USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 SER OG : rot 30:sc= 0.417 USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= -0.513 (180deg=-1.2!) USER MOD Single : A 16 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.021) USER MOD Single : A 18 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.018) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0.967 (180deg=0.967) USER MOD Single : A 80 SER OG : rot 180:sc= -0.411 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 87 SER OG : rot 76:sc= 1.18 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 100 THR OG1 : rot 108:sc= 1.3 USER MOD Single : A 102 LYS NZ :NH3+ -154:sc= 0.831 (180deg=-0.443!) USER MOD Single : A 103 LYS NZ :NH3+ -135:sc= -0.526 (180deg=-1.74!) USER MOD Single : A 108 TYR OH : rot 157:sc= 1.2 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 117 THR OG1 : rot 139:sc= -1.98! USER MOD Single : A 121 HIS : no HD1:sc= -0.0915 K(o=-0.092,f=-0.61) USER MOD Single : A 130 LYS NZ :NH3+ 134:sc= 2.41 (180deg=1.96) USER MOD Single : A 132 MET CE :methyl -141:sc= -0.73 (180deg=-4.66!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.67) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -118:sc= 0 (180deg=-0.239) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -39.545 15.651-143.248 1.00 17.93 N ATOM 109 CA SER A 8 -38.347 15.764-142.423 1.00 18.07 C ATOM 110 C SER A 8 -37.674 14.401-142.258 1.00 17.91 C ATOM 111 O SER A 8 -37.340 13.987-141.148 1.00 17.61 O ATOM 112 CB SER A 8 -38.700 16.362-141.059 1.00 18.00 C ATOM 113 OG SER A 8 -39.657 17.402-141.192 1.00 17.96 O ATOM 0 HA SER A 8 -37.643 16.430-142.922 1.00 18.07 H new ATOM 0 HB2 SER A 8 -39.093 15.582-140.407 1.00 18.00 H new ATOM 0 HB3 SER A 8 -37.799 16.750-140.584 1.00 18.00 H new ATOM 0 HG SER A 8 -40.228 17.224-141.969 1.00 17.96 H new ATOM 119 N LEU A 9 -37.470 13.718-143.384 1.00 18.20 N ATOM 120 CA LEU A 9 -36.963 12.349-143.387 1.00 18.26 C ATOM 121 C LEU A 9 -35.607 12.252-142.697 1.00 18.43 C ATOM 122 O LEU A 9 -35.374 11.346-141.898 1.00 18.25 O ATOM 123 CB LEU A 9 -36.853 11.831-144.822 1.00 18.77 C ATOM 124 CG LEU A 9 -38.119 11.981-145.665 1.00 18.82 C ATOM 125 CD1 LEU A 9 -37.854 12.865-146.873 1.00 19.04 C ATOM 126 CD2 LEU A 9 -38.629 10.618-146.102 1.00 18.92 C ATOM 0 H LEU A 9 -37.651 14.097-144.314 1.00 18.20 H new ATOM 0 HA LEU A 9 -37.669 11.733-142.831 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -36.039 12.358-145.320 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -36.579 10.777-144.791 1.00 18.77 H new ATOM 0 HG LEU A 9 -38.886 12.457-145.054 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -38.767 12.960-147.461 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -37.533 13.852-146.539 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -37.072 12.418-147.487 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -39.531 10.742-146.701 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -37.865 10.117-146.696 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -38.858 10.016-145.223 1.00 18.92 H new ATOM 138 N ASP A 10 -34.727 13.197-143.002 1.00 18.85 N ATOM 139 CA ASP A 10 -33.386 13.213-142.424 1.00 19.17 C ATOM 140 C ASP A 10 -33.461 13.403-140.911 1.00 18.74 C ATOM 141 O ASP A 10 -32.758 12.731-140.154 1.00 18.78 O ATOM 142 CB ASP A 10 -32.546 14.322-143.071 1.00 19.78 C ATOM 143 CG ASP A 10 -31.362 14.756-142.224 1.00 19.90 C ATOM 144 OD1 ASP A 10 -30.420 13.952-142.063 1.00 19.72 O ATOM 145 OD2 ASP A 10 -31.376 15.888-141.698 1.00 20.27 O ATOM 0 H ASP A 10 -34.916 13.964-143.647 1.00 18.85 H new ATOM 0 HA ASP A 10 -32.905 12.255-142.623 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -32.183 13.975-144.038 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -33.183 15.186-143.261 1.00 19.78 H new ATOM 150 N ASP A 11 -34.345 14.297-140.481 1.00 18.38 N ATOM 151 CA ASP A 11 -34.543 14.568-139.060 1.00 18.04 C ATOM 152 C ASP A 11 -35.072 13.328-138.346 1.00 17.56 C ATOM 153 O ASP A 11 -34.652 13.019-137.229 1.00 17.42 O ATOM 154 CB ASP A 11 -35.508 15.738-138.865 1.00 17.93 C ATOM 155 CG ASP A 11 -35.818 15.999-137.403 1.00 17.97 C ATOM 156 OD1 ASP A 11 -34.869 16.121-136.596 1.00 18.05 O ATOM 157 OD2 ASP A 11 -37.013 16.099-137.053 1.00 17.99 O ATOM 0 H ASP A 11 -34.939 14.849-141.099 1.00 18.38 H new ATOM 0 HA ASP A 11 -33.579 14.835-138.628 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -35.078 16.637-139.308 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -36.436 15.532-139.399 1.00 17.93 H new ATOM 162 N ILE A 12 -35.986 12.614-139.001 1.00 17.40 N ATOM 163 CA ILE A 12 -36.519 11.367-138.460 1.00 17.12 C ATOM 164 C ILE A 12 -35.392 10.395-138.171 1.00 17.38 C ATOM 165 O ILE A 12 -35.299 9.859-137.073 1.00 17.18 O ATOM 166 CB ILE A 12 -37.499 10.679-139.424 1.00 17.14 C ATOM 167 CG1 ILE A 12 -38.712 11.568-139.694 1.00 16.99 C ATOM 168 CG2 ILE A 12 -37.942 9.334-138.855 1.00 17.02 C ATOM 169 CD1 ILE A 12 -39.491 11.163-140.925 1.00 17.20 C ATOM 0 H ILE A 12 -36.372 12.879-139.907 1.00 17.40 H new ATOM 0 HA ILE A 12 -37.052 11.632-137.547 1.00 17.12 H new ATOM 0 HB ILE A 12 -36.986 10.509-140.370 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -39.374 11.539-138.828 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -38.379 12.600-139.807 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -38.636 8.857-139.547 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -37.071 8.694-138.715 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -38.436 9.490-137.896 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -40.338 11.836-141.057 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -38.843 11.219-141.800 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -39.854 10.142-140.806 1.00 17.20 H new ATOM 181 N ILE A 13 -34.548 10.171-139.173 1.00 17.90 N ATOM 182 CA ILE A 13 -33.395 9.285-139.032 1.00 18.37 C ATOM 183 C ILE A 13 -32.600 9.629-137.778 1.00 18.32 C ATOM 184 O ILE A 13 -32.266 8.750-136.981 1.00 18.33 O ATOM 185 CB ILE A 13 -32.464 9.366-140.260 1.00 19.08 C ATOM 186 CG1 ILE A 13 -33.234 9.025-141.539 1.00 19.19 C ATOM 187 CG2 ILE A 13 -31.275 8.432-140.092 1.00 19.74 C ATOM 188 CD1 ILE A 13 -32.618 9.613-142.791 1.00 19.76 C ATOM 0 H ILE A 13 -34.641 10.593-140.097 1.00 17.90 H new ATOM 0 HA ILE A 13 -33.781 8.269-138.952 1.00 18.37 H new ATOM 0 HB ILE A 13 -32.091 10.387-140.342 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -33.286 7.941-141.644 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -34.258 9.386-141.444 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -30.630 8.503-140.968 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -30.712 8.716-139.203 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -31.630 7.407-139.985 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -33.216 9.331-143.658 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -32.591 10.699-142.707 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -31.604 9.233-142.911 1.00 19.76 H new ATOM 200 N LYS A 14 -32.325 10.913-137.599 1.00 18.34 N ATOM 201 CA LYS A 14 -31.607 11.391-136.425 1.00 18.38 C ATOM 202 C LYS A 14 -32.374 11.062-135.148 1.00 17.73 C ATOM 203 O LYS A 14 -31.855 10.392-134.257 1.00 17.76 O ATOM 204 CB LYS A 14 -31.393 12.901-136.512 1.00 18.59 C ATOM 205 CG LYS A 14 -30.759 13.359-137.813 1.00 19.27 C ATOM 206 CD LYS A 14 -29.297 12.956-137.894 1.00 19.91 C ATOM 207 CE LYS A 14 -28.399 13.938-137.150 1.00 20.52 C ATOM 208 NZ LYS A 14 -28.894 15.339-137.248 1.00 21.03 N ATOM 0 H LYS A 14 -32.590 11.647-138.256 1.00 18.34 H new ATOM 0 HA LYS A 14 -30.640 10.888-136.396 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -32.354 13.402-136.392 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -30.762 13.217-135.681 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -31.303 12.929-138.654 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -30.844 14.442-137.898 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -29.171 11.958-137.474 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -28.991 12.903-138.939 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -28.338 13.649-136.101 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -27.389 13.882-137.555 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -28.141 15.994-136.957 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -29.169 15.542-138.230 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -29.718 15.460-136.625 1.00 21.03 H new ATOM 222 N LEU A 15 -33.619 11.517-135.087 1.00 17.23 N ATOM 223 CA LEU A 15 -34.457 11.344-133.902 1.00 16.69 C ATOM 224 C LEU A 15 -34.730 9.870-133.612 1.00 16.61 C ATOM 225 O LEU A 15 -35.005 9.494-132.473 1.00 16.40 O ATOM 226 CB LEU A 15 -35.785 12.082-134.091 1.00 16.34 C ATOM 227 CG LEU A 15 -36.135 13.082-132.989 1.00 16.28 C ATOM 228 CD1 LEU A 15 -36.909 14.257-133.565 1.00 16.26 C ATOM 229 CD2 LEU A 15 -36.934 12.404-131.887 1.00 16.28 C ATOM 0 H LEU A 15 -34.076 12.014-135.851 1.00 17.23 H new ATOM 0 HA LEU A 15 -33.917 11.761-133.052 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -35.756 12.611-135.044 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -36.585 11.345-134.159 1.00 16.34 H new ATOM 0 HG LEU A 15 -35.208 13.459-132.557 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -37.150 14.960-132.767 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -36.302 14.758-134.319 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -37.830 13.897-134.022 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -37.174 13.131-131.111 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -37.857 11.999-132.303 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -36.345 11.595-131.456 1.00 16.28 H new ATOM 241 N ASN A 16 -34.665 9.043-134.644 1.00 16.87 N ATOM 242 CA ASN A 16 -34.929 7.622-134.497 1.00 17.01 C ATOM 243 C ASN A 16 -33.689 6.889-134.001 1.00 17.40 C ATOM 244 O ASN A 16 -33.739 6.165-133.010 1.00 17.38 O ATOM 245 CB ASN A 16 -35.403 7.017-135.818 1.00 17.36 C ATOM 246 CG ASN A 16 -36.915 7.011-135.927 1.00 17.34 C ATOM 247 OD1 ASN A 16 -37.548 5.955-135.990 1.00 17.60 O ATOM 248 ND2 ASN A 16 -37.506 8.196-135.939 1.00 17.15 N ATOM 0 H ASN A 16 -34.431 9.333-135.594 1.00 16.87 H new ATOM 0 HA ASN A 16 -35.721 7.505-133.757 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -34.981 7.583-136.649 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -35.029 5.997-135.905 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -38.522 8.259-136.002 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -36.945 9.046-135.885 1.00 17.15 H new ATOM 255 N ARG A 17 -32.565 7.100-134.680 1.00 17.84 N ATOM 256 CA ARG A 17 -31.329 6.402-134.341 1.00 18.36 C ATOM 257 C ARG A 17 -30.769 6.882-133.002 1.00 18.04 C ATOM 258 O ARG A 17 -30.110 6.124-132.285 1.00 18.25 O ATOM 259 CB ARG A 17 -30.290 6.572-135.457 1.00 19.06 C ATOM 260 CG ARG A 17 -29.543 7.898-135.424 1.00 19.37 C ATOM 261 CD ARG A 17 -29.072 8.314-136.811 1.00 19.91 C ATOM 262 NE ARG A 17 -28.351 7.241-137.498 1.00 20.74 N ATOM 263 CZ ARG A 17 -27.086 6.898-137.240 1.00 21.41 C ATOM 264 NH1 ARG A 17 -26.367 7.588-136.363 1.00 21.38 N ATOM 265 NH2 ARG A 17 -26.539 5.882-137.890 1.00 22.20 N ATOM 0 H ARG A 17 -32.485 7.746-135.465 1.00 17.84 H new ATOM 0 HA ARG A 17 -31.560 5.341-134.243 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -29.566 5.760-135.390 