USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot -59:sc= 0.149 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.66) USER MOD Single : A 41 THR OG1 : rot 45:sc= 0.0222 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -25:sc= 0.0771 USER MOD Single : A 52 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 58 ASN : amide:sc=-0.00382 X(o=-0.0038,f=-0.081) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -129:sc= -0.034 (180deg=-0.519) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -44:sc= 0.877 USER MOD Single : A 71 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.43 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 177:sc= 0.768 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -7.027 -12.103 -6.316 1.00 0.00 N ATOM 110 CA PRO A 11 -8.383 -11.873 -6.825 1.00 0.00 C ATOM 111 C PRO A 11 -8.432 -10.749 -7.854 1.00 0.00 C ATOM 112 O PRO A 11 -9.139 -10.844 -8.858 1.00 0.00 O ATOM 113 CB PRO A 11 -9.172 -11.486 -5.572 1.00 0.00 C ATOM 114 CG PRO A 11 -8.153 -10.928 -4.640 1.00 0.00 C ATOM 115 CD PRO A 11 -6.884 -11.688 -4.910 1.00 0.00 C ATOM 0 HA PRO A 11 -8.779 -12.748 -7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.943 -10.751 -5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.674 -12.350 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.012 -9.861 -4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.466 -11.047 -3.603 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.003 -11.064 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.781 -12.546 -4.246 1.00 0.00 H new ATOM 123 N ARG A 12 -7.678 -9.685 -7.599 1.00 0.00 N ATOM 124 CA ARG A 12 -7.637 -8.542 -8.503 1.00 0.00 C ATOM 125 C ARG A 12 -6.234 -7.945 -8.561 1.00 0.00 C ATOM 126 O ARG A 12 -5.305 -8.452 -7.932 1.00 0.00 O ATOM 127 CB ARG A 12 -8.639 -7.476 -8.057 1.00 0.00 C ATOM 128 CG ARG A 12 -10.081 -7.813 -8.402 1.00 0.00 C ATOM 129 CD ARG A 12 -10.385 -7.529 -9.864 1.00 0.00 C ATOM 130 NE ARG A 12 -11.713 -8.000 -10.249 1.00 0.00 N ATOM 131 CZ ARG A 12 -12.142 -8.043 -11.505 1.00 0.00 C ATOM 132 NH1 ARG A 12 -11.353 -7.645 -12.493 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.364 -8.484 -11.775 1.00 0.00 N ATOM 0 H ARG A 12 -7.087 -9.591 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.907 -8.889 -9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.555 -7.339 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.376 -6.525 -8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.271 -8.865 -8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.753 -7.232 -7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.313 -6.457 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.634 -8.010 -10.490 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.346 -8.313 -9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.413 -7.304 -12.290 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.686 -7.679 -13.457 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.975 -8.790 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.693 -8.517 -12.740 1.00 0.00 H new ATOM 147 N HIS A 13 -6.088 -6.864 -9.320 1.00 0.00 N ATOM 148 CA HIS A 13 -4.799 -6.197 -9.461 1.00 0.00 C ATOM 149 C HIS A 13 -4.795 -4.861 -8.723 1.00 0.00 C ATOM 150 O HIS A 13 -5.840 -4.231 -8.553 1.00 0.00 O ATOM 151 CB HIS A 13 -4.472 -5.978 -10.938 1.00 0.00 C ATOM 152 CG HIS A 13 -3.868 -7.177 -11.602 1.00 0.00 C ATOM 153 ND1 HIS A 13 -4.463 -8.421 -11.594 1.00 0.00 N ATOM 154 CD2 HIS A 13 -2.716 -7.317 -12.299 1.00 0.00 C ATOM 155 CE1 HIS A 13 -3.703 -9.275 -12.255 1.00 0.00 C ATOM 156 NE2 HIS A 13 -2.637 -8.630 -12.694 1.00 0.00 N ATOM 0 H HIS A 13 -6.847 -6.431 -9.847 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.036 -6.838 -9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.384 -5.701 -11.466 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.784 -5.138 -11.029 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.994 -6.541 -12.506 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.917 -10.322 -12.410 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -1.878 -9.041 -13.238 1.00 0.00 H new ATOM 165 N LEU A 14 -3.615 -4.434 -8.288 1.00 0.00 N ATOM 166 CA LEU A 14 -3.475 -3.173 -7.568 1.00 0.00 C ATOM 167 C LEU A 14 -3.138 -2.034 -8.525 1.00 0.00 C ATOM 168 O LEU A 14 -2.866 -2.260 -9.703 1.00 0.00 O ATOM 169 CB LEU A 14 -2.389 -3.292 -6.497 1.00 0.00 C ATOM 170 CG LEU A 14 -2.847 -3.805 -5.131 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.657 -4.282 -4.313 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.611 -2.722 -4.383 1.00 0.00 C ATOM 0 H LEU A 14 -2.741 -4.942 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.428 -2.950 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.610 -3.957 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.933 -2.312 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.516 -4.651 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.003 -4.643 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.152 -5.090 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.962 -3.455 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.929 -3.105 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.965 -1.856 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.487 -2.428 -4.962 1.00 0.00 H new ATOM 184 N GLY A 15 -3.157 -0.809 -8.009 1.00 0.00 N ATOM 185 CA GLY A 15 -2.851 0.347 -8.831 1.00 0.00 C ATOM 186 C GLY A 15 -2.302 1.505 -8.021 1.00 0.00 C ATOM 187 O GLY A 15 -2.786 1.790 -6.925 1.00 0.00 O ATOM 0 H GLY A 15 -3.379 -0.597 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.125 0.065 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.753 0.667 -9.352 1.00 0.00 H new ATOM 191 N PHE A 16 -1.288 2.174 -8.559 1.00 0.00 N ATOM 192 CA PHE A 16 -0.671 3.306 -7.878 1.00 0.00 C ATOM 193 C PHE A 16 -0.810 4.580 -8.705 1.00 0.00 C ATOM 194 O PHE A 16 -0.352 4.646 -9.846 1.00 0.00 O ATOM 195 CB PHE A 16 0.808 3.020 -7.606 1.00 0.00 C ATOM 196 CG PHE A 16 1.034 1.846 -6.696 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.680 1.911 -5.358 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.601 0.678 -7.180 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.886 0.832 -4.519 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.809 -0.404 -6.345 1.00 0.00 C ATOM 201 CZ PHE A 16 1.453 -0.326 -5.013 1.00 0.00 C ATOM 0 H PHE A 16 -0.876 1.952 -9.465 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.187 3.452 -6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.315 2.838 -8.554 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.266 3.905 -7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.238 2.815 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.883 0.612 -8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.604 0.895 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.250 -1.310 -6.734 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.618 -1.169 -4.359 1.00 0.00 H new ATOM 211 N SER A 17 -1.447 5.591 -8.122 1.00 0.00 N ATOM 212 CA SER A 17 -1.652 6.862 -8.806 1.00 0.00 C ATOM 213 C SER A 17 -1.348 8.034 -7.877 1.00 0.00 C ATOM 214 O SER A 17 -1.353 7.888 -6.654 1.00 0.00 O ATOM 215 CB SER A 17 -3.089 6.964 -9.320 1.00 0.00 C ATOM 216 OG SER A 17 -3.217 6.368 -10.599 1.00 0.00 O ATOM 0 H SER A 17 -1.830 5.554 -7.177 1.00 0.00 H new ATOM 0 HA SER A 17 -0.967 6.904 -9.653 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.765 6.475 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.386 8.011 -9.372 1.00 0.00 H new ATOM 0 HG SER A 17 -4.145 6.445 -10.904 1.00 0.00 H new ATOM 222 N ASP A 18 -1.083 9.194 -8.466 1.00 0.00 N ATOM 223 CA ASP A 18 -0.777 10.392 -7.693 1.00 0.00 C ATOM 224 C ASP A 18 0.398 10.147 -6.752 1.00 0.00 C ATOM 225 O ASP A 18 0.525 10.800 -5.716 1.00 0.00 O ATOM 226 CB ASP A 18 -2.003 10.835 -6.892 1.00 0.00 C ATOM 227 CG ASP A 18 -2.023 12.331 -6.644 1.00 0.00 C ATOM 228 OD1 ASP A 18 -0.941 12.908 -6.407 1.00 0.00 O ATOM 229 OD2 ASP A 18 -3.121 12.924 -6.687 1.00 0.00 O ATOM 0 H ASP A 18 -1.074 9.331 -9.477 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.502 11.183 -8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.907 10.546 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.018 10.311 -5.936 1.00 0.00 H new ATOM 234 N VAL A 19 1.256 9.200 -7.119 1.00 0.00 N ATOM 235 CA VAL A 19 2.421 8.867 -6.309 1.00 0.00 C ATOM 236 C VAL A 19 3.350 10.067 -6.164 1.00 0.00 C ATOM 237 O VAL A 19 3.508 10.859 -7.094 1.00 0.00 O ATOM 238 CB VAL A 19 3.210 7.691 -6.915 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.458 7.406 -6.094 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.330 6.454 -7.010 1.00 0.00 C ATOM 0 H VAL A 19 1.166 8.650 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 19 2.050 8.577 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 19 3.523 7.965 -7.923 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.003 6.572 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.095 8.290 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.172 7.151 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.903 5.632 -7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.986 6.175 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.469 6.668 -7.644 1.00 0.00 H new ATOM 250 N SER A 20 3.965 10.196 -4.993 1.00 0.00 N ATOM 251 CA SER A 20 4.877 11.301 -4.725 1.00 0.00 C ATOM 252 C SER A 20 6.212 10.788 -4.195 1.00 0.00 C ATOM 253 O SER A 20 6.441 9.580 -4.121 1.00 0.00 O ATOM 254 CB SER A 20 4.254 12.271 -3.718 1.00 0.00 C ATOM 255 OG SER A 20 3.502 13.276 -4.376 1.00 0.00 O ATOM 0 H SER A 20 3.848 9.548 -4.214 1.00 0.00 H new ATOM 0 HA SER A 20 5.057 11.827 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.610 11.722 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.039 12.733 -3.120 1.00 0.00 H new ATOM 0 HG SER A 20 3.113 13.882 -3.711 1.00 0.00 H new ATOM 261 N HIS A 21 7.091 11.715 -3.826 1.00 0.00 N ATOM 262 CA HIS A 21 8.404 11.357 -3.302 1.00 0.00 C ATOM 263 C HIS A 21 8.354 11.175 -1.788 1.00 0.00 C ATOM 264 O HIS A 21 9.321 10.722 -1.175 1.00 0.00 O ATOM 265 CB HIS A 21 9.431 12.430 -3.665 1.00 0.00 C ATOM 266 CG HIS A 21 8.971 13.824 -3.367 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.372 14.636 -4.307 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.024 14.549 -2.224 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.078 15.800 -3.756 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.462 15.773 -2.493 1.00 0.00 N ATOM 0 H HIS A 21 6.918 12.719 -3.880 1.00 0.00 H new ATOM 0 HA HIS A 21 8.703 10.411 -3.754 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.355 12.237 -3.120 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.665 12.353 -4.727 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.432 14.225 -1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.604 16.633 -4.254 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.358 16.537 -1.825 1.00 0.00 H new ATOM 279 N ASP A 22 7.222 11.532 -1.192 1.00 0.00 N ATOM 280 CA ASP A 22 7.045 11.408 0.250 1.00 0.00 C ATOM 281 C ASP A 22 5.721 10.724 0.579 1.00 0.00 C ATOM 282 O ASP A 22 5.282 10.720 1.729 1.00 0.00 O ATOM 283 CB ASP A 22 7.100 12.785 0.913 1.00 0.00 C ATOM 284 CG ASP A 22 6.164 13.781 0.256 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.129 13.349 -0.292 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.467 14.992 0.290 1.00 0.00 O ATOM 0 H ASP A 22 6.413 11.910 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 22 7.857 10.794 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.841 12.688 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.120 13.166 0.869 1.00 0.00 H new ATOM 291 N ALA A 23 5.090 10.148 -0.439 1.00 0.00 N ATOM 292 CA ALA A 23 3.818 9.461 -0.258 1.00 0.00 C ATOM 293 C ALA A 23 3.420 8.701 -1.519 1.00 0.00 C ATOM 294 O ALA A 23 4.015 8.886 -2.580 1.00 0.00 O ATOM 295 CB ALA A 23 2.731 10.454 0.127 1.00 0.00 C ATOM 0 H ALA A 23 5.439 10.144 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 23 3.936 8.738 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.786 9.926 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.004 10.949 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.623 11.199 -0.661 1.00 0.00 H new ATOM 301 N ALA A 24 2.410 7.846 -1.395 1.00 0.00 N ATOM 302 CA ALA A 24 1.933 7.059 -2.526 1.00 0.00 C ATOM 303 C ALA A 24 0.510 6.563 -2.288 1.00 0.00 C ATOM 304 O ALA A 24 0.225 5.933 -1.270 1.00 0.00 O ATOM 305 CB ALA A 24 2.866 5.886 -2.784 1.00 0.00 C ATOM 0 H ALA A 24 1.907 7.681 -0.523 1.00 0.00 H new ATOM 0 HA ALA A 24 1.924 7.702 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.497 5.307 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.866 6.259 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.904 5.250 -1.899 1.00 0.00 H new ATOM 311 N ARG A 25 -0.378 6.853 -3.232 1.00 0.00 N ATOM 312 CA ARG A 25 -1.772 6.438 -3.124 1.00 0.00 C ATOM 313 C ARG A 25 -1.985 5.075 -3.775 1.00 0.00 C ATOM 314 O ARG A 25 -1.679 4.882 -4.952 1.00 0.00 O ATOM 315 CB ARG A 25 -2.687 7.476 -3.776 1.00 0.00 C ATOM 316 CG ARG A 25 -4.165 7.235 -3.513 1.00 0.00 C ATOM 317 CD ARG A 25 -5.029 8.289 -4.188 1.00 0.00 C ATOM 318 NE ARG A 25 -5.183 8.037 -5.618 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.196 8.500 -6.341 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.141 9.235 -5.771 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.266 8.228 -7.638 1.00 0.00 N ATOM 0 H ARG A 25 -0.158 7.374 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.021 6.359 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.418 8.467 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.513 7.476 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.444 6.246 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.351 7.244 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.011 8.309 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.583 9.273 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.473 7.474 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.091 9.446 -4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.918 9.589 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.541 7.663 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.045 8.584 -8.192 1.00 0.00 H new ATOM 335 N VAL A 26 -2.511 4.131 -3.001 1.00 0.00 N ATOM 336 CA VAL A 26 -2.767 2.786 -3.502 1.00 0.00 C ATOM 337 C VAL A 26 -4.262 2.524 -3.636 1.00 0.00 C ATOM 338 O VAL A 26 -5.037 2.802 -2.721 1.00 0.00 O ATOM 339 CB VAL A 26 -2.150 1.717 -2.579 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.503 1.998 -1.126 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.614 0.328 -2.990 1.00 0.00 C ATOM 0 H VAL A 26 -2.768 4.273 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.301 2.720 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.065 1.757 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.059 1.233 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.117 2.977 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.586 1.986 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.169 -0.415 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.700 0.272 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.306 0.130 -4.017 1.00 0.00 H new ATOM 351 N PHE A 27 -4.662 1.986 -4.784 1.00 0.00 N ATOM 352 CA PHE A 27 -6.066 1.686 -5.039 1.00 0.00 C ATOM 353 C PHE A 27 -6.223 0.297 -5.651 1.00 0.00 C ATOM 354 O PHE A 27 -5.355 -0.170 -6.388 1.00 0.00 O ATOM 355 CB PHE A 27 -6.673 2.738 -5.970 1.00 0.00 C ATOM 356 CG PHE A 27 -6.179 2.642 -7.385 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.682 1.680 -8.245 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.211 3.515 -7.855 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.228 1.590 -9.548 1.00 0.00 C ATOM 360 CE2 PHE A 27 -4.753 3.430 -9.157 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.264 2.466 -10.004 1.00 0.00 C ATOM 0 H PHE A 27 -4.034 1.749 -5.552 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.595 1.706 -4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.758 2.634 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.446 3.731 -5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.437 0.992 -7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.809 4.271 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.628 0.835 -10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.997 4.116 -9.511 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.910 2.398 -11.022 1.00 0.00 H new ATOM 371 N TRP A 28 -7.336 -0.357 -5.340 1.00 0.00 N ATOM 372 CA TRP A 28 -7.608 -1.693 -5.859 1.00 0.00 C ATOM 373 C TRP A 28 -8.980 -1.752 -6.520 1.00 0.00 C ATOM 374 O TRP A 28 -9.801 -0.852 -6.346 1.00 0.00 O ATOM 375 CB TRP A 28 -7.525 -2.726 -4.734 1.00 0.00 C ATOM 376 CG TRP A 28 -8.177 -2.273 -3.463 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.399 -2.654 -2.988 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.641 -1.353 -2.505 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.656 -2.025 -1.793 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.592 -1.223 -1.475 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.449 -0.629 -2.417 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.387 -0.397 -0.373 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.248 0.191 -1.323 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.212 0.301 -0.312 1.00 0.00 C ATOM 0 H TRP A 28 -8.065 0.016 -4.731 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.854 -1.924 -6.611 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.995 -3.652 -5.065 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.478 -2.953 -4.536 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.066 -3.348 -3.479 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.502 -2.137 -1.234 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.699 -0.709 -3.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.130 -0.310 0.