3.311 1.00 0.00 N ATOM 0 H HIS A 19 4.793 16.098 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 19 5.974 18.222 -2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.226 18.217 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.118 19.644 -0.538 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.765 17.237 -2.676 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.685 21.279 -3.368 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.187 18.857 -3.969 1.00 0.00 H new ATOM 283 N ASP A 20 6.920 17.280 0.504 1.00 0.00 N ATOM 284 CA ASP A 20 8.056 17.243 1.417 1.00 0.00 C ATOM 285 C ASP A 20 8.978 16.071 1.090 1.00 0.00 C ATOM 286 O ASP A 20 8.542 15.063 0.534 1.00 0.00 O ATOM 287 CB ASP A 20 7.574 17.140 2.864 1.00 0.00 C ATOM 288 CG ASP A 20 8.533 17.789 3.842 1.00 0.00 C ATOM 289 OD1 ASP A 20 8.595 19.036 3.874 1.00 0.00 O ATOM 290 OD2 ASP A 20 9.225 17.050 4.574 1.00 0.00 O ATOM 0 H ASP A 20 6.084 16.812 0.853 1.00 0.00 H new ATOM 0 HA ASP A 20 8.617 18.169 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.595 17.612 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.447 16.090 3.127 1.00 0.00 H new ATOM 295 N ASP A 21 10.252 16.212 1.439 1.00 0.00 N ATOM 296 CA ASP A 21 11.235 15.165 1.182 1.00 0.00 C ATOM 297 C ASP A 21 10.770 13.831 1.758 1.00 0.00 C ATOM 298 O ASP A 21 11.158 12.768 1.276 1.00 0.00 O ATOM 299 CB ASP A 21 12.588 15.549 1.782 1.00 0.00 C ATOM 300 CG ASP A 21 13.282 16.642 0.993 1.00 0.00 C ATOM 301 OD1 ASP A 21 12.953 17.828 1.204 1.00 0.00 O ATOM 302 OD2 ASP A 21 14.155 16.311 0.165 1.00 0.00 O ATOM 0 H ASP A 21 10.628 17.040 1.900 1.00 0.00 H new ATOM 0 HA ASP A 21 11.342 15.057 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.445 15.882 2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.229 14.668 1.818 1.00 0.00 H new ATOM 307 N ASP A 22 9.936 13.896 2.790 1.00 0.00 N ATOM 308 CA ASP A 22 9.419 12.694 3.432 1.00 0.00 C ATOM 309 C ASP A 22 8.192 12.168 2.692 1.00 0.00 C ATOM 310 O ASP A 22 8.064 10.967 2.459 1.00 0.00 O ATOM 311 CB ASP A 22 9.064 12.981 4.893 1.00 0.00 C ATOM 312 CG ASP A 22 9.206 11.756 5.774 1.00 0.00 C ATOM 313 OD1 ASP A 22 8.814 10.657 5.330 1.00 0.00 O ATOM 314 OD2 ASP A 22 9.708 11.896 6.909 1.00 0.00 O ATOM 0 H ASP A 22 9.604 14.769 3.200 1.00 0.00 H new ATOM 0 HA ASP A 22 10.197 11.931 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.709 13.774 5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.040 13.349 4.950 1.00 0.00 H new ATOM 319 N GLU A 23 7.295 13.077 2.326 1.00 0.00 N ATOM 320 CA GLU A 23 6.077 12.703 1.614 1.00 0.00 C ATOM 321 C GLU A 23 6.396 11.784 0.438 1.00 0.00 C ATOM 322 O GLU A 23 7.343 12.022 -0.312 1.00 0.00 O ATOM 323 CB GLU A 23 5.349 13.953 1.115 1.00 0.00 C ATOM 324 CG GLU A 23 4.628 14.717 2.214 1.00 0.00 C ATOM 325 CD GLU A 23 3.227 14.195 2.466 1.00 0.00 C ATOM 326 OE1 GLU A 23 3.078 12.972 2.670 1.00 0.00 O ATOM 327 OE2 GLU A 23 2.281 15.009 2.458 1.00 0.00 O ATOM 0 H GLU A 23 7.387 14.076 2.510 1.00 0.00 H new ATOM 0 HA GLU A 23 5.430 12.166 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.069 14.616 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.627 13.662 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.207 14.653 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.575 15.772 1.944 1.00 0.00 H new ATOM 334 N LEU A 24 5.598 10.733 0.284 1.00 0.00 N ATOM 335 CA LEU A 24 5.793 9.777 -0.800 1.00 0.00 C ATOM 336 C LEU A 24 4.805 10.028 -1.934 1.00 0.00 C ATOM 337 O LEU A 24 3.594 10.053 -1.721 1.00 0.00 O ATOM 338 CB LEU A 24 5.636 8.347 -0.279 1.00 0.00 C ATOM 339 CG LEU A 24 5.859 7.231 -1.302 1.00 0.00 C ATOM 340 CD1 LEU A 24 7.291 7.256 -1.814 1.00 0.00 C ATOM 341 CD2 LEU A 24 5.531 5.877 -0.692 1.00 0.00 C ATOM 0 H LEU A 24 4.810 10.521 0.896 1.00 0.00 H new ATOM 0 HA LEU A 24 6.803 9.908 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.336 8.203 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.632 8.240 0.133 1.00 0.00 H new ATOM 0 HG LEU A 24 5.191 7.398 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.432 6.456 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.491 8.216 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.978 7.114 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.695 5.095 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.174 5.701 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.488 5.864 -0.375 1.00 0.00 H new ATOM 353 N GLY A 25 5.331 10.212 -3.140 1.00 0.00 N ATOM 354 CA GLY A 25 4.480 10.458 -4.291 1.00 0.00 C ATOM 355 C GLY A 25 4.242 9.207 -5.114 1.00 0.00 C ATOM 356 O GLY A 25 4.992 8.237 -5.011 1.00 0.00 O ATOM 0 H GLY A 25 6.331 10.195 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.523 10.854 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.937 11.222 -4.920 1.00 0.00 H new ATOM 360 N PHE A 26 3.194 9.229 -5.930 1.00 0.00 N ATOM 361 CA PHE A 26 2.858 8.087 -6.771 1.00 0.00 C ATOM 362 C PHE A 26 1.924 8.503 -7.906 1.00 0.00 C ATOM 363 O PHE A 26 1.520 9.662 -7.997 1.00 0.00 O ATOM 364 CB PHE A 26 2.203 6.985 -5.935 1.00 0.00 C ATOM 365 CG PHE A 26 1.280 7.508 -4.872 1.00 0.00 C ATOM 366 CD1 PHE A 26 1.769 7.862 -3.623 1.00 0.00 C ATOM 367 CD2 PHE A 26 -0.076 7.648 -5.119 1.00 0.00 C ATOM 368 CE1 PHE A 26 0.922 8.343 -2.643 1.00 0.00 C ATOM 369 CE2 PHE A 26 -0.927 8.130 -4.143 1.00 0.00 C ATOM 370 CZ PHE A 26 -0.428 8.477 -2.904 1.00 0.00 C ATOM 0 H PHE A 26 2.563 10.025 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 26 3.781 7.704 -7.205 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.645 6.322 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.982 6.385 -5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.824 7.760 -3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.473 7.377 -6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.315 8.614 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.982 8.235 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.092 8.853 -2.140 1.00 0.00 H new ATOM 380 N ARG A 27 1.587 7.547 -8.766 1.00 0.00 N ATOM 381 CA ARG A 27 0.704 7.815 -9.895 1.00 0.00 C ATOM 382 C ARG A 27 -0.543 6.938 -9.828 1.00 0.00 C ATOM 383 O ARG A 27 -0.597 5.972 -9.068 1.00 0.00 O ATOM 384 CB ARG A 27 1.440 7.571 -11.214 1.00 0.00 C ATOM 385 CG ARG A 27 2.150 8.803 -11.751 1.00 0.00 C ATOM 386 CD ARG A 27 1.212 9.671 -12.577 1.00 0.00 C ATOM 387 NE ARG A 27 1.081 9.186 -13.947 1.00 0.00 N ATOM 388 CZ ARG A 27 0.189 9.656 -14.811 1.00 0.00 C ATOM 389 NH1 ARG A 27 -0.648 10.619 -14.448 1.00 0.00 N ATOM 390 NH2 ARG A 27 0.131 9.164 -16.042 1.00 0.00 N ATOM 0 H ARG A 27 1.911 6.582 -8.703 1.00 0.00 H new ATOM 0 HA ARG A 27 0.397 8.860 -9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.170 6.774 -11.071 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.726 7.219 -11.959 