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -30.790 6.475-136.420 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -30.192 8.671-135.013 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -28.684 7.815-134.758 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -29.932 8.612-137.410 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -28.425 9.187-136.726 1.00 19.91 H new ATOM 0 HE ARG A 17 -28.847 6.721-138.222 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -26.780 8.386-135.881 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -25.402 7.320-136.171 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -27.083 5.367-138.582 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -25.574 5.614-137.698 1.00 22.20 H new ATOM 279 N ASN A 18 -31.051 8.133-132.658 1.00 17.62 N ATOM 280 CA ASN A 18 -30.557 8.714-131.416 1.00 17.37 C ATOM 281 C ASN A 18 -31.647 8.716-130.349 1.00 16.66 C ATOM 282 O ASN A 18 -31.545 9.416-129.342 1.00 16.34 O ATOM 283 CB ASN A 18 -30.052 10.139-131.656 1.00 17.47 C ATOM 284 CG ASN A 18 -29.033 10.578-130.620 1.00 17.64 C ATOM 285 OD1 ASN A 18 -29.322 11.409-129.762 1.00 17.99 O ATOM 286 ND2 ASN A 18 -27.839 10.021-130.690 1.00 17.50 N ATOM 0 H ASN A 18 -31.619 8.765-133.222 1.00 17.62 H new ATOM 0 HA ASN A 18 -29.727 8.102-131.061 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -29.605 10.200-132.648 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -30.897 10.827-131.644 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -27.117 10.277-130.017 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -27.638 9.335-131.418 1.00 17.50 H new ATOM 700 N ALA A 44 -27.101 6.442 -70.228 1.00 11.18 N ATOM 701 CA ALA A 44 -27.060 6.617 -68.773 1.00 10.95 C ATOM 702 C ALA A 44 -28.359 7.242 -68.247 1.00 11.14 C ATOM 703 O ALA A 44 -29.172 7.747 -69.024 1.00 11.37 O ATOM 704 CB ALA A 44 -25.845 7.452 -68.373 1.00 10.91 C ATOM 0 HA ALA A 44 -26.967 5.632 -68.315 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -25.828 7.574 -67.290 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -24.934 6.947 -68.696 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -25.905 8.432 -68.847 1.00 10.91 H new ATOM 710 N PRO A 45 -28.606 7.175 -66.923 1.00 11.20 N ATOM 711 CA PRO A 45 -29.764 7.838 -66.312 1.00 11.61 C ATOM 712 C PRO A 45 -29.749 9.339 -66.587 1.00 11.90 C ATOM 713 O PRO A 45 -30.674 9.886 -67.190 1.00 12.39 O ATOM 714 CB PRO A 45 -29.596 7.559 -64.813 1.00 11.62 C ATOM 715 CG PRO A 45 -28.731 6.347 -64.744 1.00 11.27 C ATOM 716 CD PRO A 45 -27.812 6.427 -65.930 1.00 11.04 C ATOM 0 HA PRO A 45 -30.711 7.473 -66.709 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -29.134 8.404 -64.303 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -30.559 7.385 -64.333 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -28.165 6.324 -63.813 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -29.331 5.437 -64.775 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -26.884 6.943 -65.686 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -27.540 5.437 -66.296 1.00 11.04 H new ATOM 724 N TYR A 46 -28.683 9.990 -66.149 1.00 11.78 N ATOM 725 CA TYR A 46 -28.469 11.400 -66.433 1.00 12.25 C ATOM 726 C TYR A 46 -26.990 11.735 -66.311 1.00 12.17 C ATOM 727 O TYR A 46 -26.402 12.347 -67.205 1.00 12.24 O ATOM 728 CB TYR A 46 -29.290 12.282 -65.492 1.00 12.71 C ATOM 729 CG TYR A 46 -29.599 13.646 -66.065 1.00 13.40 C ATOM 730 CD1 TYR A 46 -29.806 13.820 -67.426 1.00 13.96 C ATOM 731 CD2 TYR A 46 -29.692 14.761 -65.241 1.00 13.66 C ATOM 732 CE1 TYR A 46 -30.096 15.064 -67.950 1.00 14.73 C ATOM 733 CE2 TYR A 46 -29.979 16.006 -65.758 1.00 14.45 C ATOM 734 CZ TYR A 46 -30.152 16.155 -67.126 1.00 14.98 C ATOM 735 OH TYR A 46 -30.474 17.395 -67.626 1.00 15.86 O ATOM 0 H TYR A 46 -27.946 9.559 -65.590 1.00 11.78 H new ATOM 0 HA TYR A 46 -28.799 11.598 -67.453 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -30.225 11.775 -65.255 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -28.747 12.404 -64.555 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -29.739 12.968 -68.086 1.00 13.96 H new ATOM 0 HD2 TYR A 46 -29.537 14.650 -64.178 1.00 13.66 H new ATOM 0 HE1 TYR A 46 -30.278 15.176 -69.009 1.00 14.73 H new ATOM 0 HE2 TYR A 46 -30.069 16.860 -65.102 1.00 14.45 H new ATOM 0 HH TYR A 46 -30.468 18.052 -66.899 1.00 15.86 H new ATOM 745 N SER A 47 -26.394 11.331 -65.201 1.00 12.21 N ATOM 746 CA SER A 47 -24.968 11.516 -64.998 1.00 12.38 C ATOM 747 C SER A 47 -24.210 10.252 -65.387 1.00 11.92 C ATOM 748 O SER A 47 -23.493 10.229 -66.387 1.00 11.98 O ATOM 749 CB SER A 47 -24.687 11.880 -63.539 1.00 12.96 C ATOM 750 OG SER A 47 -25.836 12.451 -62.932 1.00 13.21 O ATOM 0 H SER A 47 -26.876 10.873 -64.427 1.00 12.21 H new ATOM 0 HA SER A 47 -24.626 12.333 -65.633 1.00 12.38 H new ATOM 0 HB2 SER A 47 -24.384 10.989 -62.989 1.00 12.96 H new ATOM 0 HB3 SER A 47 -23.856 12.583 -63.488 1.00 12.96 H new ATOM 0 HG SER A 47 -25.636 12.675 -61.999 1.00 13.21 H new ATOM 756 N ARG A 48 -24.390 9.194 -64.609 1.00 11.60 N ATOM 757 CA ARG A 48 -23.689 7.941 -64.845 1.00 11.33 C ATOM 758 C ARG A 48 -24.442 6.788 -64.199 1.00 10.91 C ATOM 759 O ARG A 48 -25.198 6.997 -63.247 1.00 10.95 O ATOM 760 CB ARG A 48 -22.270 8.015 -64.271 1.00 11.76 C ATOM 761 CG ARG A 48 -21.179 7.945 -65.326 1.00 12.38 C ATOM 762 CD ARG A 48 -19.800 8.096 -64.706 1.00 12.85 C ATOM 763 NE ARG A 48 -19.668 9.347 -63.958 1.00 12.95 N ATOM 764 CZ ARG A 48 -18.690 9.596 -63.088 1.00 13.65 C ATOM 765 NH1 ARG A 48 -17.772 8.670 -62.830 1.00 14.27 N ATOM 766 NH2 ARG A 48 -18.634 10.769 -62.470 1.00 13.88 N ATOM 0 H ARG A 48 -25.018 9.179 -63.806 1.00 11.60 H new ATOM 0 HA ARG A 48 -23.632 7.772 -65.920 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -22.162 8.944 -63.711 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -22.131 7.198 -63.563 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -21.241 6.993 -65.853 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -21.335 8.730 -66.066 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -19.608 7.254 -64.041 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -19.044 8.062 -65.491 1.00 12.85 H new ATOM 0 HE ARG A 48 -20.368 10.073 -64.112 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -17.815 7.765 -63.299 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -17.025 8.864 -62.163 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -19.340 11.480 -62.661 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -17.885 10.959 -61.804 1.00 13.88 H new ATOM 780 N PRO A 49 -24.281 5.564 -64.725 1.00 10.69 N ATOM 781 CA PRO A 49 -24.848 4.367 -64.103 1.00 10.51 C ATOM 782 C PRO A 49 -24.199 4.088 -62.749 1.00 10.52 C ATOM 783 O PRO A 49 -23.013 3.760 -62.667 1.00 10.80 O ATOM 784 CB PRO A 49 -24.528 3.249 -65.100 1.00 10.63 C ATOM 785 CG PRO A 49 -23.385 3.760 -65.907 1.00 10.68 C ATOM 786 CD PRO A 49 -23.549 5.251 -65.966 1.00 10.80 C ATOM 0 HA PRO A 49 -25.915 4.466 -63.905 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -24.264 2.325 -64.585 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -25.388 3.027 -65.732 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -22.433 3.491 -65.449 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -23.391 3.328 -66.908 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -22.586 5.760 -66.004 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -24.107 5.559 -66.850 1.00 10.80 H new ATOM 794 N LYS A 50 -24.985 4.224 -61.693 1.00 10.36 N ATOM 795 CA LYS A 50 -24.487 4.058 -60.339 1.00 10.37 C ATOM 796 C LYS A 50 -24.537 2.595 -59.928 1.00 10.32 C ATOM 797 O LYS A 50 -25.601 1.977 -59.939 1.00 10.35 O ATOM 798 CB LYS A 50 -25.309 4.900 -59.361 1.00 10.47 C ATOM 799 CG LYS A 50 -25.428 6.364 -59.758 1.00 10.65 C ATOM 800 CD LYS A 50 -26.872 6.753 -60.042 1.00 10.86 C ATOM 801 CE LYS A 50 -27.797 6.364 -58.898 1.00 11.05 C ATOM 802 NZ LYS A 50 -27.803 7.381 -57.814 1.00 11.40 N ATOM 0 H LYS A 50 -25.978 4.451 -61.750 1.00 10.36 H new ATOM 0 HA LYS A 50 -23.451 4.396 -60.313 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -26.309 4.473 -59.280 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -24.855 4.837 -58.372 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -25.032 6.991 -58.959 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -24.819 6.552 -60.642 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -26.933 7.828 -60.209 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -27.205 6.269 -60.960 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -28.810 6.235 -59.279 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -27.485 5.402 -58.491 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -28.446 7.076 -57.055 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -26.842 7.486 -57.432 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -28.126 8.293 -58.195 1.00 11.40 H new ATOM 816 N PRO A 51 -23.379 2.021 -59.573 1.00 10.48 N ATOM 817 CA PRO A 51 -23.293 0.640 -59.126 1.00 10.66 C ATOM 818 C PRO A 51 -23.587 0.497 -57.636 1.00 10.49 C ATOM 819 O PRO A 51 -23.817 -0.613 -57.147 1.00 10.76 O ATOM 820 CB PRO A 51 -21.841 0.279 -59.427 1.00 11.11 C ATOM 821 CG PRO A 51 -21.090 1.562 -59.275 1.00 11.13 C ATOM 822 CD PRO A 51 -22.057 2.676 -59.592 1.00 10.75 C ATOM 0 HA PRO A 51 -24.021 -0.005 -59.618 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -21.471 -0.480 -58.738 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -21.734 -0.125 -60.434 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -20.702 1.664 -58.262 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -20.234 1.590 -59.949 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -21.998 3.477 -58.855 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -21.847 3.122 -60.564 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.377 6.455 -8.339 1.00 10.27 N ATOM 1137 CA GLY A 74 -3.973 6.216 -6.972 1.00 10.44 C ATOM 1138 C GLY A 74 -2.613 6.808 -6.676 1.00 10.53 C ATOM 1139 O GLY A 74 -2.011 7.450 -7.537 1.00 10.94 O ATOM 0 HA2 GLY A 74 -4.711 6.645 -6.295 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -3.951 5.143 -6.782 1.00 10.44 H new ATOM 1143 N ALA A 75 -2.130 6.591 -5.466 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.827 7.088 -5.063 1.00 10.45 C ATOM 1145 C ALA A 75 0.177 5.945 -5.043 1.00 10.02 C ATOM 1146 O ALA A 75 0.108 5.066 -4.184 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.921 7.753 -3.697 1.00 10.74 C ATOM 0 H ALA A 75 -2.624 6.071 -4.741 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.487 7.834 -5.782 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.062 8.122 -3.404 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -1.622 8.586 -3.745 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -1.270 7.027 -2.962 1.00 10.74 H new ATOM 1153 N LYS A 76 1.098 5.945 -5.997 1.00 10.22 N ATOM 1154 CA LYS A 76 2.016 4.825 -6.159 1.00 9.99 C ATOM 1155 C LYS A 76 3.389 5.121 -5.564 1.00 10.09 C ATOM 1156 O LYS A 76 4.072 6.069 -5.954 1.00 10.63 O ATOM 1157 CB LYS A 76 2.146 4.481 -7.644 1.00 10.41 C ATOM 1158 CG LYS A 76 3.044 3.291 -7.930 1.00 10.50 C ATOM 1159 CD LYS A 76 2.869 2.798 -9.357 1.00 11.20 C ATOM 1160 CE LYS A 76 4.187 2.338 -9.958 1.00 11.56 C ATOM 1161 NZ LYS A 76 4.461 0.910 -9.657 1.00 11.62 N ATOM 0 H LYS A 76 1.229 6.703 -6.667 1.00 10.22 H new ATOM 0 HA LYS A 76 