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.332 0.757 -1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.024 0.949 0.531 1.00 0.00 H new ATOM 395 N GLU A 29 -9.222 -2.817 -7.278 1.00 0.00 N ATOM 396 CA GLU A 29 -10.497 -2.991 -7.965 1.00 0.00 C ATOM 397 C GLU A 29 -11.501 -3.717 -7.073 1.00 0.00 C ATOM 398 O GLU A 29 -12.526 -4.206 -7.545 1.00 0.00 O ATOM 399 CB GLU A 29 -10.297 -3.771 -9.266 1.00 0.00 C ATOM 400 CG GLU A 29 -9.308 -3.121 -10.219 1.00 0.00 C ATOM 401 CD GLU A 29 -9.860 -1.867 -10.868 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.803 -1.983 -11.678 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.348 -0.768 -10.565 1.00 0.00 O ATOM 0 H GLU A 29 -8.553 -3.571 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.893 -2.003 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.951 -4.777 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.258 -3.875 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.396 -2.873 -9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.033 -3.836 -10.995 1.00 0.00 H new ATOM 410 N GLY A 30 -11.196 -3.783 -5.781 1.00 0.00 N ATOM 411 CA GLY A 30 -12.081 -4.450 -4.844 1.00 0.00 C ATOM 412 C GLY A 30 -11.893 -5.954 -4.841 1.00 0.00 C ATOM 413 O GLY A 30 -11.126 -6.493 -5.639 1.00 0.00 O ATOM 0 H GLY A 30 -10.352 -3.387 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.902 -4.062 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.115 -4.217 -5.096 1.00 0.00 H new ATOM 417 N ALA A 31 -12.594 -6.635 -3.939 1.00 0.00 N ATOM 418 CA ALA A 31 -12.501 -8.086 -3.836 1.00 0.00 C ATOM 419 C ALA A 31 -13.854 -8.742 -4.093 1.00 0.00 C ATOM 420 O ALA A 31 -14.910 -8.162 -3.840 1.00 0.00 O ATOM 421 CB ALA A 31 -11.971 -8.485 -2.467 1.00 0.00 C ATOM 0 H ALA A 31 -13.232 -6.205 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.806 -8.436 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.907 -9.571 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.981 -8.054 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.645 -8.116 -1.694 1.00 0.00 H new ATOM 427 N PRO A 32 -13.823 -9.980 -4.609 1.00 0.00 N ATOM 428 CA PRO A 32 -15.039 -10.741 -4.912 1.00 0.00 C ATOM 429 C PRO A 32 -15.778 -11.179 -3.652 1.00 0.00 C ATOM 430 O PRO A 32 -16.869 -11.744 -3.726 1.00 0.00 O ATOM 431 CB PRO A 32 -14.513 -11.960 -5.674 1.00 0.00 C ATOM 432 CG PRO A 32 -13.107 -12.120 -5.208 1.00 0.00 C ATOM 433 CD PRO A 32 -12.600 -10.731 -4.936 1.00 0.00 C ATOM 0 HA PRO A 32 -15.761 -10.149 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.106 -12.849 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.557 -11.803 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.061 -12.735 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.499 -12.616 -5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.888 -10.718 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.091 -10.312 -5.804 1.00 0.00 H new ATOM 441 N ARG A 33 -15.176 -10.914 -2.497 1.00 0.00 N ATOM 442 CA ARG A 33 -15.778 -11.281 -1.221 1.00 0.00 C ATOM 443 C ARG A 33 -16.014 -10.047 -0.356 1.00 0.00 C ATOM 444 O ARG A 33 -15.312 -9.041 -0.461 1.00 0.00 O ATOM 445 CB ARG A 33 -14.882 -12.274 -0.477 1.00 0.00 C ATOM 446 CG ARG A 33 -13.417 -11.870 -0.450 1.00 0.00 C ATOM 447 CD ARG A 33 -12.659 -12.441 -1.639 1.00 0.00 C ATOM 448 NE ARG A 33 -13.010 -13.835 -1.893 1.00 0.00 N ATOM 449 CZ ARG A 33 -12.629 -14.843 -1.115 1.00 0.00 C ATOM 450 NH1 ARG A 33 -11.890 -14.611 -0.040 1.00 0.00 N ATOM 451 NH2 ARG A 33 -12.989 -16.085 -1.413 1.00 0.00 N ATOM 0 H ARG A 33 -14.273 -10.447 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.740 -11.751 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.241 -12.377 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -14.971 -13.254 -0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.338 -10.783 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.959 -12.218 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.874 -11.845 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.587 -12.365 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.579 -14.047 -2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.612 -13.657 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.599 -15.386 0.556 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.558 -16.267 -2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.696 -16.858 -0.816 1.00 0.00 H new ATOM 465 N PRO A 34 -17.027 -10.123 0.520 1.00 0.00 N ATOM 466 CA PRO A 34 -17.380 -9.021 1.420 1.00 0.00 C ATOM 467 C PRO A 34 -16.330 -8.799 2.504 1.00 0.00 C ATOM 468 O PRO A 34 -15.746 -9.752 3.021 1.00 0.00 O ATOM 469 CB PRO A 34 -18.701 -9.479 2.042 1.00 0.00 C ATOM 470 CG PRO A 34 -18.664 -10.966 1.957 1.00 0.00 C ATOM 471 CD PRO A 34 -17.906 -11.291 0.700 1.00 0.00 C ATOM 0 HA PRO A 34 -17.449 -8.070 0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -18.789 -9.144 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.555 -9.073 1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.173 -11.395 2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.672 -11.380 1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.333 -12.213 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -18.575 -11.425 -0.150 1.00 0.00 H new ATOM 479 N VAL A 35 -16.095 -7.536 2.844 1.00 0.00 N ATOM 480 CA VAL A 35 -15.117 -7.189 3.868 1.00 0.00 C ATOM 481 C VAL A 35 -15.686 -6.172 4.851 1.00 0.00 C ATOM 482 O VAL A 35 -16.408 -5.254 4.461 1.00 0.00 O ATOM 483 CB VAL A 35 -13.829 -6.618 3.244 1.00 0.00 C ATOM 484 CG1 VAL A 35 -14.162 -5.706 2.073 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.013 -5.877 4.292 1.00 0.00 C ATOM 0 H VAL A 35 -16.569 -6.736 2.425 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.877 -8.109 4.400 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.229 -7.447 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.240 -5.312 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.702 -6.271 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.783 -4.880 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.107 -5.480 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.603 -5.056 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.743 -6.563 5.095 1.00 0.00 H new ATOM 495 N ARG A 36 -15.356 -6.341 6.127 1.00 0.00 N ATOM 496 CA ARG A 36 -15.835 -5.438 7.166 1.00 0.00 C ATOM 497 C ARG A 36 -14.783 -4.385 7.499 1.00 0.00 C ATOM 498 O ARG A 36 -15.109 -3.288 7.954 1.00 0.00 O ATOM 499 CB ARG A 36 -16.202 -6.225 8.426 1.00 0.00 C ATOM 500 CG ARG A 36 -14.998 -6.778 9.171 1.00 0.00 C ATOM 501 CD ARG A 36 -15.419 -7.613 10.369 1.00 0.00 C ATOM 502 NE ARG A 36 -14.338 -7.761 11.340 1.00 0.00 N ATOM 503 CZ ARG A 36 -14.476 -8.388 12.503 1.00 0.00 C ATOM 504 NH1 ARG A 36 -15.643 -8.922 12.839 1.00 0.00 N ATOM 505 NH2 ARG A 36 -13.446 -8.482 13.334 1.00 0.00 N ATOM 0 H ARG A 36 -14.759 -7.095 6.466 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.724 -4.932 6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.768 -5.578 9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.859 -7.050 8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.399 -7.387 8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.366 -5.955 9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.278 -7.147 10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.739 -8.598 10.030 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.428 -7.361 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.438 -8.852 12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.745 -9.403 13.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.547 -8.073 13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.553 -8.964 14.227 1.00 0.00 H new ATOM 519 N LEU A 37 -13.519 -4.726 7.271 1.00 0.00 N ATOM 520 CA LEU A 37 -12.418 -3.811 7.547 1.00 0.00 C ATOM 521 C LEU A 37 -11.257 -4.051 6.587 1.00 0.00 C ATOM 522 O LEU A 37 -11.142 -5.121 5.990 1.00 0.00 O ATOM 523 CB LEU A 37 -11.942 -3.976 8.992 1.00 0.00 C ATOM 524 CG LEU A 37 -10.940 -2.934 9.491 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.586 -1.559 9.555 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.392 -3.331 10.854 1.00 0.00 C ATOM 0 H LEU A 37 -13.232 -5.630 6.896 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.780 -2.793 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.814 -3.955 9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.491 -4.963 9.095 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.110 -2.890 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.858 -0.831 9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.929 -1.271 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.435 -1.587 10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.681 -2.578 11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.212 -3.404 11.569 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.890 -4.296 10.778 1.00 0.00 H new ATOM 538 N VAL A 38 -10.397 -3.047 6.445 1.00 0.00 N ATOM 539 CA VAL A 38 -9.242 -3.150 5.560 1.00 0.00 C ATOM 540 C VAL A 38 -7.969 -2.691 6.262 1.00 0.00 C ATOM 541 O VAL A 38 -7.915 -1.592 6.815 1.00 0.00 O ATOM 542 CB VAL A 38 -9.440 -2.314 4.281 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.232 -2.445 3.366 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.712 -2.735 3.561 1.00 0.00 C ATOM 0 H VAL A 38 -10.478 -2.154 6.931 