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.549 9.385 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.998 8.497 -12.363 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.230 9.694 -12.105 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.583 10.696 -12.589 1.00 0.00 H new ATOM 0 HE ARG A 27 1.709 8.445 -14.258 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.607 11.001 -13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.332 10.978 -15.114 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.772 8.423 -16.326 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.555 9.526 -16.704 1.00 0.00 H new ATOM 404 N LYS A 28 -1.546 7.284 -10.628 1.00 0.00 N ATOM 405 CA LYS A 28 -2.794 6.531 -10.661 1.00 0.00 C ATOM 406 C LYS A 28 -2.545 5.083 -11.074 1.00 0.00 C ATOM 407 O LYS A 28 -1.694 4.807 -11.919 1.00 0.00 O ATOM 408 CB LYS A 28 -3.783 7.185 -11.628 1.00 0.00 C ATOM 409 CG LYS A 28 -5.231 6.814 -11.360 1.00 0.00 C ATOM 410 CD LYS A 28 -6.108 7.073 -12.573 1.00 0.00 C ATOM 411 CE LYS A 28 -7.564 7.264 -12.178 1.00 0.00 C ATOM 412 NZ LYS A 28 -7.777 8.545 -11.447 1.00 0.00 N ATOM 0 H LYS A 28 -1.519 8.082 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.219 6.537 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.677 8.268 -11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.526 6.897 -12.647 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.292 5.761 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.603 7.388 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.753 7.960 -13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.025 6.238 -13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.188 7.248 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.883 6.431 -11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.755 8.868 -11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.606 8.398 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.119 9.264 -11.808 1.00 0.00 H new ATOM 426 N ASN A 29 -3.294 4.164 -10.475 1.00 0.00 N ATOM 427 CA ASN A 29 -3.155 2.746 -10.781 1.00 0.00 C ATOM 428 C ASN A 29 -1.745 2.255 -10.464 1.00 0.00 C ATOM 429 O ASN A 29 -1.144 1.516 -11.243 1.00 0.00 O ATOM 430 CB ASN A 29 -3.477 2.488 -12.254 1.00 0.00 C ATOM 431 CG ASN A 29 -4.970 2.462 -12.523 1.00 0.00 C ATOM 432 OD1 ASN A 29 -5.719 3.265 -11.778 1.00 0.00 O flip ATOM 433 ND2 ASN A 29 -5.443 1.729 -13.393 1.00 0.00 N flip ATOM 0 H ASN A 29 -4.004 4.376 -9.774 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.860 2.195 -10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.014 3.262 -12.866 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.039 1.537 -12.558 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.829 1.128 -13.942 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.449 1.724 -13.564 1.00 0.00 H new ATOM 440 N ASP A 30 -1.224 2.674 -9.316 1.00 0.00 N ATOM 441 CA ASP A 30 0.114 2.278 -8.895 1.00 0.00 C ATOM 442 C ASP A 30 0.067 1.541 -7.560 1.00 0.00 C ATOM 443 O ASP A 30 -0.701 1.901 -6.668 1.00 0.00 O ATOM 444 CB ASP A 30 1.020 3.504 -8.782 1.00 0.00 C ATOM 445 CG ASP A 30 1.343 4.112 -10.134 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.446 4.135 -11.002 1.00 0.00 O ATOM 447 OD2 ASP A 30 2.491 4.566 -10.322 1.00 0.00 O ATOM 0 H ASP A 30 -1.708 3.288 -8.661 1.00 0.00 H new ATOM 0 HA ASP A 30 0.521 1.604 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.536 4.254 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.947 3.222 -8.283 1.00 0.00 H new ATOM 452 N ILE A 31 0.892 0.507 -7.431 1.00 0.00 N ATOM 453 CA ILE A 31 0.945 -0.280 -6.204 1.00 0.00 C ATOM 454 C ILE A 31 2.075 0.190 -5.298 1.00 0.00 C ATOM 455 O ILE A 31 3.189 0.447 -5.756 1.00 0.00 O ATOM 456 CB ILE A 31 1.135 -1.779 -6.506 1.00 0.00 C ATOM 457 CG1 ILE A 31 0.144 -2.235 -7.580 1.00 0.00 C ATOM 458 CG2 ILE A 31 0.964 -2.600 -5.237 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.272 -2.389 -7.068 1.00 0.00 C ATOM 0 H ILE A 31 1.533 0.195 -8.161 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.008 -0.137 -5.696 1.00 0.00 H new ATOM 0 HB ILE A 31 2.146 -1.934 -6.882 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.150 -1.515 -8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.479 -3.187 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.101 -3.657 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.705 -2.289 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.037 -2.443 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.920 -2.714 -7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.292 -3.131 -6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.626 -1.433 -6.683 1.00 0.00 H new ATOM 471 N ILE A 32 1.783 0.302 -4.005 1.00 0.00 N ATOM 472 CA ILE A 32 2.774 0.739 -3.032 1.00 0.00 C ATOM 473 C ILE A 32 2.783 -0.170 -1.808 1.00 0.00 C ATOM 474 O ILE A 32 1.748 -0.393 -1.179 1.00 0.00 O ATOM 475 CB ILE A 32 2.518 2.189 -2.579 1.00 0.00 C ATOM 476 CG1 ILE A 32 2.424 3.117 -3.793 1.00 0.00 C ATOM 477 CG2 ILE A 32 3.619 2.652 -1.637 1.00 0.00 C ATOM 478 CD1 ILE A 32 1.545 4.327 -3.561 1.00 0.00 C ATOM 0 H ILE A 32 0.866 0.095 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 32 3.744 0.687 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 32 1.569 2.224 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.426 3.452 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.037 2.554 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.424 3.678 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.643 2.005 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.580 2.605 -2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.524 4.940 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.533 4.001 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.944 4.913 -2.733 1.00 0.00 H new ATOM 490 N THR A 33 3.958 -0.692 -1.474 1.00 0.00 N ATOM 491 CA THR A 33 4.102 -1.577 -0.324 1.00 0.00 C ATOM 492 C THR A 33 4.024 -0.797 0.984 1.00 0.00 C ATOM 493 O THR A 33 4.728 0.197 1.166 1.00 0.00 O ATOM 494 CB THR A 33 5.435 -2.346 -0.370 1.00 0.00 C ATOM 495 OG1 THR A 33 5.479 -3.179 -1.535 1.00 0.00 O ATOM 496 CG2 THR A 33 5.611 -3.201 0.876 1.00 0.00 C ATOM 0 H THR A 33 4.824 -0.518 -1.983 1.00 0.00 H new ATOM 0 HA THR A 33 3.278 -2.289 -0.369 1.00 0.00 H new ATOM 0 HB THR A 33 6.247 -1.620 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.330 -3.664 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.560 -3.735 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.605 -2.562 1.759 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.794 -3.920 0.943 1.00 0.00 H new ATOM 504 N ILE A 34 3.166 -1.254 1.889 1.00 0.00 N ATOM 505 CA ILE A 34 3.000 -0.599 3.181 1.00 0.00 C ATOM 506 C ILE A 34 3.965 -1.169 4.215 1.00 0.00 C ATOM 507 O ILE A 34 3.904 -2.352 4.549 1.00 0.00 O ATOM 508 CB ILE A 34 1.559 -0.747 3.705 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.557 -0.336 2.625 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.364 0.090 4.961 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.879 -0.329 3.102 1.00 0.00 C ATOM 0 H ILE A 34 2.575 -2.074 1.752 1.00 0.00 H new ATOM 0 HA ILE A 34 3.217 0.458 3.029 1.00 0.00 H new ATOM 0 HB ILE A 34 1.385 -1.793 3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.815 0.659 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.647 -1.018 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.341 -0.025 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.058 -0.244 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.553 1.139 4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.533 -0.028 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.155 -1.328 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.985 0.374 3.928 1.00 0.00 H new ATOM 523 N ILE A 35 4.852 -0.318 4.720 1.00 0.00 N ATOM 524 CA ILE A 35 5.828 -0.736 5.718 1.00 0.00 C ATOM 525 C ILE A 35 5.287 -0.541 7.131 1.00 0.00 C ATOM 526 O ILE A 35 5.097 -1.506 7.872 1.00 0.00 O ATOM 527 CB ILE A 35 7.150 0.043 5.576 1.00 0.00 C ATOM 528 CG1 ILE A 35 7.628 0.015 4.121 1.00 0.00 C ATOM 529 CG2 ILE A 35 8.209 -0.539 6.498 1.00 0.00 C ATOM 530 CD1 ILE A 35 8.076 -1.354 3.659 1.00 0.00 C ATOM 0 H ILE A 35 4.915 0.665 4.454 1.00 0.00 H new ATOM 0 HA ILE A 35 6.020 -1.795 5.546 1.00 0.00 H new ATOM 0 HB ILE A 35 6.977 1.080 5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.821 0.362 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.454 0.717 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.137 0.022 6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.868 -0.474 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.383 -1.583 6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.401 -1.299 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.904 -1.695 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.246 -2.056 3.743 1.00 0.00 H new ATOM 542 N SER A 36 5.041 0.712 7.497 1.00 0.00 N ATOM 543 CA SER A 36 4.523 1.034 8.821 1.00 0.00 C ATOM 544 C SER A 36 3.401 2.064 8.730 1.00 0.00 C ATOM 545 O SER A 36 3.627 3.211 8.349 1.00 0.00 O ATOM 546 CB SER A 36 5.644 1.563 9.715 1.00 0.00 C ATOM 547 OG SER A 36 5.405 1.246 11.076 1.00 0.00 O ATOM 0 H SER A 36 5.192 1.521 6.895 1.00 0.00 H new ATOM 0 HA SER A 36 4.120 0.121 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.596 1.135 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.726 2.644 9.599 1.00 0.00 H new ATOM 0 HG SER A 36 6.137 1.594 11.626 1.00 0.00 H new ATOM 553 N GLN A 37 2.190 1.644 9.085 1.00 0.00 N ATOM 554 CA GLN A 37 1.033 2.530 9.042 1.00 0.00 C ATOM 555 C GLN A 37 0.967 3.400 10.293 1.00 0.00 C ATOM 556 O GLN A 37 0.333 3.036 11.283 1.00 0.00 O ATOM 557 CB GLN A 37 -0.255 1.714 8.905 1.00 0.00 C ATOM 558 CG GLN A 37 -0.329 0.906 7.620 1.00 0.00 C ATOM 559 CD GLN A 37 -1.335 -0.225 7.700 1.00 0.00 C ATOM 560 OE1 GLN A 37 -0.962 -1.395 7.799 1.00 0.00 O ATOM 561 NE2 GLN A 37 -2.616 0.117 7.657 1.00 0.00 N ATOM 0 H GLN A 37 1.986 0.697 9.405 1.00 0.00 H new ATOM 0 HA GLN A 37 1.137 3.181 8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.339 1.037 9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.110 2.389 8.950 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.595 1.566 6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.656 0.496 7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.879 1.099 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.338 -0.602 7.706 1.00 0.00 H new ATOM 570 N LYS A 38 1.628 4.552 10.241 1.00 0.00 N ATOM 571 CA LYS A 38 1.644 5.475 11.369 1.00 0.00 C ATOM 572 C LYS A 38 0.265 5.576 12.011 1.00 0.00 C ATOM 573 O LYS A 38 0.109 5.346 13.211 1.00 0.00 O ATOM 574 CB LYS A 38 2.108 6.861 10.913 1.00 0.00 C ATOM 575 CG LYS A 38 2.580 7.749 12.052 1.00 0.00 C ATOM 576 CD LYS A 38 2.810 9.177 11.587 1.00 0.00 C ATOM 577 CE LYS A 38 3.615 9.971 12.602 1.00 0.00 C ATOM 578 NZ LYS A 38 3.978 11.323 12.088 1.00 0.00 N ATOM 0 H LYS A 38 2.159 4.868 9.430 1.00 0.00 H new ATOM 0 HA LYS A 38 2.343 5.089 12.111 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.919 6.745 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.288 7.356 10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.840 7.741 12.852 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.504 7.348 12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.334 9.169 10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.850 9.665 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.039 10.075 13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.523 9.423 12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.526 11.833 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.549 11.224 11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.112 11.856 11.871 1.00 0.00 H new ATOM 592 N ASP A 39 -0.735 5.918 11.206 1.00 0.00 N ATOM 593 CA ASP A 39 -2.103 6.045 11.695 1.00 0.00 C ATOM 594 C ASP A 39 -3.105 5.683 10.604 1.00 0.00 C ATOM 595 O ASP A 39 -2.723 5.359 9.480 1.00 0.00 O ATOM 596 CB ASP A 39 -2.359 7.471 12.189 1.00 0.00 C ATOM 597 CG ASP A 39 -1.595 8.507 11.389 1.00 0.00 C ATOM 598 OD1 ASP A 39 -0.346 8.460 11.396 1.00 0.00 O ATOM 599 OD2 ASP A 39 -2.243 9.364 10.754 1.00 0.00 O ATOM 0 H ASP A 39 -0.624 6.112 10.211 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.233 5.352 12.526 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.426 7.686 12.131 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.075 7.545 13.239 1.00 0.00 H new ATOM 604 N GLU A 40 -4.389 5.741 10.945 1.00 0.00 N ATOM 605 CA GLU A 40 -5.447 5.417 9.995 1.00 0.00 C ATOM 606 C GLU A 40 -5.511 6.453 8.879 1.00 0.00 C ATOM 607 O GLU A 40 -6.296 6.322 7.938 1.00 0.00 O ATOM 608 CB GLU A 40 -6.797 5.335 10.709 1.00 0.00 C ATOM 609 CG GLU A 40 -7.909 4.764 9.845 1.00 0.00 C ATOM 610 CD GLU A 40 -9.207 4.580 10.610 1.00 0.00 C ATOM 611 OE1 GLU A 40 -9.526 5.446 11.451 1.00 0.00 O ATOM 612 OE2 GLU A 40 -9.900 3.571 10.366 1.00 0.00 O ATOM 0 H GLU A 40 -4.721 6.009 11.871 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.219 4.447 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.689 4.719 11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.083 6.332 11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.082 5.427 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.592 3.804 9.439 1.00 0.00 H new ATOM 619 N HIS A 41 -4.679 7.486 8.987 1.00 0.00 N ATOM 620 CA HIS A 41 -4.642 8.546 7.987 1.00 0.00 C ATOM 621 C HIS A 41 -3.275 8.605 7.310 1.00 0.00 C ATOM 622 O HIS A 41 -3.182 8.639 6.082 1.00 0.00 O ATOM 623 CB HIS A 41 -4.964 9.896 8.632 1.00 0.00 C ATOM 624 CG HIS A 