1.606 3.973 -5.617 1.00 9.99 H new ATOM 0 HB2 LYS A 76 1.154 4.278 -8.047 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.534 5.351 -8.174 1.00 10.41 H new ATOM 0 HG2 LYS A 76 4.085 3.570 -7.764 1.00 10.50 H new ATOM 0 HG3 LYS A 76 2.815 2.484 -7.234 1.00 10.50 H new ATOM 0 HD2 LYS A 76 2.155 1.975 -9.373 1.00 11.20 H new ATOM 0 HD3 LYS A 76 2.449 3.596 -9.969 1.00 11.20 H new ATOM 0 HE2 LYS A 76 4.165 2.484 -11.038 1.00 11.56 H new ATOM 0 HE3 LYS A 76 4.998 2.954 -9.570 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 5.368 0.633 -10.083 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 4.507 0.775 -8.627 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 3.700 0.320 -10.050 1.00 11.62 H new ATOM 1175 N LEU A 77 3.757 4.301 -4.597 1.00 9.69 N ATOM 1176 CA LEU A 77 5.030 4.397 -3.910 1.00 9.77 C ATOM 1177 C LEU A 77 5.976 3.310 -4.404 1.00 9.68 C ATOM 1178 O LEU A 77 5.631 2.132 -4.412 1.00 9.42 O ATOM 1179 CB LEU A 77 4.757 4.243 -2.401 1.00 9.58 C ATOM 1180 CG LEU A 77 5.948 4.063 -1.431 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.599 2.691 -1.547 1.00 9.26 C ATOM 1182 CD2 LEU A 77 6.978 5.164 -1.616 1.00 10.17 C ATOM 0 H LEU A 77 3.170 3.537 -4.262 1.00 9.69 H new ATOM 0 HA LEU A 77 5.504 5.358 -4.108 1.00 9.77 H new ATOM 0 HB2 LEU A 77 4.201 5.123 -2.077 1.00 9.58 H new ATOM 0 HB3 LEU A 77 4.098 3.384 -2.273 1.00 9.58 H new ATOM 0 HG LEU A 77 5.538 4.136 -0.423 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.428 2.621 -0.843 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.864 1.919 -1.319 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.971 2.549 -2.562 1.00 9.26 H new ATOM 0 HD21 LEU A 77 7.803 5.011 -0.921 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.356 5.141 -2.638 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.515 6.132 -1.422 1.00 10.17 H new ATOM 1194 N LEU A 78 7.155 3.718 -4.830 1.00 10.10 N ATOM 1195 CA LEU A 78 8.230 2.782 -5.091 1.00 10.21 C ATOM 1196 C LEU A 78 9.220 2.820 -3.936 1.00 10.19 C ATOM 1197 O LEU A 78 9.316 3.819 -3.228 1.00 10.62 O ATOM 1198 CB LEU A 78 8.941 3.120 -6.405 1.00 10.97 C ATOM 1199 CG LEU A 78 8.066 3.784 -7.471 1.00 11.03 C ATOM 1200 CD1 LEU A 78 8.920 4.301 -8.617 1.00 11.63 C ATOM 1201 CD2 LEU A 78 7.022 2.808 -7.985 1.00 10.95 C ATOM 0 H LEU A 78 7.393 4.695 -5.003 1.00 10.10 H new ATOM 0 HA LEU A 78 7.811 1.780 -5.182 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.781 3.780 -6.185 1.00 10.97 H new ATOM 0 HB3 LEU A 78 9.357 2.202 -6.820 1.00 10.97 H new ATOM 0 HG LEU A 78 7.553 4.631 -7.015 1.00 11.03 H new ATOM 0 HD11 LEU A 78 8.280 4.770 -9.365 1.00 11.63 H new ATOM 0 HD12 LEU A 78 9.632 5.034 -8.238 1.00 11.63 H new ATOM 0 HD13 LEU A 78 9.461 3.471 -9.071 1.00 11.63 H new ATOM 0 HD21 LEU A 78 6.409 3.297 -8.742 1.00 10.95 H new ATOM 0 HD22 LEU A 78 7.518 1.942 -8.423 1.00 10.95 H new ATOM 0 HD23 LEU A 78 6.389 2.484 -7.159 1.00 10.95 H new ATOM 1213 N VAL A 79 9.954 1.740 -3.760 1.00 9.81 N ATOM 1214 CA VAL A 79 10.872 1.606 -2.636 1.00 9.81 C ATOM 1215 C VAL A 79 11.902 0.534 -2.978 1.00 10.08 C ATOM 1216 O VAL A 79 11.615 -0.346 -3.786 1.00 10.09 O ATOM 1217 CB VAL A 79 10.106 1.286 -1.317 1.00 9.37 C ATOM 1218 CG1 VAL A 79 9.058 0.228 -1.546 1.00 9.42 C ATOM 1219 CG2 VAL A 79 11.029 0.865 -0.184 1.00 9.16 C ATOM 0 H VAL A 79 9.935 0.934 -4.384 1.00 9.81 H new ATOM 0 HA VAL A 79 11.388 2.550 -2.463 1.00 9.81 H new ATOM 0 HB VAL A 79 9.623 2.214 -1.013 1.00 9.37 H new ATOM 0 HG11 VAL A 79 8.538 0.023 -0.610 1.00 9.42 H new ATOM 0 HG12 VAL A 79 8.343 0.579 -2.290 1.00 9.42 H new ATOM 0 HG13 VAL A 79 9.534 -0.685 -1.904 1.00 9.42 H new ATOM 0 HG21 VAL A 79 10.438 0.655 0.708 1.00 9.16 H new ATOM 0 HG22 VAL A 79 11.577 -0.031 -0.475 1.00 9.16 H new ATOM 0 HG23 VAL A 79 11.734 1.669 0.029 1.00 9.16 H new ATOM 1229 N SER A 80 13.104 0.627 -2.412 1.00 10.48 N ATOM 1230 CA SER A 80 14.194 -0.281 -2.762 1.00 10.87 C ATOM 1231 C SER A 80 15.272 -0.241 -1.688 1.00 10.93 C ATOM 1232 O SER A 80 15.393 0.753 -0.958 1.00 11.28 O ATOM 1233 CB SER A 80 14.815 0.063 -4.125 1.00 11.70 C ATOM 1234 OG SER A 80 13.941 0.848 -4.925 1.00 11.92 O ATOM 0 H SER A 80 13.348 1.323 -1.708 1.00 10.48 H new ATOM 0 HA SER A 80 13.772 -1.284 -2.829 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.749 0.603 -3.972 1.00 11.70 H new ATOM 0 HB3 SER A 80 15.062 -0.858 -4.654 1.00 11.70 H new ATOM 0 HG SER A 80 14.372 1.047 -5.782 1.00 11.92 H new ATOM 1240 N ASN A 81 16.049 -1.321 -1.611 1.00 10.71 N ATOM 1241 CA ASN A 81 17.118 -1.460 -0.627 1.00 10.82 C ATOM 1242 C ASN A 81 16.553 -1.423 0.785 1.00 11.07 C ATOM 1243 O ASN A 81 16.546 -0.380 1.443 1.00 11.33 O ATOM 1244 CB ASN A 81 18.189 -0.376 -0.806 1.00 10.85 C ATOM 1245 CG ASN A 81 19.535 -0.791 -0.237 1.00 11.09 C ATOM 1246 OD1 ASN A 81 19.631 -1.728 0.561 1.00 11.13 O ATOM 1247 ND2 ASN A 81 20.590 -0.104 -0.654 1.00 11.43 N ATOM 0 H ASN A 81 15.953 -2.125 -2.231 1.00 10.71 H new ATOM 0 HA ASN A 81 17.593 -2.428 -0.788 1.00 10.82 H new ATOM 0 HB2 ASN A 81 18.300 -0.151 -1.867 1.00 10.85 H new ATOM 0 HB3 ASN A 81 17.859 0.541 -0.318 1.00 10.85 H new ATOM 0 HD21 ASN A 81 21.521 -0.344 -0.314 1.00 11.43 H new ATOM 0 HD22 ASN A 81 20.470 0.664 -1.314 1.00 11.43 H new ATOM 1254 N LEU A 82 16.058 -2.571 1.231 1.00 11.17 N ATOM 1255 CA LEU A 82 15.508 -2.698 2.577 1.00 11.63 C ATOM 1256 C LEU A 82 16.550 -2.326 3.628 1.00 11.86 C ATOM 1257 O LEU A 82 17.751 -2.475 3.402 1.00 12.01 O ATOM 1258 CB LEU A 82 14.980 -4.122 2.848 1.00 12.01 C ATOM 1259 CG LEU A 82 15.683 -5.280 2.117 1.00 12.36 C ATOM 1260 CD1 LEU A 82 17.116 -5.455 2.598 1.00 12.48 C ATOM 1261 CD2 LEU A 82 14.905 -6.572 2.317 1.00 12.61 C ATOM 0 H LEU A 82 16.026 -3.429 0.680 1.00 11.17 H new ATOM 0 HA LEU A 82 14.669 -2.005 2.645 1.00 11.63 H new ATOM 0 HB2 LEU A 82 15.045 -4.309 3.920 1.00 12.01 H new ATOM 0 HB3 LEU A 82 13.923 -4.147 2.584 1.00 12.01 H new ATOM 0 HG LEU A 82 15.713 -5.036 1.055 1.00 12.36 H new ATOM 0 HD11 LEU A 82 17.582 -6.281 2.061 1.00 12.48 H new ATOM 0 HD12 LEU A 82 17.677 -4.539 2.412 1.00 12.48 H new ATOM 0 HD13 LEU A 82 17.117 -5.671 3.666 1.00 12.48 H new ATOM 0 HD21 LEU A 82 15.410 -7.385 1.796 1.00 12.61 H new ATOM 0 HD22 LEU A 82 14.849 -6.802 3.381 1.00 12.61 H new ATOM 0 HD23 LEU A 82 13.898 -6.456 1.917 1.00 12.61 H new ATOM 1273 N ASP A 83 16.077 -1.835 4.769 1.00 12.07 N ATOM 1274 CA ASP A 83 16.953 -1.487 5.888 1.00 12.45 C ATOM 1275 C ASP A 83 17.850 -2.670 6.248 1.00 12.57 C ATOM 1276 O ASP A 83 19.076 -2.566 6.222 1.00 13.12 O ATOM 1277 CB ASP A 83 16.109 -1.062 7.096 1.00 12.62 C ATOM 1278 CG ASP A 83 16.854 -1.175 8.411 1.00 13.10 C ATOM 1279 OD1 ASP A 83 17.596 -0.237 8.763 1.00 13.12 O ATOM 1280 OD2 ASP A 83 16.688 -2.200 9.103 1.00 13.59 O ATOM 0 H ASP A 83 15.086 -1.668 4.946 1.00 12.07 H new ATOM 0 HA ASP A 83 17.590 -0.653 5.595 1.00 12.45 H new ATOM 0 HB2 ASP A 83 15.781 -0.032 6.958 1.00 12.62 H new ATOM 0 HB3 ASP A 83 15.211 -1.679 7.140 1.00 12.62 H new ATOM 1285 N PHE A 84 17.228 -3.797 6.559 1.00 12.22 N ATOM 1286 CA PHE A 84 17.957 -5.030 6.808 1.00 12.46 C ATOM 1287 C PHE A 84 17.095 -6.228 6.443 1.00 12.41 C ATOM 1288 O PHE A 84 17.424 -6.989 5.536 1.00 12.73 O ATOM 1289 CB PHE A 84 18.392 -5.128 8.275 1.00 12.51 C ATOM 1290 CG PHE A 84 19.062 -6.431 8.611 1.00 12.50 C ATOM 1291 CD1 PHE A 84 20.348 -6.698 8.168 1.00 12.45 C ATOM 1292 CD2 PHE A 84 18.411 -7.380 9.379 1.00 12.69 C ATOM 1293 CE1 PHE A 84 20.970 -7.892 8.484 1.00 12.59 C ATOM 1294 CE2 PHE A 84 19.028 -8.573 9.699 1.00 12.83 C ATOM 1295 CZ PHE A 84 20.293 -8.847 9.216 1.00 12.79 C ATOM 0 H PHE A 84 16.215 -3.882 6.645 1.00 12.22 H new ATOM 0 HA PHE A 84 18.852 -5.026 6.186 1.00 12.46 H new ATOM 0 HB2 PHE A 84 19.074 -4.308 8.500 1.00 12.51 H new ATOM 0 HB3 PHE A 84 17.519 -5.001 8.915 1.00 12.51 H new ATOM 0 HD1 PHE A 84 20.870 -5.966 7.570 1.00 12.45 H new ATOM 0 HD2 PHE A 84 17.409 -7.185 9.732 1.00 12.69 H new ATOM 0 HE1 PHE A 84 21.983 -8.077 8.159 1.00 12.59 H new ATOM 0 HE2 PHE A 84 18.522 -9.292 10.327 1.00 12.83 H new ATOM 0 HZ PHE A 84 20.751 -9.806 9.410 1.00 12.79 H new ATOM 1305 N GLY A 85 15.985 -6.380 7.148 1.00 12.18 N ATOM 1306 CA GLY A 85 15.087 -7.482 6.885 1.00 12.33 C ATOM 1307 C GLY A 85 13.657 -7.023 6.724 1.00 12.00 C ATOM 1308 O GLY A 85 12.739 -7.618 7.283 1.00 12.39 O ATOM 0 H GLY A 85 15.690 -5.757 7.900 1.00 12.18 H new ATOM 0 HA2 GLY A 85 15.405 -8.000 5.980 1.00 12.33 H new ATOM 0 HA3 GLY A 85 15.147 -8.201 7.702 1.00 12.33 H new ATOM 1312 N VAL A 86 13.469 -5.954 5.965 1.00 11.43 N ATOM 1313 CA VAL A 86 12.139 -5.416 5.730 1.00 11.18 C ATOM 1314 C VAL A 86 11.437 -6.223 4.647 1.00 11.50 C ATOM 1315 O VAL A 86 11.829 -6.186 3.483 1.00 11.42 O ATOM 1316 CB VAL A 86 12.198 -3.930 5.308 1.00 10.44 C ATOM 1317 CG1 VAL A 86 10.799 -3.355 5.138 1.00 10.36 C ATOM 1318 CG2 VAL A 86 12.989 -3.118 6.324 1.00 10.15 C ATOM 0 H VAL A 86 14.220 -5.443 5.502 1.00 11.43 H new ATOM 0 HA VAL A 86 11.581 -5.485 6.664 1.00 11.18 H new ATOM 0 HB VAL A 86 12.706 -3.872 4.346 1.00 10.44 H new ATOM 0 HG11 VAL A 86 10.869 -2.309 4.841 1.00 10.36 H new ATOM 0 HG12 VAL A 86 10.266 -3.915 4.370 1.00 10.36 H new ATOM 0 HG13 VAL A 86 10.258 -3.429 6.081 1.00 10.36 H new ATOM 0 HG21 VAL A 86 13.020 -2.074 6.011 1.00 10.15 H new ATOM 0 HG22 VAL A 86 12.509 -3.190 7.300 1.00 10.15 H new ATOM 0 HG23 VAL A 86 14.005 -3.508 6.390 1.00 10.15 H new ATOM 1328 N SER A 87 10.411 -6.956 5.041 1.00 12.04 N ATOM 1329 CA SER A 87 9.675 -7.800 4.117 1.00 12.55 C ATOM 1330 C SER A 87 8.389 -7.126 3.642 1.00 12.18 C ATOM 1331 O SER A 87 8.177 -5.930 3.866 1.00 11.57 O ATOM 1332 CB SER A 87 9.349 -9.134 4.790 1.00 13.39 C ATOM 1333 OG SER A 87 10.254 -9.403 5.853 1.00 13.46 O ATOM 0 H SER A 87 10.067 -6.983 6.001 1.00 12.04 H new ATOM 0 HA SER A 87 10.302 -7.972 3.242 1.00 12.55 H new ATOM 0 HB2 SER A 87 8.329 -9.112 5.173 1.00 13.39 H new ATOM 0 HB3 SER A 87 9.397 -9.937 4.055 1.00 13.39 H new ATOM 0 HG SER A 87 10.019 -8.853 6.630 1.00 13.46 H new ATOM 1339 N ASP A 88 7.535 -7.918 3.004 1.00 12.66 N ATOM 1340 CA ASP A 88 6.279 -7.441 2.432 1.00 12.44 C ATOM 1341 C ASP A 88 5.372 -6.854 3.503 1.00 12.35 C ATOM 1342 O ASP A 88 4.907 -5.719 3.384 1.00 11.82 O ATOM 1343 CB ASP A 88 5.546 -8.587 1.724 1.00 13.21 C ATOM 1344 CG ASP A 88 6.442 -9.767 1.407 1.00 13.68 C ATOM 1345 OD1 ASP A 88 6.835 -10.495 2.341 1.00 14.23 O ATOM 1346 OD2 ASP A 88 6.761 -9.972 0.215 1.00 13.63 O ATOM 0 H ASP A 88 7.695 -8.916 2.868 1.00 12.66 H new ATOM 0 HA ASP A 88 6.522 -6.660 1.712 1.00 12.44 H new ATOM 0 HB2 ASP A 88 4.721 -8.924 2.352 1.00 13.21 H new ATOM 0 HB3 ASP A 88 5.109 -8.212 0.798 1.00 13.21 H new ATOM 1351 N ALA A 89 5.122 -7.631 4.546 1.00 13.02 N ATOM 1352 CA ALA A 89 4.267 -7.188 5.638 1.00 13.24 C ATOM 1353 C ALA A 89 4.928 -6.054 6.407 1.00 12.75 C ATOM 1354 O ALA A 89 4.253 -5.198 6.973 1.00 12.82 O ATOM 1355 CB ALA A 89 3.950 -8.347 6.569 1.00 14.29 C ATOM 0 H ALA A 89 5.499 -8.572 4.660 1.00 13.02 H new ATOM 0 HA ALA A 89 3.333 -6.819 5.215 1.00 13.24 H new ATOM 0 HB1 ALA A 89 3.310 -7.998 7.379 1.00 14.29 H new ATOM 0 HB2 ALA A 89 3.436 -9.131 6.012 1.00 14.29 H new ATOM 0 HB3 ALA A 89 4.876 -8.744 6.984 1.00 14.29 H new ATOM 1361 N ASP A 90 6.255 -6.050 6.396 1.00 12.38 N ATOM 1362 CA ASP A 90 7.026 -5.042 7.116 1.00 12.03 C ATOM 1363 C ASP A 90 6.805 -3.658 6.517 1.00 11.35 C ATOM 1364 O ASP A 90 