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.144 -4.201 5.288 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.540 -1.266 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.389 -1.848 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.342 -2.091 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.098 -3.490 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.836 -2.134 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.644 -3.788 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.569 -2.585 4.218 1.00 0.00 H new ATOM 554 N ARG A 39 -6.947 -3.539 6.236 1.00 0.00 N ATOM 555 CA ARG A 39 -5.674 -3.221 6.870 1.00 0.00 C ATOM 556 C ARG A 39 -4.530 -3.299 5.864 1.00 0.00 C ATOM 557 O ARG A 39 -4.243 -4.363 5.315 1.00 0.00 O ATOM 558 CB ARG A 39 -5.408 -4.176 8.035 1.00 0.00 C ATOM 559 CG ARG A 39 -5.795 -3.607 9.390 1.00 0.00 C ATOM 560 CD ARG A 39 -5.017 -4.269 10.516 1.00 0.00 C ATOM 561 NE ARG A 39 -5.557 -3.929 11.830 1.00 0.00 N ATOM 562 CZ ARG A 39 -5.230 -2.827 12.496 1.00 0.00 C ATOM 563 NH1 ARG A 39 -4.370 -1.964 11.975 1.00 0.00 N ATOM 564 NH2 ARG A 39 -5.765 -2.587 13.687 1.00 0.00 N ATOM 0 H ARG A 39 -6.976 -4.452 5.782 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.731 -2.201 7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.959 -5.101 7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.349 -4.434 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.610 -2.533 9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.864 -3.748 9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.039 -5.351 10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.972 -3.963 10.463 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.221 -4.573 12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.957 -2.145 11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.121 -1.119 12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.427 -3.249 14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.514 -1.741 14.198 1.00 0.00 H new ATOM 578 N VAL A 40 -3.880 -2.164 5.625 1.00 0.00 N ATOM 579 CA VAL A 40 -2.767 -2.104 4.685 1.00 0.00 C ATOM 580 C VAL A 40 -1.437 -1.958 5.416 1.00 0.00 C ATOM 581 O VAL A 40 -1.370 -1.370 6.496 1.00 0.00 O ATOM 582 CB VAL A 40 -2.929 -0.933 3.698 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.028 -1.125 2.488 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.383 -0.792 3.272 1.00 0.00 C ATOM 0 H VAL A 40 -4.105 -1.274 6.069 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.771 -3.042 4.129 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.630 -0.014 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.157 -0.288 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.988 -1.172 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.292 -2.053 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.479 0.040 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.711 -1.711 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.002 -0.604 4.149 1.00 0.00 H new ATOM 594 N THR A 41 -0.378 -2.496 4.819 1.00 0.00 N ATOM 595 CA THR A 41 0.951 -2.426 5.413 1.00 0.00 C ATOM 596 C THR A 41 2.017 -2.193 4.349 1.00 0.00 C ATOM 597 O THR A 41 2.216 -3.023 3.462 1.00 0.00 O ATOM 598 CB THR A 41 1.289 -3.714 6.188 1.00 0.00 C ATOM 599 OG1 THR A 41 0.846 -4.859 5.451 1.00 0.00 O ATOM 600 CG2 THR A 41 0.636 -3.706 7.562 1.00 0.00 C ATOM 0 H THR A 41 -0.415 -2.985 3.925 1.00 0.00 H new ATOM 0 HA THR A 41 0.943 -1.585 6.106 1.00 0.00 H new ATOM 0 HB THR A 41 2.370 -3.761 6.317 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.093 -4.757 4.508 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.889 -4.625 8.090 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.997 -2.849 8.131 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.446 -3.638 7.450 1.00 0.00 H new ATOM 608 N TYR A 42 2.702 -1.058 4.444 1.00 0.00 N ATOM 609 CA TYR A 42 3.747 -0.714 3.487 1.00 0.00 C ATOM 610 C TYR A 42 5.124 -0.770 4.142 1.00 0.00 C ATOM 611 O TYR A 42 5.282 -0.428 5.314 1.00 0.00 O ATOM 612 CB TYR A 42 3.501 0.680 2.910 1.00 0.00 C ATOM 613 CG TYR A 42 3.152 1.716 3.955 1.00 0.00 C ATOM 614 CD1 TYR A 42 1.870 1.793 4.485 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.106 2.617 4.414 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.547 2.738 5.439 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.792 3.564 5.370 1.00 0.00 C ATOM 618 CZ TYR A 42 2.511 3.621 5.879 1.00 0.00 C ATOM 619 OH TYR A 42 2.194 4.562 6.830 1.00 0.00 O ATOM 0 H TYR A 42 2.552 -0.361 5.174 1.00 0.00 H new ATOM 0 HA TYR A 42 3.719 -1.444 2.678 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.392 1.004 2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.692 0.625 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.113 1.102 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.109 2.576 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.545 2.785 5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.545 4.256 5.717 1.00 0.00 H new ATOM 0 HH TYR A 42 2.985 5.104 7.030 1.00 0.00 H new ATOM 629 N VAL A 43 6.120 -1.204 3.376 1.00 0.00 N ATOM 630 CA VAL A 43 7.485 -1.304 3.879 1.00 0.00 C ATOM 631 C VAL A 43 8.494 -0.876 2.820 1.00 0.00 C ATOM 632 O VAL A 43 8.227 -0.965 1.621 1.00 0.00 O ATOM 633 CB VAL A 43 7.812 -2.738 4.334 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.607 -3.721 3.191 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.234 -2.816 4.868 1.00 0.00 C ATOM 0 H VAL A 43 6.007 -1.492 2.404 1.00 0.00 H new ATOM 0 HA VAL A 43 7.556 -0.634 4.736 1.00 0.00 H new ATOM 0 HB VAL A 43 7.131 -3.009 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.843 -4.729 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.569 -3.683 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.262 -3.456 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.448 -3.837 5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.933 -2.525 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.341 -2.142 5.718 1.00 0.00 H new ATOM 645 N SER A 44 9.655 -0.410 3.269 1.00 0.00 N ATOM 646 CA SER A 44 10.704 0.035 2.360 1.00 0.00 C ATOM 647 C SER A 44 11.361 -1.154 1.665 1.00 0.00 C ATOM 648 O SER A 44 11.159 -2.304 2.055 1.00 0.00 O ATOM 649 CB SER A 44 11.758 0.843 3.120 1.00 0.00 C ATOM 650 OG SER A 44 12.392 0.051 4.109 1.00 0.00 O ATOM 0 H SER A 44 9.893 -0.331 4.258 1.00 0.00 H new ATOM 0 HA SER A 44 10.248 0.670 1.601 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.503 1.223 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.289 1.709 3.588 1.00 0.00 H new ATOM 0 HG SER A 44 13.062 0.590 4.579 1.00 0.00 H new ATOM 714 N SER A 50 8.473 0.341 8.176 1.00 0.00 N ATOM 715 CA SER A 50 7.187 -0.192 7.742 1.00 0.00 C ATOM 716 C SER A 50 6.041 0.461 8.508 1.00 0.00 C ATOM 717 O SER A 50 6.181 0.805 9.681 1.00 0.00 O ATOM 718 CB SER A 50 7.147 -1.709 7.938 1.00 0.00 C ATOM 719 OG SER A 50 7.386 -2.055 9.291 1.00 0.00 O ATOM 0 HA SER A 50 7.068 0.034 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.176 -2.093 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.895 -2.181 7.301 1.00 0.00 H new ATOM 0 HG SER A 50 7.905 -1.345 9.724 1.00 0.00 H new ATOM 725 N GLY A 51 4.907 0.629 7.835 1.00 0.00 N ATOM 726 CA GLY A 51 3.753 1.241 8.468 1.00 0.00 C ATOM 727 C GLY A 51 2.509 0.381 8.361 1.00 0.00 C ATOM 728 O GLY A 51 2.569 -0.751 7.881 1.00 0.00 O ATOM 0 H GLY A 51 4.767 0.352 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.974 1.425 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.562 2.210 8.008 1.00 0.00 H new ATOM 732 N GLN A 52 1.379 0.918 8.811 1.00 0.00 N ATOM 733 CA GLN A 52 0.117 0.190 8.765 1.00 0.00 C ATOM 734 C GLN A 52 -1.064 1.135 8.963 1.00 0.00 C ATOM 735 O GLN A 52 -1.112 1.891 9.934 1.00 0.00 O ATOM 736 CB GLN A 52 0.095 -0.904 9.834 1.00 0.00 C ATOM 737 CG GLN A 52 -1.285 -1.492 10.075 1.00 0.00 C ATOM 738 CD GLN A 52 -1.256 -2.687 11.007 1.00 0.00 C ATOM 739 OE1 GLN A 52 -0.814 -3.772 10.630 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.728 -2.493 12.234 1.00 0.00 N ATOM 0 H GLN A 52 1.312 1.854 9.211 1.00 0.00 H new ATOM 0 HA GLN A 52 0.029 -0.272 7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.775 -1.703 9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.474 -0.493 10.770 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.934 -0.724 10.495 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.720 -1.791 9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.085 -1.576 12.504 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.733 -3.261 12.906 1.00 0.00 H new ATOM 749 N THR A 53 -2.016 1.087 8.037 1.00 0.00 N ATOM 750 CA THR A 53 -3.196 1.940 8.109 1.00 0.00 C ATOM 751 C THR A 53 -4.476 1.114 8.041 1.00 0.00 C ATOM 752 O THR A 53 -4.454 -0.048 7.639 1.00 0.00 O ATOM 753 CB THR A 53 -3.208 2.980 6.973 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.225 3.958 7.214 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.451 2.309 5.629 1.00 0.00 C ATOM 0 H THR A 53 -1.993 0.466 7.228 1.00 0.00 H new ATOM 0 HA THR A 53 -3.153 2.460 9.066 1.00 0.00 H new ATOM 0 HB THR A 53 -2.234 3.469 6.947 