41 -6.432 10.176 8.731 1.00 0.00 C ATOM 625 ND1 HIS A 41 -6.988 11.395 8.402 1.00 0.00 N ATOM 626 CD2 HIS A 41 -7.459 9.388 9.123 1.00 0.00 C ATOM 627 CE1 HIS A 41 -8.295 11.345 8.589 1.00 0.00 C ATOM 628 NE2 HIS A 41 -8.606 10.137 9.027 1.00 0.00 N ATOM 0 H HIS A 41 -4.022 7.610 9.757 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.394 8.325 7.230 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.528 9.926 9.631 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -4.489 10.689 8.054 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.390 8.361 9.450 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -8.990 12.153 8.414 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -9.546 9.814 9.256 1.00 0.00 H new ATOM 637 N CYS A 42 -2.221 8.619 8.117 1.00 0.00 N ATOM 638 CA CYS A 42 -0.860 8.674 7.595 1.00 0.00 C ATOM 639 C CYS A 42 -0.231 7.286 7.565 1.00 0.00 C ATOM 640 O CYS A 42 -0.058 6.650 8.605 1.00 0.00 O ATOM 641 CB CYS A 42 -0.006 9.617 8.445 1.00 0.00 C ATOM 642 SG CYS A 42 1.769 9.281 8.361 1.00 0.00 S ATOM 0 H CYS A 42 -2.282 8.593 9.135 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.903 9.053 6.574 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.187 10.643 8.124 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.330 9.547 9.483 1.00 0.00 H new ATOM 0 HG CYS A 42 2.418 10.217 8.988 1.00 0.00 H new ATOM 648 N TRP A 43 0.107 6.821 6.368 1.00 0.00 N ATOM 649 CA TRP A 43 0.715 5.506 6.202 1.00 0.00 C ATOM 650 C TRP A 43 2.107 5.624 5.590 1.00 0.00 C ATOM 651 O TRP A 43 2.395 6.569 4.856 1.00 0.00 O ATOM 652 CB TRP A 43 -0.170 4.620 5.323 1.00 0.00 C ATOM 653 CG TRP A 43 -1.475 4.259 5.967 1.00 0.00 C ATOM 654 CD1 TRP A 43 -1.812 4.418 7.280 1.00 0.00 C ATOM 655 CD2 TRP A 43 -2.614 3.678 5.325 1.00 0.00 C ATOM 656 NE1 TRP A 43 -3.094 3.969 7.494 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.608 3.511 6.310 1.00 0.00 C ATOM 658 CE3 TRP A 43 -2.893 3.283 4.014 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -4.856 2.967 6.022 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -4.133 2.742 3.730 1.00 0.00 C ATOM 661 CH2 TRP A 43 -5.102 2.588 4.731 1.00 0.00 C ATOM 0 H TRP A 43 -0.030 7.335 5.498 1.00 0.00 H new ATOM 0 HA TRP A 43 0.809 5.049 7.187 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.367 5.135 4.383 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.372 3.706 5.079 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.167 4.835 8.039 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.583 3.976 8.389 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.153 3.398 3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.605 2.848 6.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.359 2.433 2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.062 2.162 4.478 1.00 0.00 H new ATOM 672 N VAL A 44 2.966 4.657 5.896 1.00 0.00 N ATOM 673 CA VAL A 44 4.328 4.650 5.374 1.00 0.00 C ATOM 674 C VAL A 44 4.575 3.430 4.497 1.00 0.00 C ATOM 675 O VAL A 44 4.673 2.308 4.991 1.00 0.00 O ATOM 676 CB VAL A 44 5.365 4.670 6.513 1.00 0.00 C ATOM 677 CG1 VAL A 44 6.769 4.840 5.953 1.00 0.00 C ATOM 678 CG2 VAL A 44 5.042 5.774 7.508 1.00 0.00 C ATOM 0 H VAL A 44 2.743 3.868 6.503 1.00 0.00 H new ATOM 0 HA VAL A 44 4.441 5.553 4.773 1.00 0.00 H new ATOM 0 HB VAL A 44 5.322 3.716 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.488 4.852 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.996 4.011 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.830 5.779 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.785 5.774 8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.056 6.738 6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.053 5.603 7.933 1.00 0.00 H new ATOM 688 N GLY A 45 4.675 3.656 3.190 1.00 0.00 N ATOM 689 CA GLY A 45 4.912 2.564 2.264 1.00 0.00 C ATOM 690 C GLY A 45 6.212 2.722 1.501 1.00 0.00 C ATOM 691 O GLY A 45 7.107 3.445 1.934 1.00 0.00 O ATOM 0 H GLY A 45 4.596 4.576 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.929 1.623 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.084 2.505 1.557 1.00 0.00 H new ATOM 695 N GLU A 46 6.314 2.042 0.362 1.00 0.00 N ATOM 696 CA GLU A 46 7.517 2.109 -0.459 1.00 0.00 C ATOM 697 C GLU A 46 7.163 2.060 -1.943 1.00 0.00 C ATOM 698 O GLU A 46 6.244 1.347 -2.352 1.00 0.00 O ATOM 699 CB GLU A 46 8.464 0.959 -0.111 1.00 0.00 C ATOM 700 CG GLU A 46 9.919 1.246 -0.442 1.00 0.00 C ATOM 701 CD GLU A 46 10.166 1.360 -1.934 1.00 0.00 C ATOM 702 OE1 GLU A 46 9.430 0.713 -2.708 1.00 0.00 O ATOM 703 OE2 GLU A 46 11.095 2.096 -2.327 1.00 0.00 O ATOM 0 H GLU A 46 5.580 1.440 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 46 8.017 3.055 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.379 0.739 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.148 0.064 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.222 2.173 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.544 0.452 -0.034 1.00 0.00 H new ATOM 710 N LEU A 47 7.898 2.821 -2.746 1.00 0.00 N ATOM 711 CA LEU A 47 7.664 2.866 -4.185 1.00 0.00 C ATOM 712 C LEU A 47 8.818 3.559 -4.903 1.00 0.00 C ATOM 713 O LEU A 47 9.303 4.598 -4.459 1.00 0.00 O ATOM 714 CB LEU A 47 6.352 3.592 -4.485 1.00 0.00 C ATOM 715 CG LEU A 47 5.922 3.621 -5.952 1.00 0.00 C ATOM 716 CD1 LEU A 47 5.276 2.300 -6.346 1.00 0.00 C ATOM 717 CD2 LEU A 47 4.966 4.779 -6.206 1.00 0.00 C ATOM 0 H LEU A 47 8.662 3.416 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 47 7.597 1.841 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.559 3.122 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.440 4.620 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 47 6.810 3.767 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.977 2.340 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.990 1.489 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.398 2.124 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.671 4.784 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.081 4.664 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.461 5.719 -5.964 1.00 0.00 H new ATOM 729 N ASN A 48 9.250 2.976 -6.017 1.00 0.00 N ATOM 730 CA ASN A 48 10.345 3.539 -6.798 1.00 0.00 C ATOM 731 C ASN A 48 11.559 3.810 -5.915 1.00 0.00 C ATOM 732 O ASN A 48 12.249 4.815 -6.082 1.00 0.00 O ATOM 733 CB ASN A 48 9.899 4.831 -7.483 1.00 0.00 C ATOM 734 CG ASN A 48 9.002 4.574 -8.678 1.00 0.00 C ATOM 735 OD1 ASN A 48 9.372 3.850 -9.602 1.00 0.00 O ATOM 736 ND2 ASN A 48 7.813 5.167 -8.665 1.00 0.00 N ATOM 0 H ASN A 48 8.859 2.115 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 48 10.627 2.812 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.370 5.456 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.778 5.390 -7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.166 