USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 429 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 27 GLN :FLIP amide:sc= -0.102 F(o=-1.8,f=0.27) USER MOD Set 1.2: A 31 ASN :FLIP amide:sc= 0.374 F(o=-3.2!,f=0.27) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -154:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot -160:sc= 2.27 USER MOD Single : A 7 SER OG : rot 30:sc= 0.22 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.01 K(o=1,f=-0.0084) USER MOD Single : A 21 SER OG : rot -97:sc= 1.05 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.32) USER MOD Single : A 36 ASN : amide:sc= 0.809 K(o=0.81,f=-5.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0191 (180deg=-0.294) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.044 (180deg=-0.26) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 67 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.014) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 4.764 4.804 0.646 1.00 0.00 N ATOM 106 CA SER A 7 5.545 4.168 1.696 1.00 0.00 C ATOM 107 C SER A 7 6.250 2.930 1.150 1.00 0.00 C ATOM 108 O SER A 7 5.654 2.130 0.428 1.00 0.00 O ATOM 109 CB SER A 7 4.642 3.787 2.871 1.00 0.00 C ATOM 110 OG SER A 7 3.810 4.873 3.239 1.00 0.00 O ATOM 0 HA SER A 7 6.297 4.873 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.028 2.928 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.253 3.486 3.722 1.00 0.00 H new ATOM 0 HG SER A 7 3.629 5.428 2.452 1.00 0.00 H new ATOM 116 N GLU A 8 7.526 2.786 1.475 1.00 0.00 N ATOM 117 CA GLU A 8 8.293 1.618 1.057 1.00 0.00 C ATOM 118 C GLU A 8 7.834 0.375 1.812 1.00 0.00 C ATOM 119 O GLU A 8 7.960 -0.748 1.321 1.00 0.00 O ATOM 120 CB GLU A 8 9.792 1.853 1.248 1.00 0.00 C ATOM 121 CG GLU A 8 10.327 2.977 0.377 1.00 0.00 C ATOM 122 CD GLU A 8 11.836 3.096 0.435 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.517 2.393 -0.334 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.349 3.903 1.246 1.00 0.00 O ATOM 0 H GLU A 8 8.054 3.462 2.027 1.00 0.00 H new ATOM 0 HA GLU A 8 8.113 1.455 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.988 2.086 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.331 0.934 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.020 2.809 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.880 3.920 0.693 1.00 0.00 H new ATOM 131 N GLU A 9 7.294 0.592 3.008 1.00 0.00 N ATOM 132 CA GLU A 9 6.707 -0.479 3.811 1.00 0.00 C ATOM 133 C GLU A 9 5.562 -1.143 3.043 1.00 0.00 C ATOM 134 O GLU A 9 5.297 -2.337 3.195 1.00 0.00 O ATOM 135 CB GLU A 9 6.194 0.101 5.132 1.00 0.00 C ATOM 136 CG GLU A 9 5.676 -0.932 6.124 1.00 0.00 C ATOM 137 CD GLU A 9 6.709 -1.978 6.493 1.00 0.00 C ATOM 138 OE1 GLU A 9 7.878 -1.617 6.731 1.00 0.00 O ATOM 139 OE2 GLU A 9 6.348 -3.171 6.561 1.00 0.00 O ATOM 0 H GLU A 9 7.250 1.511 3.448 1.00 0.00 H new ATOM 0 HA GLU A 9 7.466 -1.233 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.000 0.664 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.394 0.809 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.345 -0.423 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.803 -1.427 5.700 1.00 0.00 H new ATOM 146 N PHE A 10 4.901 -0.350 2.209 1.00 0.00 N ATOM 147 CA PHE A 10 3.815 -0.843 1.366 1.00 0.00 C ATOM 148 C PHE A 10 4.333 -1.903 0.393 1.00 0.00 C ATOM 149 O PHE A 10 3.696 -2.934 0.185 1.00 0.00 O ATOM 150 CB PHE A 10 3.167 0.316 0.598 1.00 0.00 C ATOM 151 CG PHE A 10 1.980 -0.085 -0.223 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.781 -0.418 0.385 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.058 -0.118 -1.605 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.315 -0.775 -0.372 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.964 -0.476 -2.364 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.223 -0.804 -1.746 1.00 0.00 C ATOM 0 H PHE A 10 5.099 0.644 2.097 1.00 0.00 H new ATOM 0 HA PHE A 10 