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.224 4.616 6.488 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.455 3.063 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.659 1.586 5.435 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.413 1.797 5.647 1.00 0.00 H new ATOM 763 N GLU A 54 -5.589 1.724 8.436 1.00 0.00 N ATOM 764 CA GLU A 54 -6.879 1.043 8.419 1.00 0.00 C ATOM 765 C GLU A 54 -7.861 1.762 7.499 1.00 0.00 C ATOM 766 O GLU A 54 -7.833 2.986 7.378 1.00 0.00 O ATOM 767 CB GLU A 54 -7.455 0.961 9.834 1.00 0.00 C ATOM 768 CG GLU A 54 -7.047 -0.295 10.586 1.00 0.00 C ATOM 769 CD GLU A 54 -7.706 -0.401 11.947 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.223 0.624 12.438 1.00 0.00 O ATOM 771 OE2 GLU A 54 -7.706 -1.510 12.521 1.00 0.00 O ATOM 0 H GLU A 54 -5.624 2.687 8.771 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.724 0.033 8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.131 1.834 10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.543 1.003 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.308 -1.171 9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.964 -0.304 10.709 1.00 0.00 H new ATOM 778 N ALA A 55 -8.729 0.990 6.852 1.00 0.00 N ATOM 779 CA ALA A 55 -9.721 1.552 5.944 1.00 0.00 C ATOM 780 C ALA A 55 -10.976 0.687 5.899 1.00 0.00 C ATOM 781 O ALA A 55 -10.950 -0.504 6.210 1.00 0.00 O ATOM 782 CB ALA A 55 -9.133 1.705 4.549 1.00 0.00 C ATOM 0 H ALA A 55 -8.765 -0.026 6.940 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.003 2.536 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.885 2.126 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.270 2.370 4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.822 0.729 4.176 1.00 0.00 H new ATOM 788 N PRO A 56 -12.103 1.298 5.504 1.00 0.00 N ATOM 789 CA PRO A 56 -13.390 0.602 5.410 1.00 0.00 C ATOM 790 C PRO A 56 -13.420 -0.407 4.267 1.00 0.00 C ATOM 791 O PRO A 56 -12.843 -0.175 3.206 1.00 0.00 O ATOM 792 CB PRO A 56 -14.387 1.734 5.150 1.00 0.00 C ATOM 793 CG PRO A 56 -13.580 2.811 4.512 1.00 0.00 C ATOM 794 CD PRO A 56 -12.208 2.716 5.119 1.00 0.00 C ATOM 0 HA PRO A 56 -13.607 0.022 6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.196 1.407 4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.845 2.079 6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.538 2.679 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.021 3.790 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.433 2.997 4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.103 3.375 5.981 1.00 0.00 H new ATOM 802 N GLY A 57 -14.098 -1.528 4.492 1.00 0.00 N ATOM 803 CA GLY A 57 -14.192 -2.556 3.471 1.00 0.00 C ATOM 804 C GLY A 57 -14.709 -2.018 2.152 1.00 0.00 C ATOM 805 O GLY A 57 -14.598 -2.676 1.119 1.00 0.00 O ATOM 0 H GLY A 57 -14.584 -1.743 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.209 -3.002 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.852 -3.350 3.819 1.00 0.00 H new ATOM 809 N ASN A 58 -15.278 -0.817 2.187 1.00 0.00 N ATOM 810 CA ASN A 58 -15.816 -0.191 0.984 1.00 0.00 C ATOM 811 C ASN A 58 -14.751 0.647 0.283 1.00 0.00 C ATOM 812 O ASN A 58 -14.758 0.779 -0.940 1.00 0.00 O ATOM 813 CB ASN A 58 -17.021 0.685 1.336 1.00 0.00 C ATOM 814 CG ASN A 58 -17.248 1.789 0.322 1.00 0.00 C ATOM 815 OD1 ASN A 58 -17.518 1.525 -0.850 1.00 0.00 O ATOM 816 ND2 ASN A 58 -17.140 3.035 0.769 1.00 0.00 N ATOM 0 H ASN A 58 -15.378 -0.258 3.034 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.135 -0.981 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.914 0.063 1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.871 1.126 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.283 3.819 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.915 3.208 1.749 1.00 0.00 H new ATOM 823 N ALA A 59 -13.838 1.209 1.067 1.00 0.00 N ATOM 824 CA ALA A 59 -12.765 2.031 0.522 1.00 0.00 C ATOM 825 C ALA A 59 -11.882 1.225 -0.425 1.00 0.00 C ATOM 826 O ALA A 59 -11.241 0.255 -0.018 1.00 0.00 O ATOM 827 CB ALA A 59 -11.931 2.625 1.648 1.00 0.00 C ATOM 0 H ALA A 59 -13.820 1.110 2.082 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.217 2.843 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.133 3.237 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.565 3.243 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.496 1.821 2.242 1.00 0.00 H new ATOM 833 N THR A 60 -11.854 1.631 -1.690 1.00 0.00 N ATOM 834 CA THR A 60 -11.051 0.945 -2.695 1.00 0.00 C ATOM 835 C THR A 60 -9.777 1.723 -3.005 1.00 0.00 C ATOM 836 O THR A 60 -9.088 1.438 -3.985 1.00 0.00 O ATOM 837 CB THR A 60 -11.843 0.738 -4.000 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.183 2.005 -4.574 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.109 -0.065 -3.743 1.00 0.00 C ATOM 0 H THR A 60 -12.378 2.432 -2.043 1.00 0.00 H new ATOM 0 HA THR A 60 -10.787 -0.028 -2.280 1.00 0.00 H new ATOM 0 HB THR A 60 -11.214 0.182 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.685 1.864 -5.404 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.652 -0.198 -4.679 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.845 -1.040 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.739 0.468 -3.031 1.00 0.00 H new ATOM 847 N SER A 61 -9.469 2.705 -2.165 1.00 0.00 N ATOM 848 CA SER A 61 -8.278 3.526 -2.352 1.00 0.00 C ATOM 849 C SER A 61 -7.864 4.188 -1.041 1.00 0.00 C ATOM 850 O SER A 61 -8.703 4.686 -0.292 1.00 0.00 O ATOM 851 CB SER A 61 -8.531 4.594 -3.418 1.00 0.00 C ATOM 852 OG SER A 61 -9.805 5.192 -3.248 1.00 0.00 O ATOM 0 H SER A 61 -10.027 2.952 -1.348 1.00 0.00 H new ATOM 0 HA SER A 61 -7.467 2.877 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.756 5.359 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.465 4.146 -4.409 1.00 0.00 H new ATOM 0 HG SER A 61 -9.942 5.872 -3.940 1.00 0.00 H new ATOM 858 N ALA A 62 -6.562 4.188 -0.772 1.00 0.00 N ATOM 859 CA ALA A 62 -6.034 4.790 0.447 1.00 0.00 C ATOM 860 C ALA A 62 -4.680 5.444 0.194 1.00 0.00 C ATOM 861 O ALA A 62 -4.001 5.128 -0.782 1.00 0.00 O ATOM 862 CB ALA A 62 -5.920 3.744 1.545 1.00 0.00 C ATOM 0 H ALA A 62 -5.854 3.778 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.728 5.566 0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.525 4.207 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.905 3.326 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.249 2.949 1.221 1.00 0.00 H new ATOM 868 N MET A 63 -4.295 6.357 1.079 1.00 0.00 N ATOM 869 CA MET A 63 -3.021 7.056 0.951 1.00 0.00 C ATOM 870 C MET A 63 -2.028 6.572 2.003 1.00 0.00 C ATOM 871 O MET A 63 -2.414 6.211 3.116 1.00 0.00 O ATOM 872 CB MET A 63 -3.227 8.566 1.084 1.00 0.00 C ATOM 873 CG MET A 63 -3.990 9.179 -0.079 1.00 0.00 C ATOM 874 SD MET A 63 -3.518 10.891 -0.393 1.00 0.00 S ATOM 875 CE MET A 63 -1.890 10.667 -1.106 1.00 0.00 C ATOM 0 H MET A 63 -4.846 6.630 1.892 1.00 0.00 H new ATOM 0 HA MET A 63 -2.613 6.838 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.765 8.771 2.010 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.255 9.051 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.813 8.587 -0.977 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.059 9.133 0.128 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.175 11.306 -0.588 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.587 9.625 -1.002 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.916 10.934 -2.163 1.00 0.00 H new ATOM 885 N LEU A 64 -0.749 6.566 1.644 1.00 0.00 N ATOM 886 CA LEU A 64 0.300 6.126 2.558 1.00 0.00 C ATOM 887 C LEU A 64 1.314 7.239 2.799 1.00 0.00 C ATOM 888 O LEU A 64 1.324 8.247 2.094 1.00 0.00 O ATOM 889 CB LEU A 64 1.006 4.890 1.997 1.00 0.00 C ATOM 890 CG LEU A 64 0.101 3.819 1.387 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.924 2.802 0.612 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.717 3.131 2.471 1.00 0.00 C ATOM 0 H LEU A 64 -0.413 6.861 0.727 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.165 5.871 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.714 5.215 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.587 4.433 2.798 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.586 4.304 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.263 2.048 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.464 3.306 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.636 2.322 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.355 2.372 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.046 2.660 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.336 3.868 2.982 1.00 0.00 H new ATOM 904 N GLY A 65 2.168 7.048 3.800 1.00 0.00 N ATOM 905 CA GLY A 65 3.176 8.044 4.115 1.00 0.00 C ATOM 906 C GLY A 65 3.195 8.404 5.587 1.00 0.00 C ATOM 907 O GLY A 65 2.348 7.966 6.366 1.00 0.00 O ATOM 0 H GLY A 65 2.180 6.222 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.157 7.669 3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.991 8.943 3.527 1.00 0.00 H new ATOM 911 N PRO A 66 4.182 9.220 5.988 1.00 0.00 N ATOM 912 CA PRO A 66 5.196 9.747 5.070 1.00 0.00 C ATOM 913 C PRO A 66 6.155 