6.306 -2.759 7.193 1.00 11.52 O ATOM 1365 CB ASP A 90 8.515 -5.388 7.101 1.00 11.82 C ATOM 1366 CG ASP A 90 8.858 -6.511 8.056 1.00 12.43 C ATOM 1367 OD1 ASP A 90 8.467 -6.429 9.240 1.00 12.76 O ATOM 1368 OD2 ASP A 90 9.524 -7.477 7.633 1.00 12.67 O ATOM 0 H ASP A 90 6.822 -6.735 5.896 1.00 12.38 H new ATOM 0 HA ASP A 90 6.679 -5.031 8.149 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.809 -5.672 6.090 1.00 11.82 H new ATOM 0 HB3 ASP A 90 9.093 -4.502 7.364 1.00 11.82 H new ATOM 1373 N ILE A 91 7.176 -3.489 5.247 1.00 10.74 N ATOM 1374 CA ILE A 91 6.975 -2.217 4.556 1.00 10.19 C ATOM 1375 C ILE A 91 5.494 -1.819 4.534 1.00 10.43 C ATOM 1376 O ILE A 91 5.160 -0.632 4.545 1.00 10.36 O ATOM 1377 CB ILE A 91 7.542 -2.256 3.112 1.00 9.70 C ATOM 1378 CG1 ILE A 91 7.583 -0.848 2.511 1.00 9.11 C ATOM 1379 CG2 ILE A 91 6.732 -3.192 2.222 1.00 9.94 C ATOM 1380 CD1 ILE A 91 8.728 -0.002 3.028 1.00 9.17 C ATOM 0 H ILE A 91 7.615 -4.214 4.679 1.00 10.74 H new ATOM 0 HA ILE A 91 7.525 -1.461 5.117 1.00 10.19 H new ATOM 0 HB ILE A 91 8.560 -2.643 3.165 1.00 9.70 H new ATOM 0 HG12 ILE A 91 7.661 -0.927 1.427 1.00 9.11 H new ATOM 0 HG13 ILE A 91 6.642 -0.342 2.727 1.00 9.11 H new ATOM 0 HG21 ILE A 91 7.156 -3.196 1.218 1.00 9.94 H new ATOM 0 HG22 ILE A 91 6.762 -4.201 2.633 1.00 9.94 H new ATOM 0 HG23 ILE A 91 5.698 -2.849 2.178 1.00 9.94 H new ATOM 0 HD11 ILE A 91 8.694 0.981 2.559 1.00 9.17 H new ATOM 0 HD12 ILE A 91 8.640 0.108 4.109 1.00 9.17 H new ATOM 0 HD13 ILE A 91 9.675 -0.486 2.788 1.00 9.17 H new ATOM 1392 N GLN A 92 4.612 -2.814 4.534 1.00 10.89 N ATOM 1393 CA GLN A 92 3.180 -2.556 4.560 1.00 11.26 C ATOM 1394 C GLN A 92 2.769 -1.969 5.907 1.00 11.84 C ATOM 1395 O GLN A 92 2.085 -0.949 5.965 1.00 11.95 O ATOM 1396 CB GLN A 92 2.398 -3.840 4.278 1.00 11.85 C ATOM 1397 CG GLN A 92 0.890 -3.653 4.300 1.00 12.25 C ATOM 1398 CD GLN A 92 0.224 -4.490 5.369 1.00 13.23 C ATOM 1399 OE1 GLN A 92 0.349 -5.714 5.380 1.00 13.70 O ATOM 1400 NE2 GLN A 92 -0.487 -3.839 6.275 1.00 13.70 N ATOM 0 H GLN A 92 4.864 -3.802 4.516 1.00 10.89 H new ATOM 0 HA GLN A 92 2.947 -1.831 3.780 1.00 11.26 H new ATOM 0 HB2 GLN A 92 2.693 -4.228 3.303 1.00 11.85 H new ATOM 0 HB3 GLN A 92 2.673 -4.592 5.017 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.659 -2.601 4.469 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.479 -3.918 3.326 1.00 12.25 H new ATOM 0 HE21 GLN A 92 -0.565 -2.823 6.229 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -0.958 -4.353 7.020 1.00 13.70 H new ATOM 1409 N GLU A 93 3.197 -2.619 6.984 1.00 12.34 N ATOM 1410 CA GLU A 93 2.911 -2.142 8.332 1.00 13.06 C ATOM 1411 C GLU A 93 3.502 -0.754 8.547 1.00 12.81 C ATOM 1412 O GLU A 93 2.908 0.089 9.222 1.00 13.39 O ATOM 1413 CB GLU A 93 3.479 -3.108 9.368 1.00 13.62 C ATOM 1414 CG GLU A 93 2.525 -3.393 10.513 1.00 14.57 C ATOM 1415 CD GLU A 93 1.395 -4.311 10.107 1.00 15.36 C ATOM 1416 OE1 GLU A 93 1.674 -5.447 9.674 1.00 15.75 O ATOM 1417 OE2 GLU A 93 0.222 -3.898 10.211 1.00 15.72 O ATOM 0 H GLU A 93 3.744 -3.479 6.949 1.00 12.34 H new ATOM 0 HA GLU A 93 1.829 -2.086 8.450 1.00 13.06 H new ATOM 0 HB2 GLU A 93 3.736 -4.046 8.877 1.00 13.62 H new ATOM 0 HB3 GLU A 93 4.404 -2.695 9.770 1.00 13.62 H new ATOM 0 HG2 GLU A 93 3.077 -3.843 11.338 1.00 14.57 H new ATOM 0 HG3 GLU A 93 2.112 -2.454 10.881 1.00 14.57 H new ATOM 1424 N LEU A 94 4.666 -0.524 7.951 1.00 12.08 N ATOM 1425 CA LEU A 94 5.351 0.752 8.075 1.00 11.97 C ATOM 1426 C LEU A 94 4.500 1.871 7.491 1.00 11.94 C ATOM 1427 O LEU A 94 4.136 2.811 8.188 1.00 12.57 O ATOM 1428 CB LEU A 94 6.706 0.700 7.366 1.00 11.31 C ATOM 1429 CG LEU A 94 7.907 0.451 8.280 1.00 11.47 C ATOM 1430 CD1 LEU A 94 8.959 -0.381 7.564 1.00 11.42 C ATOM 1431 CD2 LEU A 94 8.498 1.771 8.752 1.00 11.53 C ATOM 0 H LEU A 94 5.155 -1.209 7.375 1.00 12.08 H new ATOM 0 HA LEU A 94 5.515 0.953 9.134 1.00 11.97 H new ATOM 0 HB2 LEU A 94 6.674 -0.086 6.612 1.00 11.31 H new ATOM 0 HB3 LEU A 94 6.859 1.642 6.839 1.00 11.31 H new ATOM 0 HG LEU A 94 7.567 -0.106 9.153 1.00 11.47 H new ATOM 0 HD11 LEU A 94 9.806 -0.548 8.230 1.00 11.42 H new ATOM 0 HD12 LEU A 94 8.530 -1.340 7.275 1.00 11.42 H new ATOM 0 HD13 LEU A 94 9.297 0.148 6.673 1.00 11.42 H new ATOM 0 HD21 LEU A 94 9.352 1.576 9.401 1.00 11.53 H new ATOM 0 HD22 LEU A 94 8.823 2.353 7.890 1.00 11.53 H new ATOM 0 HD23 LEU A 94 7.743 2.331 9.304 1.00 11.53 H new ATOM 1443 N PHE A 95 4.222 1.781 6.201 1.00 11.31 N ATOM 1444 CA PHE A 95 3.360 2.752 5.533 1.00 11.29 C ATOM 1445 C PHE A 95 1.946 2.820 6.126 1.00 11.98 C ATOM 1446 O PHE A 95 1.258 3.823 5.956 1.00 12.28 O ATOM 1447 CB PHE A 95 3.299 2.460 4.044 1.00 10.57 C ATOM 1448 CG PHE A 95 4.321 3.227 3.269 1.00 10.24 C ATOM 1449 CD1 PHE A 95 4.362 4.611 3.339 1.00 10.59 C ATOM 1450 CD2 PHE A 95 5.243 2.573 2.476 1.00 9.80 C ATOM 1451 CE1 PHE A 95 5.302 5.326 2.629 1.00 10.56 C ATOM 1452 CE2 PHE A 95 6.186 3.282 1.764 1.00 9.76 C ATOM 1453 CZ PHE A 95 6.215 4.660 1.839 1.00 10.20 C ATOM 0 H PHE A 95 4.580 1.046 5.591 1.00 11.31 H new ATOM 0 HA PHE A 95 3.807 3.732 5.698 1.00 11.29 H new ATOM 0 HB2 PHE A 95 3.448 1.393 3.880 1.00 10.57 H new ATOM 0 HB3 PHE A 95 2.305 2.704 3.669 1.00 10.57 H new ATOM 0 HD1 PHE A 95 3.649 5.135 3.958 1.00 10.59 H new ATOM 0 HD2 PHE A 95 5.225 1.495 2.413 1.00 9.80 H new ATOM 0 HE1 PHE A 95 5.324 6.404 2.691 1.00 10.56 H new ATOM 0 HE2 PHE A 95 6.902 2.760 1.147 1.00 9.76 H new ATOM 0 HZ PHE A 95 6.952 5.216 1.279 1.00 10.20 H new ATOM 1463 N ALA A 96 1.513 1.772 6.816 1.00 12.37 N ATOM 1464 CA ALA A 96 0.246 1.824 7.541 1.00 13.23 C ATOM 1465 C ALA A 96 0.395 2.742 8.754 1.00 14.04 C ATOM 1466 O ALA A 96 -0.488 3.529 9.083 1.00 14.68 O ATOM 1467 CB ALA A 96 -0.186 0.427 7.967 1.00 13.64 C ATOM 0 H ALA A 96 2.012 0.885 6.890 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.528 2.224 6.886 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -1.132 0.487 8.506 1.00 13.64 H new ATOM 0 HB2 ALA A 96 -0.310 -0.200 7.084 1.00 13.64 H new ATOM 0 HB3 ALA A 96 0.574 -0.007 8.616 1.00 13.64 H new ATOM 1473 N GLU A 97 1.518 2.588 9.428 1.00 14.09 N ATOM 1474 CA GLU A 97 1.933 3.533 10.460 1.00 14.82 C ATOM 1475 C GLU A 97 2.047 4.939 9.859 1.00 14.74 C ATOM 1476 O GLU A 97 1.642 5.930 10.471 1.00 15.58 O ATOM 1477 CB GLU A 97 3.266 3.103 11.069 1.00 14.74 C ATOM 1478 CG GLU A 97 3.183 2.772 12.545 1.00 15.73 C ATOM 1479 CD GLU A 97 4.189 3.545 13.364 1.00 16.14 C ATOM 1480 OE1 GLU A 97 5.388 3.198 13.323 1.00 16.03 O ATOM 1481 OE2 GLU A 97 3.785 4.496 14.061 1.00 16.68 O ATOM 0 H GLU A 97 2.166 1.814 9.282 1.00 14.09 H new ATOM 0 HA GLU A 97 1.184 3.547 11.252 1.00 14.82 H new ATOM 0 HB2 GLU A 97 3.637 2.231 10.530 1.00 14.74 H new ATOM 0 HB3 GLU A 97 3.995 3.900 10.925 1.00 14.74 H new ATOM 0 HG2 GLU A 97 2.178 2.990 12.908 1.00 15.73 H new ATOM 0 HG3 GLU A 97 3.348 1.704 12.685 1.00 15.73 H new ATOM 1488 N PHE A 98 2.596 4.999 8.650 1.00 13.84 N ATOM 1489 CA PHE A 98 2.729 6.238 7.878 1.00 13.78 C ATOM 1490 C PHE A 98 1.385 6.784 7.381 1.00 14.08 C ATOM 1491 O PHE A 98 1.347 7.814 6.712 1.00 14.23 O ATOM 1492 CB PHE A 98 3.667 6.023 6.688 1.00 12.84 C ATOM 1493 CG PHE A 98 5.087 6.405 6.978 1.00 12.77 C ATOM 1494 CD1 PHE A 98 5.419 7.714 7.282 1.00 12.76 C ATOM 1495 CD2 PHE A 98 6.095 5.456 6.931 1.00 12.86 C ATOM 1496 CE1 PHE A 98 6.728 8.068 7.535 1.00 12.87 C ATOM 1497 CE2 PHE A 98 7.406 5.805 7.189 1.00 12.95 C ATOM 1498 CZ PHE A 98 7.714 7.112 7.536 1.00 12.97 C ATOM 0 H PHE A 98 2.967 4.180 8.169 1.00 13.84 H new ATOM 0 HA PHE A 98 3.147 6.981 8.557 1.00 13.78 H new ATOM 0 HB2 PHE A 98 3.633 4.975 6.392 1.00 12.84 H new ATOM 0 HB3 PHE A 98 3.307 6.606 5.840 1.00 12.84 H new ATOM 0 HD1 PHE A 98 4.645 8.466 7.322 1.00 12.76 H new ATOM 0 HD2 PHE A 98 5.853 4.431 6.690 1.00 12.86 H new ATOM 0 HE1 PHE A 98 6.978 9.100 7.733 1.00 12.87 H new ATOM 0 HE2 PHE A 98 8.188 5.063 7.121 1.00 12.95 H new ATOM 0 HZ PHE A 98 8.726 7.377 7.806 1.00 12.97 H new ATOM 1508 N GLY A 99 0.296 6.100 7.695 1.00 14.25 N ATOM 1509 CA GLY A 99 -0.998 6.536 7.200 1.00 14.54 C ATOM 1510 C GLY A 99 -1.841 5.433 6.596 1.00 14.14 C ATOM 1511 O GLY A 99 -2.195 4.468 7.271 1.00 14.45 O ATOM 0 H GLY A 99 0.281 5.262 8.276 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -1.552 6.992 8.020 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -0.844 7.311 6.449 1.00 14.54 H new ATOM 1515 N THR A 100 -2.180 5.574 5.325 1.00 13.58 N ATOM 1516 CA THR A 100 -3.107 4.658 4.687 1.00 13.32 C ATOM 1517 C THR A 100 -2.450 3.890 3.552 1.00 12.31 C ATOM 1518 O THR A 100 -2.126 4.461 2.511 1.00 11.75 O ATOM 1519 CB THR A 100 -4.326 5.412 4.126 1.00 13.60 C ATOM 1520 OG1 THR A 100 -4.281 6.793 4.521 1.00 14.03 O ATOM 1521 CG2 THR A 100 -5.619 4.775 4.607 1.00 14.35 C ATOM 0 H THR A 100 -1.827 6.313 4.717 1.00 13.58 H new ATOM 0 HA THR A 100 -3.426 3.954 5.455 1.00 13.32 H new ATOM 0 HB THR A 100 -4.295 5.353 3.038 1.00 13.60 H new ATOM 0 HG1 THR A 100 -4.059 7.348 3.745 1.00 14.03 H new ATOM 0 HG21 THR A 100 -6.468 5.323 4.199 1.00 14.35 H new ATOM 0 HG22 THR A 100 -5.661 3.739 4.272 1.00 14.35 H new ATOM 0 HG23 THR A 100 -5.657 4.806 5.696 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.266 2.593 3.746 1.00 12.24 N ATOM 1530 CA LEU A 101 -1.726 1.750 2.698 1.00 11.47 C ATOM 1531 C LEU A 101 -2.828 0.888 2.099 1.00 11.61 C ATOM 1532 O LEU A 101 -3.227 -0.122 2.681 1.00 12.28 O ATOM 1533 CB LEU A 101 -0.581 0.873 3.217 1.00 11.39 C ATOM 1534 CG LEU A 101 0.309 0.269 2.124 1.00 10.65 C ATOM 1535 CD1 LEU A 101 0.513 1.264 0.996 1.00 10.24 C ATOM 1536 CD2 LEU A 101 1.651 -0.160 2.691 1.00 10.45 C ATOM 0 H LEU A 101 -2.482 2.106 4.616 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.319 2.398 1.921 1.00 11.47 H new ATOM 0 HB2 LEU A 101 0.041 1.469 3.885 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.003 0.063 3.812 1.00 11.39 H new ATOM 0 HG LEU A 101 -0.195 -0.613 1.729 1.00 10.65 H new ATOM 0 HD11 LEU A 101 1.147 0.819 0.229 1.00 10.24 H new ATOM 0 HD12 LEU A 101 -0.452 1.525 0.562 1.00 10.24 H new ATOM 0 HD13 LEU A 101 0.991 2.163 1.386 1.00 10.24 H new ATOM 0 HD21 LEU A 101 2.263 -0.585 1.895 1.00 10.45 H new ATOM 0 HD22 LEU A 101 2.159 0.705 3.117 1.00 10.45 H new ATOM 0 HD23 LEU A 101 1.495 -0.908 3.468 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.333 1.325 0.953 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.351 0.580 0.221 1.00 11.26 C ATOM 1550 C LYS A 102 -3.840 -0.819 -0.105 1.00 11.16 C ATOM 1551 O LYS A 102 -4.394 -1.820 0.351 1.00 11.79 O ATOM 1552 CB LYS A 102 -4.741 1.314 -1.066 1.00 10.93 C ATOM 1553 CG LYS A 102 -6.240 1.364 -1.314 1.00 11.36 C ATOM 1554 CD LYS A 102 -6.822 -0.024 -1.528 1.00 11.57 C ATOM 1555 CE LYS A 102 -8.263 -0.107 -1.053 1.00 12.20 C ATOM 1556 NZ LYS A 102 -8.428 0.420 0.328 1.00 12.64 N ATOM 0 H LYS A 102 -3.052 2.198 0.507 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.238 0.498 0.850 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -4.355 2.333 -1.023 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -4.258 0.825 -1.912 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -6.733 1.838 -0.466 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.444 1.983 -2.188 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -6.772 -0.281 -2.586 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -6.219 -0.758 -0.993 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -8.902 