5.030 -9.442 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.547 5.759 -7.878 1.00 0.00 H new ATOM 743 N GLY A 49 11.814 2.905 -4.975 1.00 0.00 N ATOM 744 CA GLY A 49 12.946 3.065 -4.080 1.00 0.00 C ATOM 745 C GLY A 49 12.804 4.273 -3.175 1.00 0.00 C ATOM 746 O GLY A 49 13.791 4.930 -2.843 1.00 0.00 O ATOM 0 H GLY A 49 11.258 2.065 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.052 2.168 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.859 3.161 -4.668 1.00 0.00 H new ATOM 750 N LEU A 50 11.571 4.567 -2.774 1.00 0.00 N ATOM 751 CA LEU A 50 11.303 5.706 -1.903 1.00 0.00 C ATOM 752 C LEU A 50 10.370 5.310 -0.762 1.00 0.00 C ATOM 753 O LEU A 50 9.289 4.767 -0.989 1.00 0.00 O ATOM 754 CB LEU A 50 10.686 6.852 -2.706 1.00 0.00 C ATOM 755 CG LEU A 50 11.397 7.218 -4.008 1.00 0.00 C ATOM 756 CD1 LEU A 50 10.583 8.237 -4.792 1.00 0.00 C ATOM 757 CD2 LEU A 50 12.793 7.753 -3.723 1.00 0.00 C ATOM 0 H LEU A 50 10.743 4.033 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 50 12.250 6.037 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.654 6.590 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.654 7.738 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 50 11.493 6.316 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.105 8.486 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.605 7.817 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.455 9.139 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.284 8.008 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.721 8.643 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.376 6.992 -3.205 1.00 0.00 H new ATOM 769 N ARG A 51 10.796 5.587 0.466 1.00 0.00 N ATOM 770 CA ARG A 51 10.001 5.261 1.644 1.00 0.00 C ATOM 771 C ARG A 51 9.621 6.524 2.410 1.00 0.00 C ATOM 772 O ARG A 51 10.486 7.287 2.836 1.00 0.00 O ATOM 773 CB ARG A 51 10.772 4.308 2.560 1.00 0.00 C ATOM 774 CG ARG A 51 9.877 3.372 3.356 1.00 0.00 C ATOM 775 CD ARG A 51 10.679 2.546 4.349 1.00 0.00 C ATOM 776 NE ARG A 51 11.404 3.386 5.299 1.00 0.00 N ATOM 777 CZ ARG A 51 12.601 3.908 5.056 1.00 0.00 C ATOM 778 NH1 ARG A 51 13.203 3.681 3.897 1.00 0.00 N ATOM 779 NH2 ARG A 51 13.196 4.662 5.970 1.00 0.00 N ATOM 0 H ARG A 51 11.688 6.037 0.671 1.00 0.00 H new ATOM 0 HA ARG A 51 9.087 4.771 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.459 3.715 1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.378 4.893 3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.124 3.952 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.345 2.708 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.008 1.880 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.386 1.916 3.809 1.00 0.00 H new ATOM 0 HE ARG A 51 10.967 3.583 6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.747 3.105 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.122 4.083 3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.735 4.842 6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.115 5.062 5.782 1.00 0.00 H new ATOM 793 N GLY A 52 8.320 6.738 2.581 1.00 0.00 N ATOM 794 CA GLY A 52 7.847 7.909 3.295 1.00 0.00 C ATOM 795 C GLY A 52 6.383 7.809 3.671 1.00 0.00 C ATOM 796 O GLY A 52 5.757 6.765 3.482 1.00 0.00 O ATOM 0 H GLY A 52 7.585 6.120 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.442 8.044 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.000 8.794 2.677 1.00 0.00 H new ATOM 800 N TRP A 53 5.834 8.894 4.206 1.00 0.00 N ATOM 801 CA TRP A 53 4.434 8.922 4.611 1.00 0.00 C ATOM 802 C TRP A 53 3.552 9.445 3.483 1.00 0.00 C ATOM 803 O TRP A 53 4.042 10.031 2.518 1.00 0.00 O ATOM 804 CB TRP A 53 4.259 9.792 5.856 1.00 0.00 C ATOM 805 CG TRP A 53 4.365 11.261 5.575 1.00 0.00 C ATOM 806 CD1 TRP A 53 5.490 11.949 5.222 1.00 0.00 C ATOM 807 CD2 TRP A 53 3.305 12.221 5.625 1.00 0.00 C ATOM 808 NE1 TRP A 53 5.194 13.280 5.049 1.00 0.00 N ATOM 809 CE2 TRP A 53 3.858 13.472 5.290 1.00 0.00 C ATOM 810 CE3 TRP A 53 1.941 12.146 5.918 1.00 0.00 C ATOM 811 CZ2 TRP A 53 3.095 14.636 5.242 1.00 0.00 C ATOM 812 CZ3 TRP A 53 1.185 13.302 5.870 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.764 14.533 5.534 1.00 0.00 C ATOM 0 H TRP A 53 6.338 9.766 4.369 1.00 0.00 H new ATOM 0 HA TRP A 53 4.129 7.902 4.843 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.286 9.584 6.302 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.013 9.515 6.593 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.469 11.511 5.097 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.860 14.006 4.785 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.486 11.202 6.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.539 15.586 4.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.130 13.256 6.095 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.146 15.418 5.505 1.00 0.00 H new ATOM 824 N PHE A 54 2.246 9.231 3.610 1.00 0.00 N ATOM 825 CA PHE A 54 1.295 9.680 2.600 1.00 0.00 C ATOM 826 C PHE A 54 -0.140 9.458 3.068 1.00 0.00 C ATOM 827 O PHE A 54 -0.429 8.567 3.867 1.00 0.00 O ATOM 828 CB PHE A 54 1.534 8.943 1.280 1.00 0.00 C ATOM 829 CG PHE A 54 1.256 7.470 1.359 1.00 0.00 C ATOM 830 CD1 PHE A 54 -0.046 6.997 1.377 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.297 6.557 1.414 1.00 0.00 C ATOM 832 CE1 PHE A 54 -0.306 5.641 1.447 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.044 5.201 1.486 1.00 0.00 C ATOM 834 CZ PHE A 54 0.741 4.742 1.503 1.00 0.00 C ATOM 0 H PHE A 54 1.822 8.749 4.403 1.00 0.00 H new ATOM 0 HA PHE A 54 1.446 10.748 2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.903 9.383 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.568 9.094 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.868 7.696 1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.318 6.910 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.326 5.285 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.864 4.500 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.542 3.682 1.560 1.00 0.00 H new ATOM 844 N PRO A 55 -1.063 10.288 2.558 1.00 0.00 N ATOM 845 CA PRO A 55 -2.483 10.203 2.910 1.00 0.00 C ATOM 846 C PRO A 55 -3.148 8.956 2.338 1.00 0.00 C ATOM 847 O PRO A 55 -3.329 8.839 1.125 1.00 0.00 O ATOM 848 CB PRO A 55 -3.081 11.464 2.280 1.00 0.00 C ATOM 849 CG PRO A 55 -2.162 11.797 1.155 1.00 0.00 C ATOM 850 CD PRO A 55 -0.790 11.373 1.602 1.00 0.00 C ATOM 0 HA PRO A 55 -2.632 10.136 3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.095 11.286 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.136 12.279 3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.455 11.274 0.244 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.188 12.864 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.183 11.028 0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.248 12.195 2.071 