8.666 4.583 1.00 0.00 C ATOM 914 O PRO A 66 6.605 7.824 5.362 1.00 0.00 O ATOM 915 CB PRO A 66 5.941 10.779 5.919 1.00 0.00 C ATOM 916 CG PRO A 66 5.745 10.326 7.325 1.00 0.00 C ATOM 917 CD PRO A 66 4.383 9.690 7.369 1.00 0.00 C ATOM 0 HA PRO A 66 4.751 10.161 4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.999 10.816 5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.540 11.781 5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.517 9.615 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.806 11.165 8.018 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.346 8.867 8.083 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.615 10.404 7.666 1.00 0.00 H new ATOM 925 N LEU A 67 6.464 8.694 3.292 1.00 0.00 N ATOM 926 CA LEU A 67 7.371 7.716 2.701 1.00 0.00 C ATOM 927 C LEU A 67 8.675 8.377 2.265 1.00 0.00 C ATOM 928 O LEU A 67 8.878 9.572 2.476 1.00 0.00 O ATOM 929 CB LEU A 67 6.707 7.033 1.504 1.00 0.00 C ATOM 930 CG LEU A 67 5.260 6.584 1.706 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.733 5.901 0.453 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.152 5.655 2.907 1.00 0.00 C ATOM 0 H LEU A 67 6.100 9.383 2.634 1.00 0.00 H new ATOM 0 HA LEU A 67 7.600 6.966 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.739 7.718 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.302 6.161 1.232 1.00 0.00 H new ATOM 0 HG LEU A 67 4.650 7.466 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.702 5.588 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.773 6.597 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.346 5.028 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.115 5.346 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.776 4.776 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.488 6.177 3.803 1.00 0.00 H new ATOM 944 N SER A 68 9.556 7.590 1.654 1.00 0.00 N ATOM 945 CA SER A 68 10.841 8.098 1.189 1.00 0.00 C ATOM 946 C SER A 68 10.793 8.413 -0.303 1.00 0.00 C ATOM 947 O SER A 68 9.765 8.232 -0.954 1.00 0.00 O ATOM 948 CB SER A 68 11.948 7.081 1.472 1.00 0.00 C ATOM 949 OG SER A 68 12.512 7.286 2.756 1.00 0.00 O ATOM 0 H SER A 68 9.403 6.599 1.470 1.00 0.00 H new ATOM 0 HA SER A 68 11.057 9.019 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.544 6.071 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.725 7.164 0.712 1.00 0.00 H new ATOM 0 HG SER A 68 13.216 6.623 2.914 1.00 0.00 H new ATOM 955 N SER A 69 11.915 8.886 -0.838 1.00 0.00 N ATOM 956 CA SER A 69 12.001 9.230 -2.252 1.00 0.00 C ATOM 957 C SER A 69 12.908 8.253 -2.995 1.00 0.00 C ATOM 958 O SER A 69 13.810 7.657 -2.406 1.00 0.00 O ATOM 959 CB SER A 69 12.524 10.658 -2.420 1.00 0.00 C ATOM 960 OG SER A 69 13.745 10.839 -1.725 1.00 0.00 O ATOM 0 H SER A 69 12.776 9.039 -0.313 1.00 0.00 H new ATOM 0 HA SER A 69 11.000 9.165 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.669 10.873 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.783 11.366 -2.050 1.00 0.00 H new ATOM 0 HG SER A 69 14.059 11.759 -1.850 1.00 0.00 H new ATOM 966 N SER A 70 12.662 8.095 -4.291 1.00 0.00 N ATOM 967 CA SER A 70 13.453 7.188 -5.115 1.00 0.00 C ATOM 968 C SER A 70 13.657 5.851 -4.409 1.00 0.00 C ATOM 969 O SER A 70 14.671 5.181 -4.602 1.00 0.00 O ATOM 970 CB SER A 70 14.809 7.816 -5.443 1.00 0.00 C ATOM 971 OG SER A 70 15.552 6.993 -6.326 1.00 0.00 O ATOM 0 H SER A 70 11.921 8.583 -4.794 1.00 0.00 H new ATOM 0 HA SER A 70 12.908 7.010 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.659 8.797 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.374 7.971 -4.524 1.00 0.00 H new ATOM 0 HG SER A 70 15.489 6.060 -6.034 1.00 0.00 H new ATOM 977 N THR A 71 12.684 5.469 -3.587 1.00 0.00 N ATOM 978 CA THR A 71 12.755 4.213 -2.851 1.00 0.00 C ATOM 979 C THR A 71 11.516 3.360 -3.098 1.00 0.00 C ATOM 980 O THR A 71 10.391 3.861 -3.090 1.00 0.00 O ATOM 981 CB THR A 71 12.902 4.457 -1.337 1.00 0.00 C ATOM 982 OG1 THR A 71 13.977 5.370 -1.090 1.00 0.00 O ATOM 983 CG2 THR A 71 13.160 3.151 -0.601 1.00 0.00 C ATOM 0 H THR A 71 11.838 6.012 -3.415 1.00 0.00 H new ATOM 0 HA THR A 71 13.636 3.683 -3.214 1.00 0.00 H new ATOM 0 HB THR A 71 11.970 4.885 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.730 6.261 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.260 3.348 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.326 2.469 -0.767 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.079 2.698 -0.974 1.00 0.00 H new ATOM 991 N THR A 72 11.728 2.066 -3.318 1.00 0.00 N ATOM 992 CA THR A 72 10.629 1.142 -3.568 1.00 0.00 C ATOM 993 C THR A 72 9.968 0.708 -2.265 1.00 0.00 C ATOM 994 O THR A 72 10.647 0.329 -1.310 1.00 0.00 O ATOM 995 CB THR A 72 11.108 -0.108 -4.329 1.00 0.00 C ATOM 996 OG1 THR A 72 11.740 0.277 -5.555 1.00 0.00 O ATOM 997 CG2 THR A 72 9.943 -1.041 -4.624 1.00 0.00 C ATOM 0 H THR A 72 12.652 1.634 -3.328 1.00 0.00 H new ATOM 0 HA THR A 72 9.902 1.675 -4.181 1.00 0.00 H new ATOM 0 HB THR A 72 11.826 -0.636 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.106 0.783 -6.105 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.306 -1.917 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.482 -1.355 -3.687 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.205 -0.520 -5.234 1.00 0.00 H new ATOM 1005 N TYR A 73 8.642 0.765 -2.232 1.00 0.00 N ATOM 1006 CA TYR A 73 7.889 0.379 -1.044 1.00 0.00 C ATOM 1007 C TYR A 73 6.909 -0.746 -1.362 1.00 0.00 C ATOM 1008 O TYR A 73 6.118 -0.650 -2.301 1.00 0.00 O ATOM 1009 CB TYR A 73 7.135 1.583 -0.478 1.00 0.00 C ATOM 1010 CG TYR A 73 7.973 2.448 0.436 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.825 3.417 -0.080 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.915 2.295 1.816 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.593 4.209 0.751 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.679 3.083 2.654 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.516 4.038 2.118 1.00 0.00 C ATOM 1016 OH TYR A 73 10.280 4.825 2.950 1.00 0.00 O ATOM 0 H TYR A 73 8.065 1.075 -3.014 1.00 0.00 H new ATOM 0 HA TYR A 73 8.597 0.019 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.767 2.192 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.262 1.229 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.888 3.553 -1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.261 1.547 2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.250 4.958 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.621 2.952 3.724 1.00 0.00 H new ATOM 0 HH TYR A 73 10.108 4.578 3.883 1.00 0.00 H new ATOM 1026 N THR A 74 6.966 -1.813 -0.572 1.00 0.00 N ATOM 1027 CA THR A 74 6.085 -2.958 -0.768 1.00 0.00 C ATOM 1028 C THR A 74 4.753 -2.754 -0.055 1.00 0.00 C ATOM 1029 O THR A 74 4.657 -2.916 1.161 1.00 0.00 O ATOM 1030 CB THR A 74 6.733 -4.259 -0.259 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.042 -4.406 -0.819 1.00 0.00 O ATOM 1032 CG2 THR A 74 5.881 -5.466 -0.624 1.00 0.00 C ATOM 0 H THR A 74 7.613 -1.908 0.210 1.00 0.00 H new ATOM 0 HA THR A 74 5.911 -3.044 -1.841 1.00 0.00 H new ATOM 0 HB THR A 74 6.808 -4.201 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.448 -5.235 -0.489 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.358 -6.374 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.894 -5.365 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.779 -5.525 -1.708 1.00 0.00 H new ATOM 1040 N VAL A 75 3.726 -2.398 -0.821 1.00 0.00 N ATOM 1041 CA VAL A 75 2.398 -2.174 -0.262 1.00 0.00 C ATOM 1042 C VAL A 75 1.555 -3.443 -0.324 1.00 0.00 C ATOM 1043 O VAL A 75 1.402 -4.048 -1.386 1.00 0.00 O ATOM 1044 CB VAL A 75 1.660 -1.044 -1.004 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.294 -0.800 -0.382 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.493 0.229 -0.998 1.00 0.00 C ATOM 0 H VAL A 75 3.788 -2.259 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 75 2.537 -1.884 0.779 1.00 0.00 H new ATOM 0 HB VAL A 75 1.511 -1.349 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.213 0.002 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.302 -1.711 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.416 -0.516 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.957 1.017 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.674 0.540 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.446 0.043 -1.494 1.00 0.00 H new ATOM 1056 N ARG A 76 1.008 -3.840 0.820 1.00 0.00 N ATOM 1057 CA ARG A 76 0.180 -5.038 0.896 1.00 0.00 C ATOM 1058 C ARG A 76 -1.190 -4.715 1.486 1.00 0.00 C ATOM 1059 O ARG A 76 -1.308 -4.394 2.669 1.00 0.00 O ATOM 1060 CB ARG A 76 0.872 -6.109 1.742 1.00 0.00 C ATOM 1061 CG ARG A 76 1.755 -7.046 0.935 1.00 0.00 C ATOM 1062 CD ARG A 76 2.765 -7.760 1.820 1.00 0.00 C ATOM 1063 NE ARG A 76 2.120 -8.679 2.754 1.00 0.00 N ATOM 1064 CZ ARG A 76 2.788 -9.469 3.587 1.00 0.00 C ATOM 1065 NH1 ARG A 76 4.114 -9.453 3.601 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.130 -10.278 4.407 1.00 0.00 N ATOM 0 H ARG A 76 1.123 -3.350 1.707 1.00 0.00 H new ATOM 0 HA ARG A 76 0.040 -5.418 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.477 -5.621 