0.456 -1.734 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -8.596 -1.144 -1.087 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -9.254 -0.028 0.774 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -7.576 0.208 0.885 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -8.570 1.450 0.292 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.782 -0.880 -0.893 1.00 10.53 N ATOM 1571 CA LYS A 103 -2.145 -2.141 -1.215 1.00 10.59 C ATOM 1572 C LYS A 103 -0.636 -1.973 -1.201 1.00 10.09 C ATOM 1573 O LYS A 103 -0.131 -0.908 -1.528 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.641 -2.658 -2.574 1.00 10.70 C ATOM 1575 CG LYS A 103 -1.764 -2.281 -3.762 1.00 10.37 C ATOM 1576 CD LYS A 103 -1.121 -3.508 -4.394 1.00 10.76 C ATOM 1577 CE LYS A 103 -2.137 -4.351 -5.150 1.00 11.04 C ATOM 1578 NZ LYS A 103 -2.672 -5.461 -4.316 1.00 12.01 N ATOM 0 H LYS A 103 -2.345 -0.065 -1.323 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.411 -2.883 -0.463 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -2.717 -3.744 -2.527 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.647 -2.275 -2.747 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -2.364 -1.759 -4.507 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -0.987 -1.589 -3.437 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -0.330 -3.194 -5.075 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -0.652 -4.113 -3.618 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -2.960 -3.717 -5.481 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -1.672 -4.762 -6.046 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -2.686 -6.339 -4.874 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -2.066 -5.591 -3.481 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -3.639 -5.230 -4.010 1.00 12.01 H new ATOM 1592 N ALA A 104 0.082 -2.999 -0.788 1.00 10.38 N ATOM 1593 CA ALA A 104 1.531 -2.946 -0.812 1.00 10.01 C ATOM 1594 C ALA A 104 2.102 -4.151 -1.535 1.00 10.44 C ATOM 1595 O ALA A 104 1.943 -5.293 -1.100 1.00 10.99 O ATOM 1596 CB ALA A 104 2.106 -2.822 0.594 1.00 9.89 C ATOM 0 H ALA A 104 -0.309 -3.872 -0.435 1.00 10.38 H new ATOM 0 HA ALA A 104 1.824 -2.052 -1.363 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.194 -2.785 0.540 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.734 -1.909 1.060 1.00 9.89 H new ATOM 0 HB3 ALA A 104 1.801 -3.683 1.189 1.00 9.89 H new ATOM 1602 N ALA A 105 2.760 -3.878 -2.642 1.00 10.39 N ATOM 1603 CA ALA A 105 3.374 -4.900 -3.463 1.00 10.98 C ATOM 1604 C ALA A 105 4.872 -4.905 -3.222 1.00 10.79 C ATOM 1605 O ALA A 105 5.403 -4.001 -2.580 1.00 10.39 O ATOM 1606 CB ALA A 105 3.050 -4.688 -4.934 1.00 11.52 C ATOM 0 H ALA A 105 2.885 -2.931 -3.001 1.00 10.39 H new ATOM 0 HA ALA A 105 2.969 -5.873 -3.184 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.524 -5.470 -5.527 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.970 -4.727 -5.078 1.00 11.52 H new ATOM 0 HB3 ALA A 105 3.423 -3.715 -5.252 1.00 11.52 H new ATOM 1612 N VAL A 106 5.551 -5.901 -3.765 1.00 11.23 N ATOM 1613 CA VAL A 106 6.918 -6.210 -3.354 1.00 11.21 C ATOM 1614 C VAL A 106 7.699 -6.778 -4.520 1.00 11.93 C ATOM 1615 O VAL A 106 7.156 -7.509 -5.348 1.00 12.59 O ATOM 1616 CB VAL A 106 6.968 -7.203 -2.171 1.00 11.39 C ATOM 1617 CG1 VAL A 106 8.385 -7.350 -1.636 1.00 10.93 C ATOM 1618 CG2 VAL A 106 6.039 -6.739 -1.076 1.00 11.99 C ATOM 0 H VAL A 106 5.181 -6.513 -4.493 1.00 11.23 H new ATOM 0 HA VAL A 106 7.368 -5.274 -3.022 1.00 11.21 H new ATOM 0 HB VAL A 106 6.644 -8.180 -2.528 1.00 11.39 H new ATOM 0 HG11 VAL A 106 8.389 -8.055 -0.804 1.00 10.93 H new ATOM 0 HG12 VAL A 106 9.036 -7.720 -2.428 1.00 10.93 H new ATOM 0 HG13 VAL A 106 8.746 -6.381 -1.292 1.00 10.93 H new ATOM 0 HG21 VAL A 106 6.077 -7.442 -0.244 1.00 11.99 H new ATOM 0 HG22 VAL A 106 6.347 -5.752 -0.731 1.00 11.99 H new ATOM 0 HG23 VAL A 106 5.020 -6.687 -1.461 1.00 11.99 H new ATOM 1628 N ASP A 107 8.965 -6.424 -4.588 1.00 11.95 N ATOM 1629 CA ASP A 107 9.820 -6.862 -5.670 1.00 12.77 C ATOM 1630 C ASP A 107 11.036 -7.604 -5.126 1.00 13.21 C ATOM 1631 O ASP A 107 11.648 -7.188 -4.142 1.00 12.80 O ATOM 1632 CB ASP A 107 10.249 -5.658 -6.509 1.00 12.61 C ATOM 1633 CG ASP A 107 11.161 -6.039 -7.656 1.00 13.52 C ATOM 1634 OD1 ASP A 107 10.664 -6.644 -8.631 1.00 13.74 O ATOM 1635 OD2 ASP A 107 12.371 -5.730 -7.596 1.00 14.12 O ATOM 0 H ASP A 107 9.427 -5.829 -3.900 1.00 11.95 H new ATOM 0 HA ASP A 107 9.264 -7.551 -6.305 1.00 12.77 H new ATOM 0 HB2 ASP A 107 9.363 -5.162 -6.905 1.00 12.61 H new ATOM 0 HB3 ASP A 107 10.759 -4.938 -5.869 1.00 12.61 H new ATOM 1640 N TYR A 108 11.376 -8.702 -5.775 1.00 14.11 N ATOM 1641 CA TYR A 108 12.482 -9.543 -5.346 1.00 14.67 C ATOM 1642 C TYR A 108 13.427 -9.777 -6.515 1.00 15.44 C ATOM 1643 O TYR A 108 13.100 -9.451 -7.657 1.00 15.72 O ATOM 1644 CB TYR A 108 11.968 -10.883 -4.812 1.00 15.38 C ATOM 1645 CG TYR A 108 11.288 -10.792 -3.463 1.00 14.91 C ATOM 1646 CD1 TYR A 108 12.030 -10.600 -2.305 1.00 14.54 C ATOM 1647 CD2 TYR A 108 9.908 -10.891 -3.348 1.00 15.00 C ATOM 1648 CE1 TYR A 108 11.415 -10.510 -1.071 1.00 14.26 C ATOM 1649 CE2 TYR A 108 9.286 -10.801 -2.117 1.00 14.74 C ATOM 1650 CZ TYR A 108 10.035 -10.641 -0.985 1.00 14.37 C ATOM 1651 OH TYR A 108 9.428 -10.515 0.245 1.00 14.27 O ATOM 0 H TYR A 108 10.897 -9.036 -6.611 1.00 14.11 H new ATOM 0 HA TYR A 108 13.016 -9.036 -4.542 1.00 14.67 H new ATOM 0 HB2 TYR A 108 11.267 -11.304 -5.533 1.00 15.38 H new ATOM 0 HB3 TYR A 108 12.805 -11.578 -4.739 1.00 15.38 H new ATOM 0 HD1 TYR A 108 13.105 -10.520 -2.370 1.00 14.54 H new ATOM 0 HD2 TYR A 108 9.311 -11.041 -4.235 1.00 15.00 H new ATOM 0 HE1 TYR A 108 12.002 -10.339 -0.181 1.00 14.26 H new ATOM 0 HE2 TYR A 108 8.210 -10.857 -2.050 1.00 14.74 H new ATOM 0 HH TYR A 108 8.489 -10.264 0.122 1.00 14.27 H new ATOM 1661 N ASP A 109 14.587 -10.353 -6.240 1.00 15.88 N ATOM 1662 CA ASP A 109 15.572 -10.591 -7.277 1.00 16.70 C ATOM 1663 C ASP A 109 15.567 -12.057 -7.673 1.00 17.75 C ATOM 1664 O ASP A 109 15.209 -12.918 -6.868 1.00 17.90 O ATOM 1665 CB ASP A 109 16.964 -10.187 -6.798 1.00 16.70 C ATOM 1666 CG ASP A 109 17.995 -10.251 -7.905 1.00 17.47 C ATOM 1667 OD1 ASP A 109 18.060 -9.310 -8.720 1.00 17.54 O ATOM 1668 OD2 ASP A 109 18.735 -11.249 -7.972 1.00 18.07 O ATOM 0 H ASP A 109 14.867 -10.663 -5.309 1.00 15.88 H new ATOM 0 HA ASP A 109 15.313 -9.985 -8.145 1.00 16.70 H new ATOM 0 HB2 ASP A 109 16.928 -9.174 -6.397 1.00 16.70 H new ATOM 0 HB3 ASP A 109 17.269 -10.842 -5.982 1.00 16.70 H new ATOM 1673 N ARG A 110 15.962 -12.333 -8.903 1.00 18.56 N ATOM 1674 CA ARG A 110 15.974 -13.692 -9.419 1.00 19.67 C ATOM 1675 C ARG A 110 16.989 -14.563 -8.679 1.00 20.06 C ATOM 1676 O ARG A 110 16.791 -15.771 -8.547 1.00 20.72 O ATOM 1677 CB ARG A 110 16.281 -13.690 -10.917 1.00 20.52 C ATOM 1678 CG ARG A 110 15.060 -13.937 -11.787 1.00 20.56 C ATOM 1679 CD ARG A 110 14.283 -12.653 -12.041 1.00 20.89 C ATOM 1680 NE ARG A 110 13.239 -12.434 -11.039 1.00 21.05 N ATOM 1681 CZ ARG A 110 11.983 -12.871 -11.156 1.00 21.24 C ATOM 1682 NH1 ARG A 110 11.586 -13.492 -12.259 1.00 21.27 N ATOM 1683 NH2 ARG A 110 11.116 -12.670 -10.171 1.00 21.49 N ATOM 0 H ARG A 110 16.281 -11.629 -9.568 1.00 18.56 H new ATOM 0 HA ARG A 110 14.983 -14.116 -9.256 1.00 19.67 H new ATOM 0 HB2 ARG A 110 16.722 -12.731 -11.188 1.00 20.52 H new ATOM 0 HB3 ARG A 110 17.028 -14.455 -11.128 1.00 20.52 H new ATOM 0 HG2 ARG A 110 15.372 -14.368 -12.738 1.00 20.56 H new ATOM 0 HG3 ARG A 110 14.410 -14.667 -11.304 1.00 20.56 H new ATOM 0 HD2 ARG A 110 14.971 -11.807 -12.038 1.00 20.89 H new ATOM 0 HD3 ARG A 110 13.831 -12.693 -13.032 1.00 20.89 H new ATOM 0 HE ARG A 110 13.487 -11.914 -10.197 1.00 21.05 H new ATOM 0 HH11 ARG A 110 12.242 -13.639 -13.026 1.00 21.27 H new ATOM 0 HH12 ARG A 110 10.625 -13.823 -12.340 1.00 21.27 H new ATOM 0 HH21 ARG A 110 11.410 -12.182 -9.325 1.00 21.49 H new ATOM 0 HH22 ARG A 110 10.156 -13.004 -10.260 1.00 21.49 H new ATOM 1697 N SER A 111 18.063 -13.955 -8.182 1.00 19.71 N ATOM 1698 CA SER A 111 19.127 -14.711 -7.532 1.00 20.09 C ATOM 1699 C SER A 111 19.431 -14.167 -6.133 1.00 19.34 C ATOM 1700 O SER A 111 19.792 -14.921 -5.228 1.00 19.58 O ATOM 1701 CB SER A 111 20.386 -14.670 -8.399 1.00 20.36 C ATOM 1702 OG SER A 111 20.050 -14.542 -9.774 1.00 20.33 O ATOM 0 H SER A 111 18.218 -12.947 -8.217 1.00 19.71 H new ATOM 0 HA SER A 111 18.793 -15.742 -7.418 1.00 20.09 H new ATOM 0 HB2 SER A 111 21.015 -13.833 -8.095 1.00 20.36 H new ATOM 0 HB3 SER A 111 20.968 -15.579 -8.246 1.00 20.36 H new ATOM 0 HG SER A 111 20.870 -14.516 -10.310 1.00 20.33 H new ATOM 1708 N GLY A 112 19.264 -12.861 -5.957 1.00 18.52 N ATOM 1709 CA GLY A 112 19.593 -12.222 -4.693 1.00 17.87 C ATOM 1710 C GLY A 112 18.455 -12.283 -3.690 1.00 17.53 C ATOM 1711 O GLY A 112 18.660 -12.050 -2.495 1.00 17.59 O ATOM 0 H GLY A 112 18.904 -12.228 -6.672 1.00 18.52 H new ATOM 0 HA2 GLY A 112 20.474 -12.702 -4.266 1.00 17.87 H new ATOM 0 HA3 GLY A 112 19.855 -11.180 -4.875 1.00 17.87 H new ATOM 1715 N ARG A 113 17.259 -12.590 -4.184 1.00 17.30 N ATOM 1716 CA ARG A 113 16.061 -12.710 -3.357 1.00 17.14 C ATOM 1717 C ARG A 113 15.618 -11.342 -2.818 1.00 16.20 C ATOM 1718 O ARG A 113 15.021 -10.564 -3.559 1.00 16.37 O ATOM 1719 CB ARG A 113 16.246 -13.747 -2.234 1.00 17.48 C ATOM 1720 CG ARG A 113 14.948 -14.422 -1.820 1.00 18.02 C ATOM 1721 CD ARG A 113 14.861 -14.612 -0.314 1.00 18.53 C ATOM 1722 NE ARG A 113 13.526 -14.299 0.197 1.00 18.76 N ATOM 1723 CZ ARG A 113 13.205 -14.273 1.489 1.00 19.39 C ATOM 1724 NH1 ARG A 113 14.107 -14.582 2.414 1.00 19.85 N ATOM 1725 NH2 ARG A 113 11.972 -13.948 1.857 1.00 19.68 N ATOM 0 H ARG A 113 17.092 -12.764 -5.175 1.00 17.30 H new ATOM 0 HA ARG A 113 15.256 -13.080 -3.992 1.00 17.14 H new ATOM 0 HB2 ARG A 113 16.954 -14.507 -2.564 1.00 17.48 H new ATOM 0 HB3 ARG A 113 16.686 -13.257 -1.365 1.00 17.48 H new ATOM 0 HG2 ARG A 113 14.103 -13.823 -2.159 1.00 18.02 H new ATOM 0 HG3 ARG A 113 14.870 -15.391 -2.313 1.00 18.02 H new ATOM 0 HD2 ARG A 113 15.114 -15.642 -0.062 1.00 18.53 H new ATOM 0 HD3 ARG A 113 15.597 -13.974 0.176 1.00 18.53 H new ATOM 0 HE ARG A 113 12.794 -14.087 -0.481 1.00 18.76 H new ATOM 0 HH11 ARG A 113 15.054 -14.842 2.137 1.00 19.85 H new ATOM 0 HH12 ARG A 113 13.853 -14.560 3.402 1.00 19.85 H new ATOM 0 HH21 ARG A 113 11.273 -13.719 1.151 1.00 19.68 H new ATOM 0 HH22 ARG A 113 11.724 -13.927 2.846 1.00 19.68 H new ATOM 1739 N SER A 114 15.921 -11.018 -1.567 1.00 15.31 N ATOM 1740 CA SER A 114 15.361 -9.828 -0.947 1.00 14.46 C ATOM 1741 C SER A 114 16.313 -8.635 -1.019 1.00 13.60 C ATOM 1742 O SER A 114 16.986 -8.302 -0.043 1.00 13.37 O ATOM 1743 CB SER A 114 15.007 -10.133 0.508 1.00 14.66 C ATOM 1744 OG SER A 114 15.102 -11.524 0.766 1.00 15.43 O ATOM 0 H SER A 114 16.546 -11.558 -0.968 1.00 15.31 H new ATOM 0 HA SER A 114 14.463 -9.554 -1.500 1.00 14.46 H new ATOM 0 HB2 SER A 114 15.678 -9.588 1.172 1.00 14.66 H new ATOM 0 HB3 SER A 114 13.996 -9.787 0.722 1.00 14.66 H new ATOM 0 HG SER A 114 14.873 -11.699 1.703 1.00 15.43 H new ATOM 1750 N LEU A 115 16.390 -8.015 -2.191 1.00 13.29 N ATOM 1751 CA LEU A 115 17.050 -6.715 -2.307 1.00 12.67 C ATOM 1752 C LEU A 115 16.214 -5.682 -1.559 1.00 11.82 C ATOM 1753 O LEU A 115 16.738 -4.828 -0.841 1.00 11.50 O ATOM 1754 CB LEU A 115 17.245 -6.274 -3.767 1.00 13.13 C ATOM 1755 CG