3.060 -1.300 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.861 1.084 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.913 0.767 -0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.704 -0.398 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.986 0.140 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.245 -1.032 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.037 -0.499 -3.441 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.081 -1.084 -2.339 1.00 0.00 H new ATOM 166 N LYS A 11 5.504 -1.647 -0.188 1.00 0.00 N ATOM 167 CA LYS A 11 6.136 -2.606 -1.094 1.00 0.00 C ATOM 168 C LYS A 11 6.505 -3.873 -0.332 1.00 0.00 C ATOM 169 O LYS A 11 6.356 -4.985 -0.832 1.00 0.00 O ATOM 170 CB LYS A 11 7.400 -2.019 -1.722 1.00 0.00 C ATOM 171 CG LYS A 11 7.180 -0.729 -2.495 1.00 0.00 C ATOM 172 CD LYS A 11 8.483 -0.237 -3.104 1.00 0.00 C ATOM 173 CE LYS A 11 8.297 1.060 -3.867 1.00 0.00 C ATOM 174 NZ LYS A 11 9.592 1.633 -4.326 1.00 0.00 N ATOM 0 H LYS A 11 6.033 -0.786 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 11 5.424 -2.839 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.130 -1.835 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.835 -2.760 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.444 -0.892 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.773 0.033 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.220 -0.091 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.881 -0.999 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.654 0.883 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.786 1.783 -3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.497 2.663 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.332 1.425 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.853 1.212 -5.240 1.00 0.00 H new ATOM 188 N ARG A 12 6.983 -3.677 0.888 1.00 0.00 N ATOM 189 CA ARG A 12 7.374 -4.773 1.767 1.00 0.00 C ATOM 190 C ARG A 12 6.187 -5.698 2.028 1.00 0.00 C ATOM 191 O ARG A 12 6.324 -6.922 2.023 1.00 0.00 O ATOM 192 CB ARG A 12 7.909 -4.189 3.079 1.00 0.00 C ATOM 193 CG ARG A 12 8.451 -5.203 4.070 1.00 0.00 C ATOM 194 CD ARG A 12 8.940 -4.485 5.314 1.00 0.00 C ATOM 195 NE ARG A 12 9.464 -5.392 6.329 1.00 0.00 N ATOM 196 CZ ARG A 12 9.519 -5.086 7.622 1.00 0.00 C ATOM 197 NH1 ARG A 12 9.014 -3.940 8.064 1.00 0.00 N ATOM 198 NH2 ARG A 12 10.042 -5.943 8.485 1.00 0.00 N ATOM 0 H ARG A 12 7.112 -2.752 1.299 1.00 0.00 H new ATOM 0 HA ARG A 12 8.156 -5.365 1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.700 -3.477 2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.108 -3.628 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.674 -5.921 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.267 -5.768 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.718 -3.774 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.119 -3.908 5.740 1.00 0.00 H new ATOM 0 HE ARG A 12 9.805 -6.306 6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.580 -3.288 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.060 -3.712 9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.403 -6.839 8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.084 -5.707 9.476 1.00 0.00 H new ATOM 212 N ASP A 13 5.016 -5.105 2.230 1.00 0.00 N ATOM 213 CA ASP A 13 3.795 -5.877 2.438 1.00 0.00 C ATOM 214 C ASP A 13 3.371 -6.561 1.139 1.00 0.00 C ATOM 215 O ASP A 13 2.891 -7.696 1.148 1.00 0.00 O ATOM 216 CB ASP A 13 2.681 -4.964 2.957 1.00 0.00 C ATOM 217 CG ASP A 13 1.415 -5.720 3.322 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.407 -6.409 4.367 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.417 -5.612 2.587 1.00 0.00 O ATOM 0 H ASP A 13 4.885 -4.094 2.254 1.00 0.00 H new ATOM 0 HA ASP A 13 3.987 -6.649 3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.040 -4.424 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.446 -4.219 2.197 1.00 