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.114 -6.695 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.135 -7.781 0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.280 -6.480 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.468 -8.312 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.344 -7.023 2.377 1.00 0.00 H new ATOM 0 HE ARG A 76 1.101 -8.716 2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.623 -8.833 2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.625 -10.061 4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.110 -10.294 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.644 -10.884 5.046 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.222 -4.801 0.653 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.584 -4.519 1.091 1.00 0.00 C ATOM 1082 C VAL A 77 -4.267 -5.780 1.609 1.00 0.00 C ATOM 1083 O VAL A 77 -4.639 -6.661 0.833 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.428 -3.922 -0.050 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.804 -3.519 0.459 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.713 -2.735 -0.676 1.00 0.00 C ATOM 0 H VAL A 77 -2.141 -5.064 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.513 -3.791 1.899 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.560 -4.684 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.387 -3.099 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.316 -4.395 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.697 -2.773 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.324 -2.325 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.549 -1.968 0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.753 -3.059 -1.078 1.00 0.00 H new ATOM 1096 N THR A 78 -4.430 -5.861 2.926 1.00 0.00 N ATOM 1097 CA THR A 78 -5.068 -7.014 3.548 1.00 0.00 C ATOM 1098 C THR A 78 -6.505 -6.699 3.946 1.00 0.00 C ATOM 1099 O THR A 78 -6.747 -5.926 4.874 1.00 0.00 O ATOM 1100 CB THR A 78 -4.292 -7.481 4.794 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.888 -7.282 4.600 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.567 -8.949 5.084 1.00 0.00 C ATOM 0 H THR A 78 -4.129 -5.141 3.583 1.00 0.00 H new ATOM 0 HA THR A 78 -5.067 -7.814 2.808 1.00 0.00 H new ATOM 0 HB THR A 78 -4.627 -6.890 5.646 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.402 -7.580 5.397 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.008 -9.256 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.633 -9.091 5.261 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.257 -9.553 4.231 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.455 -7.302 3.240 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.870 -7.085 3.520 1.00 0.00 C ATOM 1112 C CYS A 79 -9.382 -8.092 4.545 1.00 0.00 C ATOM 1113 O CYS A 79 -9.618 -9.258 4.222 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.688 -7.189 2.232 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.387 -5.849 1.056 1.00 0.00 S ATOM 0 H CYS A 79 -7.271 -7.945 2.470 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.984 -6.083 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.464 -8.140 1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.748 -7.203 2.487 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.122 -6.026 -0.001 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.550 -7.637 5.781 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.033 -8.499 6.855 1.00 0.00 C ATOM 1123 C LEU A 80 -11.524 -8.778 6.700 1.00 0.00 C ATOM 1124 O LEU A 80 -12.357 -7.895 6.908 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.762 -7.853 8.215 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.354 -8.043 8.780 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.003 -9.521 8.850 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.335 -7.291 7.937 1.00 0.00 C ATOM 0 H LEU A 80 -9.359 -6.676 6.065 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.497 -9.446 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.957 -6.784 8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.477 -8.253 8.934 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.331 -7.636 9.791 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.998 -9.637 9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.716 -10.034 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.044 -9.952 7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.339 -7.438 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.360 -7.668 6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.576 -6.228 7.938 1.00 0.00 H new ATOM 1140 N TYR A 81 -11.855 -10.012 6.336 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.246 -10.408 6.153 1.00 0.00 C ATOM 1142 C TYR A 81 -13.868 -10.841 7.477 1.00 0.00 C ATOM 1143 O TYR A 81 -13.192 -11.348 8.373 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.345 -11.545 5.134 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.648 -11.248 3.826 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -12.804 -10.019 3.197 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.834 -12.196 3.218 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.170 -9.743 2.001 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.195 -11.929 2.023 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.366 -10.701 1.418 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.732 -10.430 0.227 1.00 0.00 O ATOM 0 H TYR A 81 -11.179 -10.755 6.162 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.797 -9.545 5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -12.916 -12.449 5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.396 -11.754 4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.432 -9.266 3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.699 -13.159 3.688 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.303 -8.783 1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.565 -12.677 1.565 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.204 -11.209 -0.047 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.187 -10.639 7.604 1.00 0.00 N ATOM 1162 CA PRO A 82 -15.931 -11.002 8.814 1.00 0.00 C ATOM 1163 C PRO A 82 -16.047 -12.512 8.992 1.00 0.00 C ATOM 1164 O PRO A 82 -15.952 -13.024 10.107 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.312 -10.384 8.581 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.442 -10.295 7.099 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.055 -10.040 6.576 1.00 0.00 C ATOM 0 HA PRO A 82 -15.437 -10.646 9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.100 -11.002 9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.389 -9.401 9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -17.851 -11.218 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.120 -9.491 6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -15.902 -10.503 5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.860 -8.974 6.457 1.00 0.00 H new ATOM 1207 N SER A 87 -7.497 -11.871 2.387 1.00 0.00 N ATOM 1208 CA SER A 87 -6.472 -11.992 1.357 1.00 0.00 C ATOM 1209 C SER A 87 -5.367 -10.961 1.566 1.00 0.00 C ATOM 1210 O SER A 87 -5.360 -10.232 2.559 1.00 0.00 O ATOM 1211 CB SER A 87 -7.092 -11.817 -0.031 1.00 0.00 C ATOM 1212 OG SER A 87 -7.649 -13.034 -0.498 1.00 0.00 O ATOM 0 HA SER A 87 -6.034 -12.988 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.866 -11.050 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.332 -11.469 -0.731 1.00 0.00 H new ATOM 0 HG SER A 87 -8.040 -12.895 -1.386 1.00 0.00 H new ATOM 1218 N THR A 88 -4.432 -10.906 0.623 1.00 0.00 N ATOM 1219 CA THR A 88 -3.320 -9.967 0.703 1.00 0.00 C ATOM 1220 C THR A 88 -2.835 -9.569 -0.687 1.00 0.00 C ATOM 1221 O THR A 88 -2.180 -10.354 -1.375 1.00 0.00 O ATOM 1222 CB THR A 88 -2.140 -10.559 1.496 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.606 -11.096 2.739 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.080 -9.500 1.761 1.00 0.00 C ATOM 0 H THR A 88 -4.423 -11.501 -0.205 1.00 0.00 H new ATOM 0 HA THR A 88 -3.690 -9.083 1.223 1.00 0.00 H new ATOM 0 HB THR A 88 -1.694 -11.356 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.850 -11.472 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.257 -9.942 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.707 -9.114 0.813 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.516 -8.685 2.338 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.159 -8.347 -1.095 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.755 -7.845 -2.403 1.00 0.00 C ATOM 1234 C LEU A 89 -1.467 -7.035 -2.302 1.00 0.00 C ATOM 1235 O LEU A 89 -1.468 -5.905 -1.810 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.867 -6.985 -3.006 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.017 -7.742 -3.670 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.263 -6.872 -3.735 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.617 -8.208 -5.062 1.00 0.00 C ATOM 0 H LEU A 89 -3.700 -7.686 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.573 -8.701 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.280 -6.356 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.423 -6.319 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.243 -8.621 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.071 -7.428 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.562 -6.589 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.050 -5.974 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.448 -8.745 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.362 -7.344 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.754 -8.869 -4.990 1.00 0.00 H new ATOM 1251 N THR A 90 -0.369 -7.617 -2.772 1.00 0.00 N ATOM 1252 CA THR A 90 0.926 -6.949 -2.735 1.00 0.00 C ATOM 1253 C THR A 90 1.079 -5.981 -3.903 1.00 0.00 C ATOM 1254 O THR A 90 0.532 -6.204 -4.982 1.00 0.00 O ATOM 1255 CB THR A 90 2.084 -7.965 -2.770 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.278 -8.441 -4.107 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.801 -9.139 -1.845 1.00 0.00 C ATOM 0 H THR A 90 -0.350 -8.550 -3.183 1.00 0.00 H new ATOM 0 HA THR A 90 0.968 -6.393 -1.798 1.00 0.00 H new ATOM 0 HB THR A 90 2.989 -7.463 -2.428 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.017 -9.085 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.632 -9.843 -1.886 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.682 -8.777 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.886 -9.639 -2.161 1.00 0.00 H new ATOM 1265 N GLY A 91 1.827 -4.905 -3.680 1.00 0.00 N ATOM 1266 CA GLY A 91 2.039 -3.919 -4.724 1.00 0.00 C ATOM 1267 C GLY A 91 3.272 -3.073 -4.481 1.00 0.00 C ATOM 1268 O GLY A 91 3.321 -2.294 -3.528 1.00 0.00 O ATOM 0 H GLY A 91 2.290 -4.698 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.134 -4.426 -5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.165 -3.271 -4.790 1.00 0.00 H new ATOM 1272 N ARG A 92 4.272 -3.226 -5.342 1.00 0.00 N ATOM 1273 CA ARG A 92 5.513 -2.471 -5.214 1.00 0.00 C ATOM 1274 C ARG A 92 5.427 -1.151 -5.975 1.00 0.00 C ATOM 1275 O ARG A 92 5.040 -1.119 -7.143 1.00 0.00 O ATOM 1276 CB ARG A 92 6.692 -3.295 -5.734 1.00 0.00 C ATOM 1277 CG ARG A 92 7.108 -4.420 -4.800 1.00 0.00 C ATOM 1278 CD ARG A 92 8.543 -4.854 -5.055 1.00 0.00 C ATOM 1279 NE ARG A 92 8.887 -6.068 -4.319 1.00 0.00 N ATOM 1280 CZ ARG A 92 8.599 -7.292 -4.747 1.00 0.00 C ATOM 1281 NH1 ARG A 92 7.968 -7.464 -5.900 1.00 0.00 N ATOM 1282 NH2 ARG A 92 8.945 -8.348 -4.022 1.00 0.00 N ATOM 0 H ARG A 92 4.248 -3.866 -6.136 1.00 0.00 H new ATOM 0 HA ARG A 92 5.669 -2.253 -4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.429 -3.718 -6.704 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.544 -2.634 -5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.004 -4.093 -3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.440 -5.271 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.686 -5.024 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.221 -4.051 -4.767 1.00 0.00 H new ATOM 0 HE ARG A 92 9.375 -5.971 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.702 -6.655 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.748 -8.405 -6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.433 -8.220 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.723 -9.288 -4.351 1.00 0.00 H new ATOM 1296 N VAL A 93 5.790 -0.063 -5.303 1.00 0.00 N ATOM 1297 CA VAL A 93 5.755 1.261 -5.915 1.00 0.00 C ATOM 1298 C VAL A 93 6.995 2.068 -5.550 1.00 0.00 C ATOM 1299 O VAL A 93 7.362 2.169 -4.378 1.00 0.00 O ATOM 1300 CB VAL A 93 4.501 2.044 -5.485 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.428 2.147 -3.970 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.491 3.425 -6.123 1.00 0.00 C ATOM 0 H VAL A 93 6.112 -0.072 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 93 5.728 1.111 -6.994 1.00 0.00 H new ATOM 0 HB VAL A 93 3.620 1.503 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.535 2.704 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.385 1.147 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.312 2.664 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.598 3.965 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.377 3.977 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.491 3.324 -7.208 1.00 0.00 H new ATOM 1312 N THR A 94 7.639 2.644 -6.560 1.00 0.00 N ATOM 1313 CA THR A 94 8.839 3.443 -6.346 1.00 0.00 C ATOM 1314 C THR A 94 8.492 4.915 -6.154 1.00 0.00 C ATOM 1315 O THR A 94 8.031 5.582 -7.082 1.00 0.00 O ATOM 1316 CB THR A 94 9.821 3.308 -7.525 1.00 0.00 C ATOM 1317 OG1 THR A 94 10.172 1.933 -7.715 1.00 0.00 O ATOM 1318 CG2 THR A 94 11.078 4.129 -7.278 1.00 0.00 C ATOM 0 H THR A 94 7.349 2.572 -7.535 1.00 0.00 H new ATOM 0 HA THR A 94 9.315 3.064 -5.442 1.00 0.00 H new ATOM 0 HB THR A 94 9.331 3.684 -8.423 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.795 1.855 -8.467 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.757 4.018 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.810 5.179 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.569 3.778 -6.370 1.00 0.00 H new ATOM 1326 N THR A 95 8.718 5.419 -4.945 1.00 0.00 N ATOM 1327 CA THR A 95 8.429 6.813 -4.631 1.00 0.00 C ATOM 1328 C THR A 95 9.215 7.754 -5.536 1.00 0.00 C ATOM 1329 O THR A 95 10.309 7.423 -5.995 1.00 0.00 O ATOM 1330 CB THR A 95 8.758 7.138 -3.162 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.950 6.452 -2.763 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.608 6.739 -2.249 1.00 0.00 C ATOM 0 H THR A 95 9.101 4.882 -4.167 1.00 0.00 H new ATOM 0 HA THR A 95 7.362 6.960 -4.797 1.00 0.00 H new ATOM 0 HB THR A 95 8.913 8.214 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.176 6.698 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.863 6.978 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.709 7.285 -2.536 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.427 5.668 -2.339 1.00 0.00 H new ATOM 1340 N LYS A 96 8.652 8.931 -5.790 1.00 0.00 N ATOM 1341 CA LYS A 96 9.301 9.923 -6.639 1.00 0.00 C ATOM 1342 C LYS A 96 10.513 10.529 -5.939 1.00 0.00 C ATOM 1343 O LYS A 96 10.680 10.384 -4.728 1.00 0.00 O ATOM 1344 CB LYS A 96 8.311 11.027 -7.017 1.00 0.00 C ATOM 1345 CG LYS A 96 6.986 10.503 -7.541 1.00 0.00 C ATOM 1346 CD LYS A 96 6.339 11.485 -8.503 1.00 0.00 C ATOM 1347 CE LYS A 96 5.447 10.774 -9.510 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.602 11.732 -10.275 1.00 0.00 N ATOM 0 H LYS A 96 7.747 9.221 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 96 9.641 9.422 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.125 11.651 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.764 11.666 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.144 9.550 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.312 10.314 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.750 12.211 -7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.113 12.042 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.065 10.202 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.808 10.061 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.009 11.209 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.994 12.261 -9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.212 12.397 -10.792 1.00 0.00 H new ATOM 1362 N LYS A 97 11.356 11.210 -6.708 1.00 0.00 N ATOM 1363 CA LYS A 97 12.551 11.841 -6.162 1.00 0.00 C ATOM 1364 C LYS A 97 12.196 13.120 -5.410 1.00 0.00 C ATOM 1365 O LYS A 97 11.342 13.891 -5.847 1.00 0.00 O ATOM 1366 CB LYS A 97 13.544 12.155 -7.283 1.00 0.00 C ATOM 1367 CG LYS A 97 14.428 10.979 -7.661 1.00 0.00 C ATOM 1368 CD LYS A 97 14.958 11.113 -9.079 1.00 0.00 C ATOM 1369 CE LYS A 97 15.987 12.228 -9.186 1.00 0.00 C ATOM 1370 NZ LYS A 97 17.343 11.773 -8.772 1.00 0.00 N ATOM 0 H LYS A 97 11.233 11.339 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 97 13.011 11.144 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.992 12.482 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.175 12.989 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.263 10.912 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.861 10.052 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.408 10.170 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.131 11.313 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.024 12.591 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.679 13.067 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.015 12.562 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.314 11.450 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.648 10.989 -9.383 1.00 0.00 H new ATOM 1384 N ALA A 98 12.858 13.339 -4.279 1.00 0.00 N ATOM 1385 CA ALA A 98 12.614 14.525 -3.468 1.00 0.00 C ATOM 1386 C ALA A 98 13.410 15.718 -3.988 1.00 0.00 C ATOM 1387 O ALA A 98 14.549 15.586 -4.438 1.00 0.00 O ATOM 1388 CB ALA A 98 12.960 14.251 -2.012 1.00 0.00 C ATOM 0 H ALA A 98 13.568 12.710 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 98 11.554 14.770 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.773 15.146 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.344 13.433 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.012 13.977 -1.933 1.00 0.00 H new