1.00 0.00 H new ATOM 858 N ALA A 56 -3.509 8.026 3.216 1.00 0.00 N ATOM 859 CA ALA A 56 -4.156 6.790 2.798 1.00 0.00 C ATOM 860 C ALA A 56 -5.369 7.075 1.918 1.00 0.00 C ATOM 861 O ALA A 56 -5.594 6.397 0.915 1.00 0.00 O ATOM 862 CB ALA A 56 -4.565 5.971 4.013 1.00 0.00 C ATOM 0 H ALA A 56 -3.364 8.106 4.222 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.440 6.216 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.047 5.050 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.681 5.728 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.260 6.548 4.623 1.00 0.00 H new ATOM 868 N LYS A 57 -6.148 8.080 2.298 1.00 0.00 N ATOM 869 CA LYS A 57 -7.338 8.456 1.544 1.00 0.00 C ATOM 870 C LYS A 57 -7.042 8.499 0.049 1.00 0.00 C ATOM 871 O LYS A 57 -7.846 8.051 -0.767 1.00 0.00 O ATOM 872 CB LYS A 57 -7.855 9.817 2.013 1.00 0.00 C ATOM 873 CG LYS A 57 -6.819 10.925 1.926 1.00 0.00 C ATOM 874 CD LYS A 57 -7.296 12.192 2.618 1.00 0.00 C ATOM 875 CE LYS A 57 -8.173 13.032 1.703 1.00 0.00 C ATOM 876 NZ LYS A 57 -9.073 13.934 2.472 1.00 0.00 N ATOM 0 H LYS A 57 -5.977 8.651 3.126 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.105 7.703 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.722 10.094 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.196 9.731 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.887 10.590 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.603 11.140 0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.854 11.929 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.435 12.779 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.543 13.626 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.771 12.376 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.654 14.489 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.692 13.366 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.502 14.578 3.057 1.00 0.00 H new ATOM 890 N PHE A 58 -5.882 9.045 -0.305 1.00 0.00 N ATOM 891 CA PHE A 58 -5.480 9.146 -1.703 1.00 0.00 C ATOM 892 C PHE A 58 -5.416 7.767 -2.352 1.00 0.00 C ATOM 893 O PHE A 58 -5.698 7.614 -3.541 1.00 0.00 O ATOM 894 CB PHE A 58 -4.120 9.839 -1.815 1.00 0.00 C ATOM 895 CG PHE A 58 -4.217 11.333 -1.938 1.00 0.00 C ATOM 896 CD1 PHE A 58 -4.590 12.108 -0.852 1.00 0.00 C ATOM 897 CD2 PHE A 58 -3.935 11.962 -3.140 1.00 0.00 C ATOM 898 CE1 PHE A 58 -4.680 13.482 -0.963 1.00 0.00 C ATOM 899 CE2 PHE A 58 -4.023 13.336 -3.257 1.00 0.00 C ATOM 900 CZ PHE A 58 -4.395 14.098 -2.167 1.00 0.00 C ATOM 0 H PHE A 58 -5.205 9.424 0.357 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.228 9.740 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.522 9.593 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.590 9.445 -2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.813 11.633 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.643 11.371 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.973 14.075 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.801 13.814 -4.200 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.463 15.172 -2.255 1.00 0.00 H new ATOM 910 N VAL A 59 -5.044 6.764 -1.563 1.00 0.00 N ATOM 911 CA VAL A 59 -4.942 5.397 -2.060 1.00 0.00 C ATOM 912 C VAL A 59 -5.984 4.497 -1.405 1.00 0.00 C ATOM 913 O VAL A 59 -6.784 4.950 -0.587 1.00 0.00 O ATOM 914 CB VAL A 59 -3.540 4.810 -1.807 1.00 0.00 C ATOM 915 CG1 VAL A 59 -2.466 5.753 -2.326 1.00 0.00 C ATOM 916 CG2 VAL A 59 -3.343 4.526 -0.325 1.00 0.00 C ATOM 0 H VAL A 59 -4.808 6.873 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.122 5.436 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.454 3.868 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.482 5.322 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.599 5.902 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.546 6.712 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.348 4.112 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.447 5.452 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.093 3.810 0.011 1.00 0.00 H new ATOM 926 N GLU A 60 -5.967 3.219 -1.772 1.00 0.00 N ATOM 927 CA GLU A 60 -6.912 2.254 -1.221 1.00 0.00 C ATOM 928 C GLU A 60 -6.204 0.960 -0.834 1.00 0.00 C ATOM 929 O GLU A 60 -5.361 0.455 -1.576 1.00 0.00 O ATOM 930 CB GLU A 60 -8.023 1.959 -2.230 1.00 0.00 C ATOM 931 CG GLU A 60 -9.182 1.170 -1.648 1.00 0.00 C ATOM 932 CD GLU A 60 -10.005 1.983 -0.667 1.00 0.00 C ATOM 933 OE1 GLU A 60 -9.512 2.240 0.451 1.00 0.00 O ATOM 934 OE2 GLU A 60 -11.143 2.360 -1.018 1.00 0.00 O ATOM 0 H GLU A 60 -5.310 2.828 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.353 2.689 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.400 2.901 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.602 1.404 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.825 0.825 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.797 0.282 -1.146 1.00 0.00 H new ATOM 941 N VAL A 61 -6.551 0.428 0.334 1.00 0.00 N ATOM 942 CA VAL A 61 -5.950 -0.809 0.820 1.00 0.00 C ATOM 943 C VAL A 61 -6.371 -1.998 -0.035 1.00 0.00 C ATOM 944 O VAL A 61 -7.401 -1.957 -0.710 1.00 0.00 O ATOM 945 CB VAL A 61 -6.335 -1.081 2.286 1.00 0.00 C ATOM 946 CG1 VAL A 61 -5.715 -2.384 2.768 1.00 0.00 C ATOM 947 CG2 VAL A 61 -5.913 0.081 3.173 1.00 0.00 C ATOM 0 H VAL A 61 -7.245 0.834 0.961 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.869 -0.684 0.754 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.419 -1.178 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.998 -2.560 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.073 -3.208 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.629 -2.320 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.193 -0.129 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.833 0.213 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.410 0.992 2.840 1.00 0.00 H new ATOM 957 N LEU A 62 -5.570 -3.057 -0.002 1.00 0.00 N ATOM 958 CA LEU A 62 -5.860 -4.260 -0.775 1.00 0.00 C ATOM 959 C LEU A 62 -5.499 -5.513 0.016 1.00 0.00 C ATOM 960 O LEU A 62 -4.373 -5.656 0.496 1.00 0.00 O ATOM 961 CB LEU A 62 -5.091 -4.238 -2.097 1.00 0.00 C ATOM 962 CG LEU A 62 -4.812 -2.856 -2.689 1.00 0.00 C ATOM 963 CD1 LEU A 62 -3.572 -2.893 -3.568 1.00 0.00 C ATOM 964 CD2 LEU A 62 -6.015 -2.362 -3.479 1.00 0.00 C ATOM 0 H LEU A 62 -4.715 -3.107 0.552 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.929 -4.280 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.138 -4.746 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.651 -4.819 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.630 -2.160 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.389 -1.901 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.713 -3.203 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.724 -3.602 