0.00 H new ATOM 224 N ALA A 14 3.591 -5.867 0.023 1.00 0.00 N ATOM 225 CA ALA A 14 3.271 -6.389 -1.304 1.00 0.00 C ATOM 226 C ALA A 14 4.103 -7.632 -1.621 1.00 0.00 C ATOM 227 O ALA A 14 3.610 -8.583 -2.231 1.00 0.00 O ATOM 228 CB ALA A 14 3.493 -5.310 -2.360 1.00 0.00 C ATOM 0 H ALA A 14 3.995 -4.930 0.013 1.00 0.00 H new ATOM 0 HA ALA A 14 2.220 -6.680 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.252 -5.710 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.850 -4.455 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.536 -4.993 -2.343 1.00 0.00 H new ATOM 234 N VAL A 15 5.362 -7.627 -1.196 1.00 0.00 N ATOM 235 CA VAL A 15 6.233 -8.779 -1.399 1.00 0.00 C ATOM 236 C VAL A 15 5.692 -9.992 -0.638 1.00 0.00 C ATOM 237 O VAL A 15 5.707 -11.114 -1.147 1.00 0.00 O ATOM 238 CB VAL A 15 7.690 -8.492 -0.962 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.583 -9.696 -1.218 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.234 -7.269 -1.684 1.00 0.00 C ATOM 0 H VAL A 15 5.800 -6.843 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 15 6.244 -8.992 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 15 7.686 -8.292 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.601 -9.468 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.211 -10.551 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.578 -9.933 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.259 -7.083 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.216 -7.444 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.617 -6.402 -1.447 1.00 0.00 H new ATOM 250 N ALA A 16 5.187 -9.755 0.572 1.00 0.00 N ATOM 251 CA ALA A 16 4.592 -10.819 1.373 1.00 0.00 C ATOM 252 C ALA A 16 3.289 -11.306 0.740 1.00 0.00 C ATOM 253 O ALA A 16 2.929 -12.480 0.845 1.00 0.00 O ATOM 254 CB ALA A 16 4.344 -10.338 2.796 1.00 0.00 C ATOM 0 H ALA A 16 5.179 -8.837 1.017 1.00 0.00 H new ATOM 0 HA ALA A 16 5.291 -11.655 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.900 -11.144 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.289 -10.040 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.665 -9.486 2.779 1.00 0.00 H new ATOM 260 N LEU A 17 2.587 -10.396 0.071 1.00 0.00 N ATOM 261 CA LEU A 17 1.348 -10.735 -0.624 1.00 0.00 C ATOM 262 C LEU A 17 1.604 -11.744 -1.738 1.00 0.00 C ATOM 263 O LEU A 17 0.772 -12.606 -2.005 1.00 0.00 O ATOM 264 CB LEU A 17 0.688 -9.479 -1.199 1.00 0.00 C ATOM 265 CG LEU A 17 0.081 -8.524 -0.168 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.396 -7.247 -0.839 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.075 -9.191 0.563 1.00 0.00 C ATOM 0 H LEU A 17 2.856 -9.415 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 17 0.673 -11.186 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.431 -8.933 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.097 -9.786 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 17 0.854 -8.271 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.824 -6.581 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.447 -6.754 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.153 -7.489 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.494 -8.497 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.846 -9.472 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.715 -10.083 1.076 1.00 0.00 H new ATOM 279 N TYR A 18 2.773 -11.647 -2.361 1.00 0.00 N ATOM 280 CA TYR A 18 3.137 -12.533 -3.463 1.00 0.00 C ATOM 281 C TYR A 18 3.303 -13.976 -2.981 1.00 0.00 C ATOM 282 O TYR A 18 3.057 -14.923 -3.731 1.00 0.00 O ATOM 283 CB TYR A 18 4.422 -12.038 -4.143 1.00 0.00 C ATOM 284 CG TYR A 18 4.837 -12.843 -5.359 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.106 -12.780 -6.538 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.969 -13.649 -5.335 1.00 0.00 C ATOM 287 CE1 TYR A 18 4.486 -13.503 -7.654 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.354 -14.374 -6.446 1.00 0.00 C ATOM 289 CZ TYR A 18 5.611 -14.296 -7.603 1.00 0.00 C ATOM 290 OH TYR A 18 5.996 -15.012 -8.714 1.00 0.00 O ATOM 0 H TYR A 18 3.488 -10.961 -2.121 1.00 0.00 H new ATOM 0 HA TYR A 18 2.327 -12.517 -4.193 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.284 -10.998 -4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.234 -12.056 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.226 -12.156 -6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.558 -13.710 -4.432 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.903 -13.446 -8.561 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.234 -14.999 -6.407 1.00 0.00 H new ATOM 0 HH TYR A 18 6.810 -15.519 -8.511 1.00 0.00 H new ATOM 300 N GLU A 19 3.710 -14.143 -1.730 1.00 0.00 N ATOM 301 CA GLU A 19 3.869 -15.476 -1.157 1.00 0.00 C ATOM 302 C GLU A 19 2.519 -16.083 -0.804 1.00 0.00 C ATOM 303 O GLU A 19 2.362 -17.302 -0.782 1.00 0.00 O ATOM 304 CB GLU A 19 4.756 -15.442 0.088 1.00 0.00 C ATOM 305 CG GLU A 19 6.230 -15.227 -0.212 1.00 0.00 C ATOM 306 CD GLU A 19 7.109 -15.569 0.973 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.232 -16.774 1.294 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.671 -14.648 1.593 1.00 0.00 O ATOM 0 H GLU A 19 3.935 -13.378 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 19 4.350 -16.097 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.410 -14.646 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.639 -16.380 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.519 -15.840 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.394 -14.187 -0.496 1.00 0.00 H new ATOM 315 N ASN A 20 1.536 -15.231 -0.558 1.00 0.00 N ATOM 316 CA ASN A 20 0.202 -15.687 -0.172 1.00 0.00 C ATOM 317 C ASN A 20 -0.673 -15.891 -1.403 1.00 0.00 C ATOM 318 O ASN A 20 -1.901 -15.844 -1.325 1.00 0.00 O ATOM 319 CB ASN A 20 -0.455 -14.678 0.778 1.00 0.00 C ATOM 320 CG ASN A 20 0.137 -14.717 2.178 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.322 -15.471 3.034 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.157 -13.908 2.425 1.00 0.00 N ATOM 0 H ASN A 20 1.633 -14.217 -0.618 1.00 0.00 H new ATOM 0 HA ASN A 20 0.305 -16.641 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.343 -13.674 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.524 -14.882 0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.587 -13.898 3.350 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.512 -13.296 1.690 1.00 0.00 H new ATOM 329 N SER A 21 -0.029 -16.170 -2.529 1.00 0.00 N ATOM 330 CA SER A 21 -0.710 -16.267 -3.810 1.00 0.00 C ATOM 331 C SER A 21 -1.564 -17.525 -3.929 1.00 0.00 C ATOM 332 O SER A 21 -2.455 -17.601 -4.777 1.00 0.00 O ATOM 333 CB SER A 21 0.312 -16.231 -4.931 1.00 0.00 C ATOM 334 OG SER A 21 1.448 -17.024 -4.612 1.00 0.00 O ATOM 0 H SER A 21 0.976 -16.335 -2.578 1.00 0.00 H new ATOM 0 HA SER A 21 -1.385 -15.415 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.142 -16.594 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.622 -15.202 -5.112 1.00 0.00 H new ATOM 0 HG SER A 21 2.158 -16.450 -4.255 1.00 0.00 H new ATOM 340 N ASP A 22 -1.293 -18.509 -3.084 1.00 0.00 N ATOM 341 CA ASP A 22 -2.086 -19.739 -3.077 1.00 0.00 C ATOM 342 C ASP A 22 -3.524 -19.424 -2.676 1.00 0.00 C ATOM 343 O ASP A 22 -4.458 -20.148 -3.022 1.00 0.00 O ATOM 344 CB ASP A 22 -1.487 -20.783 -2.126 1.00 0.00 C ATOM 345 CG ASP A 22 -2.205 -22.122 -2.201 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.880 -22.929 -3.099 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.089 -22.380 -1.362 1.00 0.00 O ATOM 0 H ASP A 22 -0.538 -18.485 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.074 -20.159 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.433 -20.926 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.533 -20.407 -1.104 1.00 0.00 H new ATOM 352 N GLY A 23 -3.694 -18.317 -1.969 