LEU A 115 16.573 -7.132 -4.842 1.00 13.71 C ATOM 1756 CD1 LEU A 115 15.071 -6.900 -4.860 1.00 13.79 C ATOM 1757 CD2 LEU A 115 17.167 -6.817 -6.204 1.00 14.34 C ATOM 0 H LEU A 115 16.011 -8.382 -3.064 1.00 13.29 H new ATOM 0 HA LEU A 115 18.046 -6.801 -1.873 1.00 12.67 H new ATOM 0 HB2 LEU A 115 16.875 -5.254 -3.866 1.00 13.13 H new ATOM 0 HB3 LEU A 115 18.315 -6.247 -3.974 1.00 13.13 H new ATOM 0 HG LEU A 115 16.753 -8.181 -4.607 1.00 13.71 H new ATOM 0 HD11 LEU A 115 14.616 -7.521 -5.632 1.00 13.79 H new ATOM 0 HD12 LEU A 115 14.651 -7.162 -3.889 1.00 13.79 H new ATOM 0 HD13 LEU A 115 14.867 -5.850 -5.072 1.00 13.79 H new ATOM 0 HD21 LEU A 115 16.683 -7.432 -6.963 1.00 14.34 H new ATOM 0 HD22 LEU A 115 17.009 -5.764 -6.435 1.00 14.34 H new ATOM 0 HD23 LEU A 115 18.236 -7.029 -6.193 1.00 14.34 H new ATOM 1769 N GLY A 116 14.905 -5.778 -1.747 1.00 11.63 N ATOM 1770 CA GLY A 116 13.979 -5.013 -0.941 1.00 10.96 C ATOM 1771 C GLY A 116 13.327 -3.897 -1.721 1.00 10.62 C ATOM 1772 O GLY A 116 13.078 -2.817 -1.190 1.00 10.23 O ATOM 0 H GLY A 116 14.467 -6.376 -2.448 1.00 11.63 H new ATOM 0 HA2 GLY A 116 13.209 -5.677 -0.548 1.00 10.96 H new ATOM 0 HA3 GLY A 116 14.507 -4.594 -0.084 1.00 10.96 H new ATOM 1776 N THR A 117 13.062 -4.162 -2.992 1.00 10.92 N ATOM 1777 CA THR A 117 12.249 -3.278 -3.799 1.00 10.75 C ATOM 1778 C THR A 117 10.780 -3.562 -3.517 1.00 10.46 C ATOM 1779 O THR A 117 10.427 -4.673 -3.119 1.00 10.80 O ATOM 1780 CB THR A 117 12.521 -3.482 -5.304 1.00 11.45 C ATOM 1781 OG1 THR A 117 13.655 -4.334 -5.486 1.00 12.11 O ATOM 1782 CG2 THR A 117 12.766 -2.160 -6.011 1.00 11.71 C ATOM 0 H THR A 117 13.402 -4.988 -3.484 1.00 10.92 H new ATOM 0 HA THR A 117 12.500 -2.249 -3.542 1.00 10.75 H new ATOM 0 HB THR A 117 11.636 -3.945 -5.740 1.00 11.45 H new ATOM 0 HG1 THR A 117 13.480 -4.958 -6.221 1.00 12.11 H new ATOM 0 HG21 THR A 117 12.954 -2.343 -7.069 1.00 11.71 H new ATOM 0 HG22 THR A 117 11.889 -1.522 -5.903 1.00 11.71 H new ATOM 0 HG23 THR A 117 13.631 -1.666 -5.569 1.00 11.71 H new ATOM 1790 N ALA A 118 9.928 -2.574 -3.708 1.00 9.99 N ATOM 1791 CA ALA A 118 8.504 -2.761 -3.510 1.00 9.78 C ATOM 1792 C ALA A 118 7.723 -1.639 -4.175 1.00 9.60 C ATOM 1793 O ALA A 118 8.295 -0.613 -4.566 1.00 9.55 O ATOM 1794 CB ALA A 118 8.157 -2.852 -2.025 1.00 9.47 C ATOM 0 H ALA A 118 10.197 -1.634 -4.000 1.00 9.99 H new ATOM 0 HA ALA A 118 8.222 -3.705 -3.975 1.00 9.78 H new ATOM 0 HB1 ALA A 118 7.082 -2.992 -1.910 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.682 -3.697 -1.580 1.00 9.47 H new ATOM 0 HB3 ALA A 118 8.458 -1.932 -1.524 1.00 9.47 H new ATOM 1800 N ASP A 119 6.425 -1.855 -4.304 1.00 9.67 N ATOM 1801 CA ASP A 119 5.529 -0.903 -4.938 1.00 9.53 C ATOM 1802 C ASP A 119 4.209 -0.880 -4.176 1.00 9.23 C ATOM 1803 O ASP A 119 3.410 -1.806 -4.269 1.00 9.46 O ATOM 1804 CB ASP A 119 5.318 -1.298 -6.412 1.00 10.06 C ATOM 1805 CG ASP A 119 3.974 -0.877 -6.979 1.00 10.01 C ATOM 1806 OD1 ASP A 119 3.756 0.331 -7.173 1.00 9.84 O ATOM 1807 OD2 ASP A 119 3.136 -1.763 -7.266 1.00 10.21 O ATOM 0 H ASP A 119 5.961 -2.700 -3.970 1.00 9.67 H new ATOM 0 HA ASP A 119 5.960 0.098 -4.915 1.00 9.53 H new ATOM 0 HB2 ASP A 119 6.110 -0.852 -7.014 1.00 10.06 H new ATOM 0 HB3 ASP A 119 5.417 -2.379 -6.505 1.00 10.06 H new ATOM 1812 N VAL A 120 3.988 0.153 -3.385 1.00 8.97 N ATOM 1813 CA VAL A 120 2.789 0.220 -2.571 1.00 8.93 C ATOM 1814 C VAL A 120 1.875 1.338 -3.064 1.00 8.97 C ATOM 1815 O VAL A 120 2.309 2.247 -3.762 1.00 9.03 O ATOM 1816 CB VAL A 120 3.123 0.394 -1.070 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.302 -0.484 -0.674 1.00 9.07 C ATOM 1818 CG2 VAL A 120 3.418 1.839 -0.741 1.00 9.06 C ATOM 0 H VAL A 120 4.617 0.951 -3.289 1.00 8.97 H new ATOM 0 HA VAL A 120 2.262 -0.729 -2.673 1.00 8.93 H new ATOM 0 HB VAL A 120 2.248 0.084 -0.499 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.519 -0.346 0.385 1.00 9.07 H new ATOM 0 HG12 VAL A 120 4.056 -1.529 -0.860 1.00 9.07 H new ATOM 0 HG13 VAL A 120 5.176 -0.207 -1.263 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.649 1.931 0.320 1.00 9.06 H new ATOM 0 HG22 VAL A 120 4.271 2.179 -1.329 1.00 9.06 H new ATOM 0 HG23 VAL A 120 2.547 2.451 -0.977 1.00 9.06 H new ATOM 1828 N HIS A 121 0.605 1.255 -2.717 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.388 2.174 -3.234 1.00 9.24 C ATOM 1830 C HIS A 121 -1.239 2.745 -2.116 1.00 9.55 C ATOM 1831 O HIS A 121 -1.802 1.997 -1.322 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.290 1.442 -4.224 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.978 1.741 -5.655 1.00 9.45 C ATOM 1834 ND1 HIS A 121 -0.215 0.917 -6.448 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -1.342 2.782 -6.438 1.00 9.62 C ATOM 1836 CE1 HIS A 121 -0.122 1.435 -7.658 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.799 2.567 -7.679 1.00 9.93 N ATOM 0 H HIS A 121 0.236 0.554 -2.074 1.00 9.13 H new ATOM 0 HA HIS A 121 0.131 2.995 -3.730 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.200 0.368 -4.058 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.327 1.710 -4.024 1.00 9.38 H new ATOM 0 HD2 HIS A 121 -1.948 3.626 -6.141 1.00 9.62 H new ATOM 0 HE1 HIS A 121 0.417 1.005 -8.490 1.00 9.94 H new ATOM 0 HE2 HIS A 121 -0.902 3.182 -8.486 1.00 9.93 H new ATOM 1846 N PHE A 122 -1.321 4.064 -2.044 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.236 4.719 -1.122 1.00 10.32 C ATOM 1848 C PHE A 122 -3.441 5.252 -1.887 1.00 10.49 C ATOM 1849 O PHE A 122 -3.364 5.485 -3.096 1.00 10.27 O ATOM 1850 CB PHE A 122 -1.547 5.872 -0.384 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.066 5.688 -0.193 1.00 10.49 C ATOM 1852 CD1 PHE A 122 0.419 4.771 0.723 1.00 10.52 C ATOM 1853 CD2 PHE A 122 0.838 6.437 -0.926 1.00 10.41 C ATOM 1854 CE1 PHE A 122 1.776 4.604 0.904 1.00 10.36 C ATOM 1855 CE2 PHE A 122 2.196 6.275 -0.751 1.00 10.34 C ATOM 1856 CZ PHE A 122 2.666 5.358 0.166 1.00 10.28 C ATOM 0 H PHE A 122 -0.765 4.702 -2.613 1.00 9.77 H new ATOM 0 HA PHE A 122 -2.560 3.984 -0.385 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -1.718 6.796 -0.937 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.015 5.994 0.593 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.273 4.179 1.303 1.00 10.52 H new ATOM 0 HD2 PHE A 122 0.475 7.157 -1.644 1.00 10.41 H new ATOM 0 HE1 PHE A 122 2.142 3.885 1.622 1.00 10.36 H new ATOM 0 HE2 PHE A 122 2.890 6.865 -1.331 1.00 10.34 H new ATOM 0 HZ PHE A 122 3.729 5.230 0.306 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.554 5.427 -1.187 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.774 5.930 -1.809 1.00 11.27 C ATOM 1868 C GLU A 123 -5.705 7.444 -1.992 1.00 11.67 C ATOM 1869 O GLU A 123 -6.282 7.994 -2.928 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.007 5.563 -0.973 1.00 11.83 C ATOM 1871 CG GLU A 123 -6.706 4.689 0.236 1.00 11.97 C ATOM 1872 CD GLU A 123 -7.965 4.173 0.904 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -8.502 4.871 1.787 1.00 12.45 O ATOM 1874 OE2 GLU A 123 -8.422 3.068 0.549 1.00 12.67 O ATOM 0 H GLU A 123 -4.638 5.229 -0.190 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.864 5.461 -2.789 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.487 6.481 -0.633 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.724 5.046 -1.611 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -6.090 3.845 -0.074 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -6.123 5.261 0.958 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.987 8.110 -1.096 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.884 9.563 -1.117 1.00 12.58 C ATOM 1883 C ARG A 124 -3.537 9.993 -1.680 1.00 12.40 C ATOM 1884 O ARG A 124 -2.505 9.426 -1.325 1.00 12.05 O ATOM 1885 CB ARG A 124 -5.036 10.113 0.300 1.00 13.34 C ATOM 1886 CG ARG A 124 -6.300 10.927 0.514 1.00 13.64 C ATOM 1887 CD ARG A 124 -7.309 10.175 1.364 1.00 14.19 C ATOM 1888 NE ARG A 124 -8.389 9.612 0.557 1.00 14.36 N ATOM 1889 CZ ARG A 124 -8.833 8.362 0.670 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -8.313 7.550 1.586 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -9.809 7.932 -0.117 1.00 15.04 N ATOM 0 H ARG A 124 -4.465 7.664 -0.342 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.678 9.957 -1.752 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -5.028 9.281 1.004 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -4.172 10.735 0.532 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -6.048 11.872 0.996 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -6.745 11.170 -0.451 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -6.804 9.374 1.904 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -7.728 10.849 2.112 1.00 14.19 H new ATOM 0 HE ARG A 124 -8.831 10.215 -0.137 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -7.573 7.885 2.203 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -8.654 6.593 1.671 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -10.220 8.559 -0.809 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -10.149 6.974 -0.031 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.545 10.998 -2.550 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.311 11.522 -3.127 1.00 12.90 C ATOM 1907 C ARG A 125 -1.444 12.176 -2.059 1.00 13.56 C ATOM 1908 O ARG A 125 -0.218 12.119 -2.124 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.622 12.541 -4.222 1.00 13.36 C ATOM 1910 CG ARG A 125 -3.341 11.953 -5.422 1.00 13.29 C ATOM 1911 CD ARG A 125 -4.704 12.596 -5.633 1.00 13.69 C ATOM 1912 NE ARG A 125 -4.650 14.054 -5.541 1.00 14.28 N ATOM 1913 CZ ARG A 125 -5.344 14.878 -6.325 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -6.144 14.395 -7.270 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -5.237 16.188 -6.159 1.00 15.26 N ATOM 0 H ARG A 125 -4.392 11.466 -2.871 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.765 10.683 -3.559 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -3.233 13.339 -3.800 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -1.690 12.996 -4.556 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -2.731 12.091 -6.315 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -3.463 10.879 -5.283 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -5.091 12.310 -6.611 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -5.403 12.213 -4.890 1.00 13.69 H new ATOM 0 HE ARG A 125 -4.043 14.466 -4.832 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -6.230 13.387 -7.399 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -6.672 15.032 -7.866 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -4.625 16.562 -5.433 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -5.766 16.823 -6.757 1.00 15.26 H new ATOM 1929 N ALA A 126 -2.090 12.791 -1.072 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.379 13.452 0.017 1.00 15.01 C ATOM 1931 C ALA A 126 -0.526 12.464 0.799 1.00 14.54 C ATOM 1932 O ALA A 126 0.523 12.822 1.324 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.351 14.141 0.954 1.00 15.90 C ATOM 0 H ALA A 126 -3.106 12.845 -1.005 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.723 14.200 -0.428 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.799 14.627 1.758 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.921 14.888 0.402 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -3.034 13.404 1.377 1.00 15.90 H new ATOM 1939 N ASP A 127 -0.977 11.217 0.860 