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.799 -1.377 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.228 -3.058 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.881 -2.296 -2.820 1.00 0.00 H new ATOM 976 N ASP A 63 -6.460 -6.421 0.147 1.00 0.00 N ATOM 977 CA ASP A 63 -6.242 -7.666 0.876 1.00 0.00 C ATOM 978 C ASP A 63 -5.823 -8.784 -0.071 1.00 0.00 C ATOM 979 O ASP A 63 -6.150 -9.951 0.147 1.00 0.00 O ATOM 980 CB ASP A 63 -7.511 -8.068 1.629 1.00 0.00 C ATOM 981 CG ASP A 63 -7.989 -6.986 2.578 1.00 0.00 C ATOM 982 OD1 ASP A 63 -7.856 -5.794 2.232 1.00 0.00 O ATOM 983 OD2 ASP A 63 -8.494 -7.331 3.667 1.00 0.00 O ATOM 0 H ASP A 63 -7.397 -6.319 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.438 -7.502 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.300 -8.292 0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.322 -8.983 2.191 1.00 0.00 H new ATOM 988 N GLU A 64 -5.099 -8.422 -1.126 1.00 0.00 N ATOM 989 CA GLU A 64 -4.637 -9.395 -2.107 1.00 0.00 C ATOM 990 C GLU A 64 -5.733 -10.408 -2.428 1.00 0.00 C ATOM 991 O GLU A 64 -5.470 -11.602 -2.564 1.00 0.00 O ATOM 992 CB GLU A 64 -3.392 -10.121 -1.593 1.00 0.00 C ATOM 993 CG GLU A 64 -2.209 -9.201 -1.350 1.00 0.00 C ATOM 994 CD GLU A 64 -0.877 -9.908 -1.509 1.00 0.00 C ATOM 995 OE1 GLU A 64 -0.600 -10.836 -0.719 1.00 0.00 O ATOM 996 OE2 GLU A 64 -0.112 -9.534 -2.422 1.00 0.00 O ATOM 0 H GLU A 64 -4.820 -7.461 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.384 -8.857 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.639 -10.635 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.104 -10.886 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.256 -8.363 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.278 -8.785 -0.345 1.00 0.00 H new ATOM 1003 N ARG A 65 -6.964 -9.920 -2.546 1.00 0.00 N ATOM 1004 CA ARG A 65 -8.102 -10.781 -2.847 1.00 0.00 C ATOM 1005 C ARG A 65 -7.990 -12.109 -2.105 1.00 0.00 C ATOM 1006 O ARG A 65 -8.127 -13.177 -2.699 1.00 0.00 O ATOM 1007 CB ARG A 65 -8.191 -11.034 -4.354 1.00 0.00 C ATOM 1008 CG ARG A 65 -8.710 -9.842 -5.142 1.00 0.00 C ATOM 1009 CD ARG A 65 -8.858 -10.171 -6.618 1.00 0.00 C ATOM 1010 NE ARG A 65 -9.449 -9.067 -7.371 1.00 0.00 N ATOM 1011 CZ ARG A 65 -9.607 -9.078 -8.689 1.00 0.00 C ATOM 1012 NH1 ARG A 65 -9.220 -10.129 -9.398 1.00 0.00 N ATOM 1013 NH2 ARG A 65 -10.154 -8.034 -9.301 1.00 0.00 N ATOM 0 H ARG A 65 -7.199 -8.933 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.008 -10.274 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.203 -11.304 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.843 -11.889 -4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.674 -9.530 -4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.027 -9.001 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.880 -10.411 -7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.479 -11.059 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.757 -8.243 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.799 -10.932 -8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.343 -10.134 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.453 -7.224 -8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.275 -8.043 -10.314 1.00 0.00 H new ATOM 1027 N SER A 66 -7.741 -12.033 -0.801 1.00 0.00 N ATOM 1028 CA SER A 66 -7.607 -13.227 0.024 1.00 0.00 C ATOM 1029 C SER A 66 -8.653 -13.242 1.134 1.00 0.00 C ATOM 1030 O SER A 66 -8.364 -12.894 2.280 1.00 0.00 O ATOM 1031 CB SER A 66 -6.203 -13.301 0.628 1.00 0.00 C ATOM 1032 OG SER A 66 -5.962 -14.573 1.205 1.00 0.00 O ATOM 0 H SER A 66 -7.628 -11.156 -0.293 1.00 0.00 H new ATOM 0 HA SER A 66 -7.767 -14.097 -0.612 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.460 -13.102 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.089 -12.527 1.387 1.00 0.00 H new ATOM 0 HG SER A 66 -5.058 -14.595 1.583 1.00 0.00 H new ATOM 1038 N LYS A 67 -9.870 -13.644 0.787 1.00 0.00 N ATOM 1039 CA LYS A 67 -10.961 -13.705 1.753 1.00 0.00 C ATOM 1040 C LYS A 67 -12.179 -14.403 1.155 1.00 0.00 C ATOM 1041 O LYS A 67 -12.171 -14.791 -0.013 1.00 0.00 O ATOM 1042 CB LYS A 67 -11.342 -12.297 2.213 1.00 0.00 C ATOM 1043 CG LYS A 67 -12.142 -11.516 1.184 1.00 0.00 C ATOM 1044 CD LYS A 67 -11.243 -10.922 0.113 1.00 0.00 C ATOM 1045 CE LYS A 67 -10.680 -9.576 0.541 1.00 0.00 C ATOM 1046 NZ LYS A 67 -11.653 -8.471 0.317 1.00 0.00 N ATOM 0 H LYS A 67 -10.127 -13.933 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.619 -14.281 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.922 -12.369 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.434 -11.743 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.878 -12.172 0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.694 -10.718 1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.424 -11.609 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.807 -10.804 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.411 -9.614 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.765 -9.372 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.231 -7.570 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.891 -8.418 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.517 -8.652 0.867 1.00 0.00 H new ATOM 1060 N GLU A 68 -13.223 -14.558 1.963 1.00 0.00 N ATOM 1061 CA GLU A 68 -14.447 -15.208 1.512 1.00 0.00 C ATOM 1062 C GLU A 68 -15.633 -14.250 1.590 1.00 0.00 C ATOM 1063 O GLU A 68 -15.789 -13.518 2.567 1.00 0.00 O ATOM 1064 CB GLU A 68 -14.729 -16.455 2.353 1.00 0.00 C ATOM 1065 CG GLU A 68 -15.766 -17.381 1.741 1.00 0.00 C ATOM 1066 CD GLU A 68 -15.160 -18.374 0.769 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -14.709 -19.446 1.222 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -15.137 -18.079 -0.444 1.00 0.00 O ATOM 0 H GLU A 68 -13.245 -14.242 2.933 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.308 -15.504 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.799 -17.007 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.068 -16.147 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -16.278 -17.923 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.519 -16.786 1.224 1.00 0.00 H new ATOM 1075 N TYR A 69 -16.464 -14.262 0.554 1.00 0.00 N ATOM 1076 CA TYR A 69 -17.634 -13.392 0.504 1.00 0.00 C ATOM 1077 C TYR A 69 -18.876 -14.120 1.007 1.00 0.00 C ATOM 1078 O TYR A 69 -18.876 -15.342 1.156 1.00 0.00 O ATOM 1079 CB TYR A 69 -17.865 -12.896 -0.925 1.00 0.00 C ATOM 1080 CG TYR A 69 -16.824 -11.905 -1.396 1.00 0.00 C ATOM 1081 CD1 TYR A 69 -15.482 -12.258 -1.472 1.00 0.00 C ATOM 1082 CD2 TYR A 69 -17.183 -10.614 -1.766 1.00 0.00 C ATOM 1083 CE1 TYR A 69 -14.529 -11.356 -1.902 1.00 0.00 C ATOM 1084 CE2 TYR A 69 -16.237 -9.705 -2.198 1.00 0.00 C ATOM 1085 CZ TYR A 69 -14.911 -10.082 -2.264 