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.232 10.173 1.555 1.00 13.28 C ATOM 1941 C ASP A 127 1.083 9.907 0.832 1.00 12.77 C ATOM 1942 O ASP A 127 2.104 9.617 1.456 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.057 8.888 1.650 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.912 8.836 2.901 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -1.455 9.303 3.967 1.00 13.24 O ATOM 1946 OD2 ASP A 127 -3.055 8.342 2.827 1.00 13.51 O ATOM 0 H ASP A 127 -1.852 10.904 0.439 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.019 10.514 2.568 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -1.698 8.806 0.772 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.387 8.028 1.636 1.00 12.65 H new ATOM 1951 N ALA A 128 1.056 10.051 -0.486 1.00 12.51 N ATOM 1952 CA ALA A 128 2.251 9.890 -1.301 1.00 12.26 C ATOM 1953 C ALA A 128 3.090 11.158 -1.242 1.00 13.19 C ATOM 1954 O ALA A 128 4.314 11.108 -1.157 1.00 13.28 O ATOM 1955 CB ALA A 128 1.876 9.573 -2.740 1.00 11.90 C ATOM 0 H ALA A 128 0.215 10.280 -1.015 1.00 12.51 H new ATOM 0 HA ALA A 128 2.835 9.058 -0.908 1.00 12.26 H new ATOM 0 HB1 ALA A 128 2.782 9.456 -3.335 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.300 8.648 -2.771 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.277 10.387 -3.148 1.00 11.90 H new ATOM 1961 N LEU A 129 2.412 12.296 -1.277 1.00 13.95 N ATOM 1962 CA LEU A 129 3.075 13.588 -1.159 1.00 15.01 C ATOM 1963 C LEU A 129 3.847 13.654 0.154 1.00 15.35 C ATOM 1964 O LEU A 129 5.008 14.068 0.190 1.00 15.80 O ATOM 1965 CB LEU A 129 2.050 14.721 -1.230 1.00 15.79 C ATOM 1966 CG LEU A 129 2.623 16.125 -1.026 1.00 17.00 C ATOM 1967 CD1 LEU A 129 2.270 17.020 -2.202 1.00 17.52 C ATOM 1968 CD2 LEU A 129 2.111 16.720 0.277 1.00 17.74 C ATOM 0 H LEU A 129 1.399 12.351 -1.387 1.00 13.95 H new ATOM 0 HA LEU A 129 3.774 13.704 -1.988 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.556 14.684 -2.201 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.283 14.545 -0.476 1.00 15.79 H new ATOM 0 HG LEU A 129 3.709 16.053 -0.968 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.686 18.015 -2.040 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.685 16.598 -3.118 1.00 17.52 H new ATOM 0 HD13 LEU A 129 1.186 17.090 -2.293 1.00 17.52 H new ATOM 0 HD21 LEU A 129 2.527 17.719 0.409 1.00 17.74 H new ATOM 0 HD22 LEU A 129 1.023 16.781 0.246 1.00 17.74 H new ATOM 0 HD23 LEU A 129 2.416 16.087 1.110 1.00 17.74 H new ATOM 1980 N LYS A 130 3.198 13.216 1.222 1.00 15.21 N ATOM 1981 CA LYS A 130 3.824 13.152 2.532 1.00 15.60 C ATOM 1982 C LYS A 130 4.999 12.179 2.510 1.00 14.90 C ATOM 1983 O LYS A 130 6.065 12.469 3.048 1.00 15.34 O ATOM 1984 CB LYS A 130 2.791 12.725 3.584 1.00 15.68 C ATOM 1985 CG LYS A 130 3.361 11.880 4.713 1.00 15.55 C ATOM 1986 CD LYS A 130 2.453 10.705 5.042 1.00 15.23 C ATOM 1987 CE LYS A 130 1.135 11.173 5.639 1.00 15.09 C ATOM 1988 NZ LYS A 130 0.209 10.041 5.902 1.00 15.23 N ATOM 0 H LYS A 130 2.229 12.897 1.205 1.00 15.21 H new ATOM 0 HA LYS A 130 4.202 14.140 2.793 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.333 13.618 4.010 1.00 15.68 H new ATOM 0 HB3 LYS A 130 1.998 12.164 3.090 1.00 15.68 H new ATOM 0 HG2 LYS A 130 4.347 11.511 4.431 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.494 12.498 5.601 1.00 15.55 H new ATOM 0 HD2 LYS A 130 2.260 10.128 4.138 1.00 15.23 H new ATOM 0 HD3 LYS A 130 2.956 10.040 5.744 1.00 15.23 H new ATOM 0 HE2 LYS A 130 1.328 11.707 6.569 1.00 15.09 H new ATOM 0 HE3 LYS A 130 0.660 11.880 4.959 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 -0.203 10.143 6.851 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 -0.551 10.042 5.192 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.733 9.144 5.847 1.00 15.23 H new ATOM 2002 N ALA A 131 4.803 11.034 1.869 1.00 13.87 N ATOM 2003 CA ALA A 131 5.838 10.009 1.801 1.00 13.19 C ATOM 2004 C ALA A 131 7.056 10.494 1.022 1.00 13.49 C ATOM 2005 O ALA A 131 8.187 10.181 1.379 1.00 13.49 O ATOM 2006 CB ALA A 131 5.289 8.727 1.189 1.00 12.14 C ATOM 0 H ALA A 131 3.937 10.791 1.388 1.00 13.87 H new ATOM 0 HA ALA A 131 6.158 9.798 2.821 1.00 13.19 H new ATOM 0 HB1 ALA A 131 6.078 7.976 1.148 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.466 8.356 1.800 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.929 8.930 0.180 1.00 12.14 H new ATOM 2012 N MET A 132 6.835 11.273 -0.030 1.00 13.87 N ATOM 2013 CA MET A 132 7.937 11.776 -0.837 1.00 14.40 C ATOM 2014 C MET A 132 8.640 12.930 -0.137 1.00 15.49 C ATOM 2015 O MET A 132 9.795 13.224 -0.426 1.00 16.00 O ATOM 2016 CB MET A 132 7.447 12.204 -2.228 1.00 14.59 C ATOM 2017 CG MET A 132 6.874 13.612 -2.290 1.00 15.65 C ATOM 2018 SD MET A 132 6.510 14.139 -3.977 1.00 16.00 S ATOM 2019 CE MET A 132 4.957 13.293 -4.271 1.00 15.55 C ATOM 0 H MET A 132 5.910 11.568 -0.342 1.00 13.87 H new ATOM 0 HA MET A 132 8.656 10.967 -0.964 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.278 12.132 -2.930 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.685 11.500 -2.563 1.00 14.59 H new ATOM 0 HG2 MET A 132 5.962 13.656 -1.695 1.00 15.65 H new ATOM 0 HG3 MET A 132 7.582 14.308 -1.840 1.00 15.65 H new ATOM 0 HE1 MET A 132 4.934 12.920 -5.295 1.00 15.55 H new ATOM 0 HE2 MET A 132 4.861 12.457 -3.578 1.00 15.55 H new ATOM 0 HE3 MET A 132 4.130 13.987 -4.119 1.00 15.55 H new ATOM 2029 N LYS A 133 7.935 13.593 0.775 1.00 15.95 N ATOM 2030 CA LYS A 133 8.518 14.691 1.528 1.00 17.04 C ATOM 2031 C LYS A 133 9.240 14.184 2.772 1.00 16.95 C ATOM 2032 O LYS A 133 10.366 14.589 3.061 1.00 17.55 O ATOM 2033 CB LYS A 133 7.427 15.685 1.933 1.00 17.76 C ATOM 2034 CG LYS A 133 7.426 16.961 1.107 1.00 18.70 C ATOM 2035 CD LYS A 133 6.893 16.721 -0.296 1.00 18.27 C ATOM 2036 CE LYS A 133 6.207 17.959 -0.850 1.00 18.99 C ATOM 2037 NZ LYS A 133 7.064 18.682 -1.825 1.00 19.60 N ATOM 0 H LYS A 133 6.963 13.388 1.008 1.00 15.95 H new ATOM 0 HA LYS A 133 9.246 15.190 0.889 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.455 15.202 1.840 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.555 15.943 2.984 1.00 17.76 H new ATOM 0 HG2 LYS A 133 6.816 17.716 1.604 1.00 18.70 H new ATOM 0 HG3 LYS A 133 8.440 17.358 1.049 1.00 18.70 H new ATOM 0 HD2 LYS A 133 7.713 16.433 -0.954 1.00 18.27 H new ATOM 0 HD3 LYS A 133 6.189 15.889 -0.282 1.00 18.27 H new ATOM 0 HE2 LYS A 133 5.273 17.670 -1.333 1.00 18.99 H new ATOM 0 HE3 LYS A 133 5.948 18.628 -0.029 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 6.558 19.519 -2.178 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 7.944 18.980 -1.359 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 7.290 18.053 -2.622 1.00 19.60 H new ATOM 2051 N GLN A 134 8.579 13.302 3.504 1.00 16.27 N ATOM 2052 CA GLN A 134 9.094 12.830 4.783 1.00 16.27 C ATOM 2053 C GLN A 134 9.955 11.580 4.634 1.00 15.45 C ATOM 2054 O GLN A 134 11.080 11.535 5.132 1.00 15.79 O ATOM 2055 CB GLN A 134 7.936 12.558 5.746 1.00 16.14 C ATOM 2056 CG GLN A 134 7.725 13.657 6.777 1.00 17.25 C ATOM 2057 CD GLN A 134 7.858 15.052 6.191 1.00 18.04 C ATOM 2058 OE1 GLN A 134 8.936 15.649 6.213 1.00 18.75 O ATOM 2059 NE2 GLN A 134 6.764 15.584 5.668 1.00 18.01 N ATOM 0 H GLN A 134 7.682 12.897 3.235 1.00 16.27 H new ATOM 0 HA GLN A 134 9.731 13.617 5.187 1.00 16.27 H new ATOM 0 HB2 GLN A 134 7.019 12.431 5.171 1.00 16.14 H new ATOM 0 HB3 GLN A 134 8.120 11.617 6.264 1.00 16.14 H new ATOM 0 HG2 GLN A 134 6.735 13.547 7.220 1.00 17.25 H new ATOM 0 HG3 GLN A 134 8.449 13.536 7.582 1.00 17.25 H new ATOM 0 HE21 GLN A 134 5.890 15.058 5.669 1.00 18.01 H new ATOM 0 HE22 GLN A 134 6.795 16.520 5.264 1.00 18.01 H new ATOM 2068 N TYR A 135 9.432 10.568 3.953 1.00 14.42 N ATOM 2069 CA TYR A 135 10.135 9.294 3.836 1.00 13.63 C ATOM 2070 C TYR A 135 11.264 9.382 2.815 1.00 13.70 C ATOM 2071 O TYR A 135 12.418 9.102 3.129 1.00 13.69 O ATOM 2072 CB TYR A 135 9.161 8.178 3.449 1.00 12.62 C ATOM 2073 CG TYR A 135 9.456 6.839 4.093 1.00 12.47 C ATOM 2074 CD1 TYR A 135 10.636 6.637 4.791 1.00 12.60 C ATOM 2075 CD2 TYR A 135 8.560 5.779 4.003 1.00 12.42 C ATOM 2076 CE1 TYR A 135 10.920 5.422 5.384 1.00 12.68 C ATOM 2077 CE2 TYR A 135 8.836 4.559 4.592 1.00 12.52 C ATOM 2078 CZ TYR A 135 9.981 4.372 5.271 1.00 12.67 C ATOM 2079 OH TYR A 135 10.295 3.175 5.871 1.00 12.97 O ATOM 0 H TYR A 135 8.531 10.602 3.476 1.00 14.42 H new ATOM 0 HA TYR A 135 10.570 9.061 4.808 1.00 13.63 H new ATOM 0 HB2 TYR A 135 8.151 8.484 3.721 1.00 12.62 H new ATOM 0 HB3 TYR A 135 9.177 8.058 2.366 1.00 12.62 H new ATOM 0 HD1 TYR A 135 11.348 7.445 4.873 1.00 12.60 H new ATOM 0 HD2 TYR A 135 7.633 5.911 3.464 1.00 12.42 H new ATOM 0 HE1 TYR A 135 11.844 5.277 5.925 1.00 12.68 H new ATOM 0 HE2 TYR A 135 8.126 3.750 4.506 1.00 12.52 H new ATOM 0 HH TYR A 135 9.569 2.534 5.723 1.00 12.97 H new ATOM 2089 N LYS A 136 10.927 9.767 1.590 1.00 13.88 N ATOM 2090 CA LYS A 136 11.914 9.833 0.522 1.00 14.15 C ATOM 2091 C LYS A 136 13.002 10.848 0.852 1.00 15.09 C ATOM 2092 O LYS A 136 12.738 12.046 0.949 1.00 15.85 O ATOM 2093 CB LYS A 136 11.245 10.195 -0.806 1.00 14.36 C ATOM 2094 CG LYS A 136 12.214 10.245 -1.976 1.00 14.69 C ATOM 2095 CD LYS A 136 11.754 11.225 -3.044 1.00 15.46 C ATOM 2096 CE LYS A 136 11.851 10.621 -4.436 1.00 15.93 C ATOM 2097 NZ LYS A 136 12.724 11.423 -5.333 1.00 16.56 N ATOM 0 H LYS A 136 9.983 10.037 1.313 1.00 13.88 H new ATOM 0 HA LYS A 136 12.374 8.850 0.427 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.464 9.466 -1.022 1.00 14.36 H new ATOM 0 HB3 LYS A 136 10.757 11.165 -0.706 1.00 14.36 H new ATOM 0 HG2 LYS A 136 13.202 10.534 -1.618 1.00 14.69 H new ATOM 0 HG3 LYS A 136 12.311 9.251 -2.412 1.00 14.69 H new ATOM 0 HD2 LYS A 136 10.724 11.522 -2.847 1.00 15.46 H new ATOM 0 HD3 LYS A 136 12.362 12.129 -2.996 1.00 15.46 H new ATOM 0 HE2 LYS A 136 12.241 9.606 -4.364 1.00 15.93 H new ATOM 0 HE3 LYS A 136 10.854 10.549 -4.870 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 12.762 10.976 -6.271 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 12.339 12.385 -5.423 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 13.683 11.470 -4.933 1.00 16.56 H new ATOM 2111 N GLY A 137 14.220 10.359 1.033 1.00 15.10 N ATOM 2112 CA GLY A 137 15.332 11.231 1.337 1.00 15.97 C ATOM 2113 C GLY A 137 15.992 10.847 2.643 1.00 15.85 C ATOM 2114 O GLY A 137 17.081 11.323 2.966 1.00 16.53 O ATOM 0 H GLY A 137 14.457 9.369 0.974 1.00 15.10 H new ATOM 0 HA2 GLY A 137 16.064 11.185 0.530 1.00 15.97 H new ATOM 0 HA3 GLY A 137 14.983 12.262 1.393 1.00 15.97 H new ATOM 2118 N VAL A 138 15.329 9.978 3.394 1.00 15.06 N ATOM 2119 CA VAL A 138 15.835 9.538 4.688 1.00 15.00 C ATOM 2120 C VAL A 138 17.034 8.599 4.539 1.00 14.61 C ATOM 2121 O VAL A 138 16.988 7.602 3.811 1.00 13.92 O ATOM 2122 CB VAL A 138 14.725 8.859 5.539 1.00 14.53 C ATOM 2123 CG1 VAL A 138 14.304 7.516 4.956 1.00 14.37 C ATOM 2124 CG2 VAL A 138 15.177 8.698 6.982 1.00 14.92 C ATOM 0 H VAL A 138 14.436 9.562 3.128 1.00 15.06 H new ATOM 0 HA VAL A 138 16.167 10.434 5.212 1.00 15.00 H new ATOM 0 HB VAL A 138 13.853 9.513 5.517 1.00 14.53 H new ATOM 0 HG11 VAL A 138 13.527 7.076 5.581 1.00 14.37 H new ATOM 0 HG12 VAL A 138 13.919 7.662 3.947 1.00 14.37 H new ATOM 0 HG13 VAL A 138 15.165 6.848 4.923 1.00 14.37 H new ATOM 0 HG21 VAL A 138 14.386 8.221 7.560 1.00 14.92 H new ATOM 0 HG22 VAL A 138 16.074 8.080 7.015 1.00 14.92 H new ATOM 0 HG23 VAL A 138 