1.00 0.00 C ATOM 1086 OH TYR A 69 -13.965 -9.179 -2.692 1.00 0.00 O ATOM 0 H TYR A 69 -16.350 -14.864 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 69 -17.448 -12.537 1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.873 -13.751 -1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.850 -12.433 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.179 -13.255 -1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.220 -10.317 -1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.490 -11.647 -1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.533 -8.706 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 69 -14.400 -8.328 -2.910 1.00 0.00 H new ATOM 1096 N SER A 70 -19.935 -13.360 1.268 1.00 0.00 N ATOM 1097 CA SER A 70 -21.184 -13.932 1.757 1.00 0.00 C ATOM 1098 C SER A 70 -22.377 -13.370 0.989 1.00 0.00 C ATOM 1099 O SER A 70 -23.369 -14.065 0.766 1.00 0.00 O ATOM 1100 CB SER A 70 -21.346 -13.649 3.253 1.00 0.00 C ATOM 1101 OG SER A 70 -20.421 -14.400 4.017 1.00 0.00 O ATOM 0 H SER A 70 -19.953 -12.347 1.149 1.00 0.00 H new ATOM 0 HA SER A 70 -21.149 -15.010 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 70 -21.201 -12.586 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 70 -22.362 -13.892 3.564 1.00 0.00 H new ATOM 0 HG SER A 70 -20.544 -14.200 4.968 1.00 0.00 H new ATOM 1107 N ILE A 71 -22.271 -12.107 0.588 1.00 0.00 N ATOM 1108 CA ILE A 71 -23.340 -11.452 -0.156 1.00 0.00 C ATOM 1109 C ILE A 71 -22.780 -10.614 -1.300 1.00 0.00 C ATOM 1110 O ILE A 71 -21.668 -10.093 -1.215 1.00 0.00 O ATOM 1111 CB ILE A 71 -24.191 -10.550 0.757 1.00 0.00 C ATOM 1112 CG1 ILE A 71 -23.325 -9.446 1.370 1.00 0.00 C ATOM 1113 CG2 ILE A 71 -24.856 -11.376 1.848 1.00 0.00 C ATOM 1114 CD1 ILE A 71 -24.114 -8.235 1.812 1.00 0.00 C ATOM 0 H ILE A 71 -21.457 -11.518 0.766 1.00 0.00 H new ATOM 0 HA ILE A 71 -23.971 -12.242 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 71 -24.971 -10.083 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -22.787 -9.851 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -22.576 -9.136 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -25.454 -10.724 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -25.500 -12.129 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -24.091 -11.868 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.436 -7.494 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -24.631 -7.805 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -24.844 -8.532 2.565 1.00 0.00 H new ATOM 1126 N ALA A 72 -23.557 -10.491 -2.371 1.00 0.00 N ATOM 1127 CA ALA A 72 -23.140 -9.712 -3.532 1.00 0.00 C ATOM 1128 C ALA A 72 -24.081 -8.535 -3.770 1.00 0.00 C ATOM 1129 O ALA A 72 -25.241 -8.562 -3.359 1.00 0.00 O ATOM 1130 CB ALA A 72 -23.076 -10.599 -4.766 1.00 0.00 C ATOM 0 H ALA A 72 -24.478 -10.920 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 72 -22.145 -9.313 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -22.764 -10.005 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -22.358 -11.402 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -24.060 -11.026 -4.959 1.00 0.00 H new ATOM 1136 N SER A 73 -23.572 -7.504 -4.438 1.00 0.00 N ATOM 1137 CA SER A 73 -24.366 -6.315 -4.728 1.00 0.00 C ATOM 1138 C SER A 73 -25.484 -6.636 -5.715 1.00 0.00 C ATOM 1139 O SER A 73 -25.530 -7.726 -6.286 1.00 0.00 O ATOM 1140 CB SER A 73 -23.476 -5.207 -5.291 1.00 0.00 C ATOM 1141 OG SER A 73 -22.947 -5.570 -6.556 1.00 0.00 O ATOM 0 H SER A 73 -22.615 -7.468 -4.788 1.00 0.00 H new ATOM 0 HA SER A 73 -24.815 -5.972 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 73 -24.052 -4.286 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 73 -22.660 -5.004 -4.597 1.00 0.00 H new ATOM 0 HG SER A 73 -22.383 -4.844 -6.895 1.00 0.00 H new ATOM 1147 N GLY A 74 -26.387 -5.679 -5.909 1.00 0.00 N ATOM 1148 CA GLY A 74 -27.493 -5.878 -6.828 1.00 0.00 C ATOM 1149 C GLY A 74 -27.971 -4.582 -7.448 1.00 0.00 C ATOM 1150 O GLY A 74 -27.461 -4.136 -8.476 1.00 0.00 O ATOM 0 H GLY A 74 -26.372 -4.770 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -27.186 -6.564 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -28.320 -6.351 -6.299 1.00 0.00 H new ATOM 1154 N PRO A 75 -28.975 -3.953 -6.819 1.00 0.00 N ATOM 1155 CA PRO A 75 -29.545 -2.692 -7.300 1.00 0.00 C ATOM 1156 C PRO A 75 -28.581 -1.521 -7.138 1.00 0.00 C ATOM 1157 O PRO A 75 -28.776 -0.457 -7.726 1.00 0.00 O ATOM 1158 CB PRO A 75 -30.776 -2.497 -6.412 1.00 0.00 C ATOM 1159 CG PRO A 75 -30.467 -3.252 -5.164 1.00 0.00 C ATOM 1160 CD PRO A 75 -29.631 -4.427 -5.588 1.00 0.00 C ATOM 0 HA PRO A 75 -29.772 -2.728 -8.365 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -30.950 -1.441 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -31.676 -2.879 -6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -29.928 -2.626 -4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -31.381 -3.581 -4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -28.903 -4.699 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -30.243 -5.310 -5.773 1.00 0.00 H new ATOM 1168 N SER A 76 -27.539 -1.725 -6.338 1.00 0.00 N ATOM 1169 CA SER A 76 -26.548 -0.685 -6.095 1.00 0.00 C ATOM 1170 C SER A 76 -27.162 0.489 -5.339 1.00 0.00 C ATOM 1171 O SER A 76 -26.844 1.648 -5.605 1.00 0.00 O ATOM 1172 CB SER A 76 -25.953 -0.198 -7.418 1.00 0.00 C ATOM 1173 OG SER A 76 -26.718 0.866 -7.960 1.00 0.00 O ATOM 0 H SER A 76 -27.360 -2.601 -5.848 1.00 0.00 H new ATOM 0 HA SER A 76 -25.754 -1.113 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 76 -24.926 0.132 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 76 -25.916 -1.023 -8.129 1.00 0.00 H new ATOM 0 HG SER A 76 -27.573 0.519 -8.290 1.00 0.00 H new ATOM 1179 N SER A 77 -28.046 0.179 -4.396 1.00 0.00 N ATOM 1180 CA SER A 77 -28.711 1.207 -3.602 1.00 0.00 C ATOM 1181 C SER A 77 -28.368 1.058 -2.123 1.00 0.00 C ATOM 1182 O SER A 77 -28.667 0.037 -1.505 1.00 0.00 O ATOM 1183 CB SER A 77 -30.225 1.130 -3.797 1.00 0.00 C ATOM 1184 OG SER A 77 -30.895 2.041 -2.942 1.00 0.00 O ATOM 0 H SER A 77 -28.319 -0.776 -4.163 1.00 0.00 H new ATOM 0 HA SER A 77 -28.357 2.180 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 77 -30.473 1.351 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 77 -30.570 0.116 -3.595 1.00 0.00 H new ATOM 0 HG SER A 77 -31.862 1.974 -3.086 1.00 0.00 H new ATOM 1190 N GLY A 78 -27.737 2.084 -1.560 1.00 0.00 N ATOM 1191 CA GLY A 78 -27.363 2.048 -0.160 1.00 0.00 C ATOM 1192 C GLY A 78 -26.239 1.070 0.117 1.00 0.00 C ATOM 1193 O GLY A 78 -26.349 0.222 1.001 1.00 0.00 O ATOM 0 H GLY A 78 -27.478 2.940 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -27.058 3.045 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -28.233 1.775 0.438 1.00 0.00 H new TER 1197 GLY A 78