15.396 9.678 7.406 1.00 14.92 H new ATOM 2134 N PRO A 139 18.152 8.952 5.189 1.00 15.15 N ATOM 2135 CA PRO A 139 19.299 8.067 5.324 1.00 14.91 C ATOM 2136 C PRO A 139 18.995 6.983 6.341 1.00 14.45 C ATOM 2137 O PRO A 139 18.757 7.277 7.514 1.00 14.71 O ATOM 2138 CB PRO A 139 20.427 8.982 5.828 1.00 15.76 C ATOM 2139 CG PRO A 139 19.884 10.374 5.756 1.00 16.48 C ATOM 2140 CD PRO A 139 18.392 10.243 5.839 1.00 16.12 C ATOM 0 HA PRO A 139 19.561 7.564 4.393 1.00 14.91 H new ATOM 0 HB2 PRO A 139 20.712 8.726 6.848 1.00 15.76 H new ATOM 0 HB3 PRO A 139 21.320 8.878 5.212 1.00 15.76 H new ATOM 0 HG2 PRO A 139 20.268 10.985 6.573 1.00 16.48 H new ATOM 0 HG3 PRO A 139 20.181 10.861 4.827 1.00 16.48 H new ATOM 0 HD2 PRO A 139 18.041 10.250 6.871 1.00 16.12 H new ATOM 0 HD3 PRO A 139 17.883 11.058 5.324 1.00 16.12 H new ATOM 2148 N LEU A 140 18.990 5.736 5.908 1.00 13.94 N ATOM 2149 CA LEU A 140 18.556 4.658 6.765 1.00 13.62 C ATOM 2150 C LEU A 140 19.620 3.582 6.789 1.00 13.69 C ATOM 2151 O LEU A 140 19.940 2.998 5.750 1.00 13.37 O ATOM 2152 CB LEU A 140 17.227 4.081 6.276 1.00 12.88 C ATOM 2153 CG LEU A 140 16.258 3.662 7.382 1.00 12.84 C ATOM 2154 CD1 LEU A 140 15.483 4.864 7.898 1.00 13.08 C ATOM 2155 CD2 LEU A 140 15.306 2.589 6.878 1.00 12.35 C ATOM 0 H LEU A 140 19.280 5.449 4.973 1.00 13.94 H new ATOM 0 HA LEU A 140 18.405 5.042 7.774 1.00 13.62 H new ATOM 0 HB2 LEU A 140 16.736 4.823 5.646 1.00 12.88 H new ATOM 0 HB3 LEU A 140 17.434 3.215 5.647 1.00 12.88 H new ATOM 0 HG LEU A 140 16.837 3.248 8.207 1.00 12.84 H new ATOM 0 HD11 LEU A 140 14.799 4.545 8.684 1.00 13.08 H new ATOM 0 HD12 LEU A 140 16.179 5.601 8.299 1.00 13.08 H new ATOM 0 HD13 LEU A 140 14.915 5.309 7.081 1.00 13.08 H new ATOM 0 HD21 LEU A 140 14.624 2.303 7.678 1.00 12.35 H new ATOM 0 HD22 LEU A 140 14.734 2.977 6.035 1.00 12.35 H new ATOM 0 HD23 LEU A 140 15.877 1.717 6.559 1.00 12.35 H new ATOM 2167 N ASP A 141 20.153 3.322 7.973 1.00 14.24 N ATOM 2168 CA ASP A 141 21.284 2.419 8.139 1.00 14.50 C ATOM 2169 C ASP A 141 22.425 2.794 7.196 1.00 14.65 C ATOM 2170 O ASP A 141 22.664 2.133 6.184 1.00 14.60 O ATOM 2171 CB ASP A 141 20.863 0.962 7.908 1.00 14.25 C ATOM 2172 CG ASP A 141 22.011 -0.007 8.111 1.00 14.67 C ATOM 2173 OD1 ASP A 141 22.843 0.227 9.012 1.00 14.68 O ATOM 2174 OD2 ASP A 141 22.095 -1.002 7.363 1.00 15.08 O ATOM 0 H ASP A 141 19.815 3.730 8.845 1.00 14.24 H new ATOM 0 HA ASP A 141 21.637 2.517 9.165 1.00 14.50 H new ATOM 0 HB2 ASP A 141 20.051 0.708 8.590 1.00 14.25 H new ATOM 0 HB3 ASP A 141 20.474 0.855 6.895 1.00 14.25 H new ATOM 2179 N GLY A 142 23.101 3.888 7.493 1.00 14.99 N ATOM 2180 CA GLY A 142 24.284 4.236 6.744 1.00 15.30 C ATOM 2181 C GLY A 142 24.001 5.176 5.594 1.00 15.13 C ATOM 2182 O GLY A 142 24.583 6.260 5.518 1.00 15.53 O ATOM 0 H GLY A 142 22.853 4.540 8.237 1.00 14.99 H new ATOM 0 HA2 GLY A 142 25.008 4.699 7.414 1.00 15.30 H new ATOM 0 HA3 GLY A 142 24.743 3.326 6.358 1.00 15.30 H new ATOM 2186 N ARG A 143 23.114 4.777 4.692 1.00 14.64 N ATOM 2187 CA ARG A 143 22.867 5.549 3.482 1.00 14.58 C ATOM 2188 C ARG A 143 21.373 5.762 3.264 1.00 14.18 C ATOM 2189 O ARG A 143 20.558 4.982 3.754 1.00 13.64 O ATOM 2190 CB ARG A 143 23.485 4.826 2.274 1.00 14.55 C ATOM 2191 CG ARG A 143 22.547 3.841 1.583 1.00 14.62 C ATOM 2192 CD ARG A 143 22.708 2.431 2.131 1.00 15.01 C ATOM 2193 NE ARG A 143 21.699 2.113 3.143 1.00 15.55 N ATOM 2194 CZ ARG A 143 21.271 0.877 3.410 1.00 16.06 C ATOM 2195 NH1 ARG A 143 21.712 -0.155 2.703 1.00 16.09 N ATOM 2196 NH2 ARG A 143 20.392 0.675 4.380 1.00 16.66 N ATOM 0 H ARG A 143 22.556 3.927 4.775 1.00 14.64 H new ATOM 0 HA ARG A 143 23.332 6.529 3.593 1.00 14.58 H new ATOM 0 HB2 ARG A 143 23.810 5.571 1.547 1.00 14.55 H new ATOM 0 HB3 ARG A 143 24.376 4.291 2.603 1.00 14.55 H new ATOM 0 HG2 ARG A 143 21.515 4.167 1.715 1.00 14.62 H new ATOM 0 HG3 ARG A 143 22.746 3.840 0.511 1.00 14.62 H new ATOM 0 HD2 ARG A 143 22.638 1.715 1.313 1.00 15.01 H new ATOM 0 HD3 ARG A 143 23.702 2.323 2.565 1.00 15.01 H new ATOM 0 HE ARG A 143 21.298 2.884 3.677 1.00 15.55 H new ATOM 0 HH11 ARG A 143 22.383 -0.007 1.949 1.00 16.09 H new ATOM 0 HH12 ARG A 143 21.380 -1.096 2.913 1.00 16.09 H new ATOM 0 HH21 ARG A 143 20.042 1.464 4.923 1.00 16.66 H new ATOM 0 HH22 ARG A 143 20.065 -0.270 4.584 1.00 16.66 H new ATOM 2210 N PRO A 144 20.995 6.836 2.548 1.00 14.56 N ATOM 2211 CA PRO A 144 19.598 7.097 2.192 1.00 14.25 C ATOM 2212 C PRO A 144 18.966 5.924 1.448 1.00 13.50 C ATOM 2213 O PRO A 144 19.516 5.433 0.458 1.00 13.51 O ATOM 2214 CB PRO A 144 19.680 8.327 1.282 1.00 15.09 C ATOM 2215 CG PRO A 144 20.959 8.992 1.653 1.00 15.66 C ATOM 2216 CD PRO A 144 21.899 7.885 2.041 1.00 15.41 C ATOM 0 HA PRO A 144 18.975 7.248 3.073 1.00 14.25 H new ATOM 0 HB2 PRO A 144 19.674 8.042 0.230 1.00 15.09 H new ATOM 0 HB3 PRO A 144 18.830 8.991 1.437 1.00 15.09 H new ATOM 0 HG2 PRO A 144 21.357 9.568 0.817 1.00 15.66 H new ATOM 0 HG3 PRO A 144 20.813 9.688 2.479 1.00 15.66 H new ATOM 0 HD2 PRO A 144 22.483 7.536 1.189 1.00 15.41 H new ATOM 0 HD3 PRO A 144 22.608 8.208 2.803 1.00 15.41 H new ATOM 2224 N MET A 145 17.818 5.476 1.935 1.00 12.97 N ATOM 2225 CA MET A 145 17.120 4.351 1.324 1.00 12.29 C ATOM 2226 C MET A 145 16.387 4.806 0.065 1.00 12.48 C ATOM 2227 O MET A 145 16.283 6.007 -0.203 1.00 13.04 O ATOM 2228 CB MET A 145 16.143 3.714 2.320 1.00 11.64 C ATOM 2229 CG MET A 145 14.887 4.534 2.569 1.00 11.69 C ATOM 2230 SD MET A 145 13.746 3.730 3.711 1.00 11.33 S ATOM 2231 CE MET A 145 12.940 2.564 2.614 1.00 11.40 C ATOM 0 H MET A 145 17.350 5.872 2.750 1.00 12.97 H new ATOM 0 HA MET A 145 17.856 3.597 1.043 1.00 12.29 H new ATOM 0 HB2 MET A 145 15.854 2.730 1.950 1.00 11.64 H new ATOM 0 HB3 MET A 145 16.657 3.560 3.269 1.00 11.64 H new ATOM 0 HG2 MET A 145 15.168 5.509 2.968 1.00 11.69 H new ATOM 0 HG3 MET A 145 14.380 4.712 1.621 1.00 11.69 H new ATOM 0 HE1 MET A 145 11.875 2.789 2.563 1.00 11.40 H new ATOM 0 HE2 MET A 145 13.375 2.642 1.618 1.00 11.40 H new ATOM 0 HE3 MET A 145 13.080 1.552 2.993 1.00 11.40 H new ATOM 2241 N ASP A 146 15.872 3.855 -0.698 1.00 12.13 N ATOM 2242 CA ASP A 146 15.252 4.197 -1.965 1.00 12.38 C ATOM 2243 C ASP A 146 13.743 4.174 -1.872 1.00 11.73 C ATOM 2244 O ASP A 146 13.143 3.188 -1.447 1.00 11.11 O ATOM 2245 CB ASP A 146 15.728 3.286 -3.087 1.00 12.64 C ATOM 2246 CG ASP A 146 15.916 4.048 -4.383 1.00 13.31 C ATOM 2247 OD1 ASP A 146 15.689 5.275 -4.396 1.00 13.51 O ATOM 2248 OD2 ASP A 146 16.289 3.422 -5.401 1.00 13.71 O ATOM 0 H ASP A 146 15.870 2.861 -0.468 1.00 12.13 H new ATOM 0 HA ASP A 146 15.561 5.215 -2.201 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.669 2.817 -2.801 1.00 12.64 H new ATOM 0 HB3 ASP A 146 15.005 2.485 -3.237 1.00 12.64 H new ATOM 2253 N ILE A 147 13.147 5.299 -2.241 1.00 11.99 N ATOM 2254 CA ILE A 147 11.706 5.463 -2.260 1.00 11.55 C ATOM 2255 C ILE A 147 11.333 6.501 -3.310 1.00 12.03 C ATOM 2256 O ILE A 147 12.067 7.466 -3.522 1.00 12.66 O ATOM 2257 CB ILE A 147 11.145 5.905 -0.887 1.00 11.54 C ATOM 2258 CG1 ILE A 147 12.270 6.452 0.006 1.00 12.01 C ATOM 2259 CG2 ILE A 147 10.422 4.745 -0.216 1.00 10.85 C ATOM 2260 CD1 ILE A 147 12.030 6.272 1.490 1.00 11.93 C ATOM 0 H ILE A 147 13.658 6.130 -2.538 1.00 11.99 H new ATOM 0 HA ILE A 147 11.268 4.494 -2.499 1.00 11.55 H new ATOM 0 HB ILE A 147 10.425 6.708 -1.043 1.00 11.54 H new ATOM 0 HG12 ILE A 147 13.204 5.957 -0.262 1.00 12.01 H new ATOM 0 HG13 ILE A 147 12.400 7.514 -0.203 1.00 12.01 H new ATOM 0 HG21 ILE A 147 10.032 5.069 0.749 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.598 4.415 -0.848 1.00 10.85 H new ATOM 0 HG23 ILE A 147 11.118 3.919 -0.068 1.00 10.85 H new ATOM 0 HD11 ILE A 147 12.871 6.685 2.047 1.00 11.93 H new ATOM 0 HD12 ILE A 147 11.115 6.791 1.776 1.00 11.93 H new ATOM 0 HD13 ILE A 147 11.931 5.210 1.716 1.00 11.93 H new ATOM 2272 N GLN A 148 10.200 6.305 -3.961 1.00 11.86 N ATOM 2273 CA GLN A 148 9.773 7.184 -5.040 1.00 12.36 C ATOM 2274 C GLN A 148 8.262 7.305 -5.028 1.00 11.92 C ATOM 2275 O GLN A 148 7.565 6.316 -4.838 1.00 11.28 O ATOM 2276 CB GLN A 148 10.240 6.644 -6.393 1.00 12.71 C ATOM 2277 CG GLN A 148 11.723 6.835 -6.654 1.00 13.36 C ATOM 2278 CD GLN A 148 12.015 7.180 -8.097 1.00 13.82 C ATOM 2279 OE1 GLN A 148 11.649 8.253 -8.577 1.00 14.37 O ATOM 2280 NE2 GLN A 148 12.681 6.279 -8.796 1.00 13.78 N ATOM 0 H GLN A 148 9.555 5.541 -3.761 1.00 11.86 H new ATOM 0 HA GLN A 148 10.219 8.167 -4.888 1.00 12.36 H new ATOM 0 HB2 GLN A 148 10.005 5.581 -6.449 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.676 7.137 -7.184 1.00 12.71 H new ATOM 0 HG2 GLN A 148 12.103 7.628 -6.010 1.00 13.36 H new ATOM 0 HG3 GLN A 148 12.257 5.923 -6.386 1.00 13.36 H new ATOM 0 HE21 GLN A 148 12.965 5.402 -8.359 1.00 13.78 H new ATOM 0 HE22 GLN A 148 12.911 6.460 -9.773 1.00 13.78 H new ATOM 2289 N LEU A 149 7.750 8.504 -5.217 1.00 12.38 N ATOM 2290 CA LEU A 149 6.318 8.711 -5.157 1.00 12.11 C ATOM 2291 C LEU A 149 5.786 9.258 -6.469 1.00 12.57 C ATOM 2292 O LEU A 149 6.065 10.396 -6.845 1.00 13.35 O ATOM 2293 CB LEU A 149 5.966 9.657 -4.009 1.00 12.48 C ATOM 2294 CG LEU A 149 5.770 8.981 -2.650 1.00 12.21 C ATOM 2295 CD1 LEU A 149 4.862 7.773 -2.781 1.00 11.94 C ATOM 2296 CD2 LEU A 149 7.108 8.584 -2.046 1.00 12.16 C ATOM 0 H LEU A 149 8.298 9.342 -5.412 1.00 12.38 H new ATOM 0 HA LEU A 149 5.846 7.745 -4.978 1.00 12.11 H new ATOM 0 HB2 LEU A 149 6.757 10.402 -3.917 1.00 12.48 H new ATOM 0 HB3 LEU A 149 5.052 10.192 -4.267 1.00 12.48 H new ATOM 0 HG LEU A 149 5.294 9.697 -1.979 1.00 12.21 H new ATOM 0 HD11 LEU A 149 4.735 7.306 -1.804 1.00 11.94 H new ATOM 0 HD12 LEU A 149 3.890 8.088 -3.162 1.00 11.94 H new ATOM 0 HD13 LEU A 149 5.307 7.056 -3.471 1.00 11.94 H new ATOM 0 HD21 LEU A 149 6.944 8.105 -1.081 1.00 12.16 H new ATOM 0 HD22 LEU A 149 7.617 7.889 -2.714 1.00 12.16 H new ATOM 0 HD23 LEU A 149 7.724 9.473 -1.910 1.00 12.16 H new ATOM 2308 N VAL A 150 5.012 8.440 -7.157 1.00 12.18 N ATOM 2309 CA VAL A 150 4.365 8.870 -8.381 1.00 12.66 C ATOM 2310 C VAL A 150 2.890 9.138 -8.097 1.00 12.39 C ATOM 2311 O VAL A 150 2.085 8.219 -7.916 1.00 11.73 O ATOM 2312 CB VAL A 150 4.555 7.862 -9.549 1.00 12.72 C ATOM 2313 CG1 VAL A 150 4.571 6.429 -9.051 1.00 13.21 C ATOM 2314 CG2 VAL A 150 3.492 8.051 -10.625 1.00 12.72 C ATOM 0 H VAL A 150 4.816 7.475 -6.889 1.00 12.18 H new ATOM 0 HA VAL A 150 4.842 9.791 -8.715 1.00 12.66 H new ATOM 0 HB VAL A 150 5.527 8.069 -9.998 1.00 12.72 H new ATOM 0 HG11 VAL A 150 4.706 5.752 -9.895 1.00 13.21 H new ATOM 0 HG12 VAL A 150 5.392 6.298 -8.346 1.00 13.21 H new ATOM 0 HG13 VAL A 150 3.627 6.206 -8.554 1.00 13.21 H new ATOM 0 HG21 VAL A 150 3.654 7.331 -11.427 1.00 12.72 H new ATOM 0 HG22 VAL A 150 2.504 7.896 -10.192 1.00 12.72 H new ATOM 0 HG23 VAL A 150 3.557 9.062 -11.027 1.00 12.72 H new ATOM 2324 N ALA A 151 2.581 10.426 -8.032 1.00 13.01 N ATOM 2325 CA ALA A 151 1.264 10.924 -7.653 1.00 12.96 C ATOM 2326 C ALA A 151 1.309 12.443 -7.615 1.00 13.33 C ATOM 2327 O ALA A 151 0.739 13.077 -6.728 1.00 13.35 O ATOM 2328 CB ALA A 151 0.835 10.376 -6.296 1.00 12.65 C ATOM 0 H ALA A 151 3.249 11.167 -8.245 1.00 13.01 H new ATOM 0 HA ALA A 151 0.532 10.589 -8.388 1.00 12.96 H new ATOM 0 HB1 ALA A 151 -0.151 10.765 -6.041 1.00 12.65 H new ATOM 0 HB2 ALA A 151 0.795 9.288 -6.339 1.00 12.65 H new ATOM 0 HB3 ALA A 151 1.554 10.683 -5.536 1.00 12.65 H new