1.00 0.00 N ATOM 353 CA GLY A 23 -5.016 -17.879 -1.581 1.00 0.00 C ATOM 354 C GLY A 23 -5.395 -16.558 -2.221 1.00 0.00 C ATOM 355 O GLY A 23 -6.470 -16.019 -1.954 1.00 0.00 O ATOM 0 H GLY A 23 -2.935 -17.712 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.745 -18.639 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.060 -17.781 -0.496 1.00 0.00 H new ATOM 359 N ALA A 24 -4.521 -16.036 -3.073 1.00 0.00 N ATOM 360 CA ALA A 24 -4.761 -14.754 -3.717 1.00 0.00 C ATOM 361 C ALA A 24 -4.031 -14.680 -5.052 1.00 0.00 C ATOM 362 O ALA A 24 -2.803 -14.692 -5.096 1.00 0.00 O ATOM 363 CB ALA A 24 -4.325 -13.611 -2.808 1.00 0.00 C ATOM 0 H ALA A 24 -3.641 -16.481 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.831 -14.659 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.512 -12.659 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.890 -13.651 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.261 -13.704 -2.591 1.00 0.00 H new ATOM 369 N SER A 25 -4.790 -14.610 -6.132 1.00 0.00 N ATOM 370 CA SER A 25 -4.219 -14.586 -7.472 1.00 0.00 C ATOM 371 C SER A 25 -3.349 -13.344 -7.669 1.00 0.00 C ATOM 372 O SER A 25 -3.645 -12.279 -7.122 1.00 0.00 O ATOM 373 CB SER A 25 -5.340 -14.610 -8.514 1.00 0.00 C ATOM 374 OG SER A 25 -4.836 -14.843 -9.818 1.00 0.00 O ATOM 0 H SER A 25 -5.809 -14.568 -6.109 1.00 0.00 H new ATOM 0 HA SER A 25 -3.591 -15.468 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.059 -15.387 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.876 -13.661 -8.495 1.00 0.00 H new ATOM 0 HG SER A 25 -5.578 -14.854 -10.458 1.00 0.00 H new ATOM 380 N LEU A 26 -2.284 -13.489 -8.459 1.00 0.00 N ATOM 381 CA LEU A 26 -1.360 -12.390 -8.728 1.00 0.00 C ATOM 382 C LEU A 26 -2.121 -11.201 -9.313 1.00 0.00 C ATOM 383 O LEU A 26 -1.848 -10.048 -8.976 1.00 0.00 O ATOM 384 CB LEU A 26 -0.259 -12.863 -9.694 1.00 0.00 C ATOM 385 CG LEU A 26 1.020 -12.011 -9.746 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.148 -12.802 -10.393 1.00 0.00 C ATOM 387 CD2 LEU A 26 0.795 -10.718 -10.514 1.00 0.00 C ATOM 0 H LEU A 26 -2.041 -14.363 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.892 -12.073 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.020 -13.881 -9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.681 -12.906 -10.698 1.00 0.00 H new ATOM 0 HG LEU A 26 1.293 -11.756 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.049 -12.190 -10.425 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.341 -13.703 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.862 -13.080 -11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.719 -10.140 -10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.492 -10.949 -11.535 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.012 -10.137 -10.026 1.00 0.00 H new ATOM 399 N GLN A 27 -3.088 -11.502 -10.176 1.00 0.00 N ATOM 400 CA GLN A 27 -3.948 -10.480 -10.763 1.00 0.00 C ATOM 401 C GLN A 27 -4.644 -9.704 -9.647 1.00 0.00 C ATOM 402 O GLN A 27 -4.597 -8.478 -9.606 1.00 0.00 O ATOM 403 CB GLN A 27 -4.989 -11.151 -11.675 1.00 0.00 C ATOM 404 CG GLN A 27 -5.633 -10.251 -12.735 1.00 0.00 C ATOM 405 CD GLN A 27 -6.347 -9.039 -12.173 1.00 0.00 C ATOM 406 OE1 GLN A 27 -5.674 -7.902 -12.196 1.00 0.00 O flip ATOM 407 NE2 GLN A 27 -7.507 -9.113 -11.766 1.00 0.00 N flip ATOM 0 H GLN A 27 -3.296 -12.452 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.351 -9.789 -11.357 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.512 -11.991 -12.181 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.780 -11.564 -11.048 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.861 -9.915 -13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.344 -10.841 -13.313 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.991 -10.011 -11.765 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.984 -8.276 -11.430 1.00 0.00 H new ATOM 416 N GLN A 28 -5.255 -10.438 -8.726 1.00 0.00 N ATOM 417 CA GLN A 28 -6.004 -9.838 -7.628 1.00 0.00 C ATOM 418 C GLN A 28 -5.114 -8.976 -6.738 1.00 0.00 C ATOM 419 O GLN A 28 -5.530 -7.907 -6.293 1.00 0.00 O ATOM 420 CB GLN A 28 -6.692 -10.928 -6.803 1.00 0.00 C ATOM 421 CG GLN A 28 -7.856 -11.587 -7.526 1.00 0.00 C ATOM 422 CD GLN A 28 -8.939 -10.592 -7.896 1.00 0.00 C ATOM 423 OE1 GLN A 28 -9.859 -10.346 -7.121 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.837 -10.019 -9.086 1.00 0.00 N ATOM 0 H GLN A 28 -5.246 -11.458 -8.718 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.762 -9.184 -8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.959 -11.690 -6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.052 -10.495 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.490 -12.076 -8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.281 -12.365 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.056 -10.252 -9.699 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.540 -9.345 -9.389 1.00 0.00 H new ATOM 433 N ILE A 29 -3.894 -9.439 -6.489 1.00 0.00 N ATOM 434 CA ILE A 29 -2.942 -8.688 -5.679 1.00 0.00 C ATOM 435 C ILE A 29 -2.634 -7.338 -6.326 1.00 0.00 C ATOM 436 O ILE A 29 -2.814 -6.289 -5.708 1.00 0.00 O ATOM 437 CB ILE A 29 -1.623 -9.472 -5.480 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.885 -10.791 -4.744 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.608 -8.630 -4.719 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.450 -10.610 -3.349 1.00 0.00 C ATOM 0 H ILE A 29 -3.541 -10.331 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.402 -8.529 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.211 -9.702 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.578 -11.393 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.952 -11.352 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.313 -9.199 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.396 -7.720 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.013 -8.367 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.609 -11.586 -2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.748 -10.036 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.399 -10.078 -3.407 1.00 0.00 H new ATOM 452 N ALA A 30 -2.199 -7.373 -7.579 1.00 0.00 N ATOM 453 CA ALA A 30 -1.834 -6.159 -8.298 1.00 0.00 C ATOM 454 C ALA A 30 -3.044 -5.251 -8.505 1.00 0.00 C ATOM 455 O ALA A 30 -2.940 -4.025 -8.403 1.00 0.00 O ATOM 456 CB ALA A 30 -1.202 -6.513 -9.634 1.00 0.00 C ATOM 0 H ALA A 30 -2.090 -8.231 -8.120 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.108 -5.614 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.933 -5.599 -10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.307 -7.112 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.912 -7.083 -10.233 1.00 0.00 H new ATOM 462 N ASN A 31 -4.191 -5.863 -8.779 1.00 0.00 N ATOM 463 CA ASN A 31 -5.427 -5.125 -9.034 1.00 0.00 C ATOM 464 C ASN A 31 -5.862 -4.357 -7.790 1.00 0.00 C ATOM 465 O ASN A 31 -6.293 -3.207 -7.870 1.00 0.00 O ATOM 466 CB ASN A 31 -6.538 -6.095 -9.447 1.00 0.00 C ATOM 467 CG ASN A 31 -7.484 -5.509 -10.473 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.058 -6.368 -11.303 1.00 0.00 O flip ATOM 469 ND2 ASN A 31 -7.699 -4.300 -10.524 1.00 0.00 N flip ATOM 0 H ASN A 31 -4.292 -6.877 -8.831 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.242 -4.415 -9.840 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.089 -7.002 -9.851 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.105 -6.387 -8.563 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.237 -3.672 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.339 -3.925 -11.224 1.00 0.00 H new ATOM 476 N ASP A 32 -5.728 -5.004 -6.637 1.00 0.00 N ATOM 477 CA ASP A 32 -6.134 -4.411 -5.368 1.00 0.00 C ATOM 478 C ASP A 32 -5.253 -3.220 -5.018 1.00 0.00 C ATOM 479 O ASP A 32 -5.741 -2.179 -4.571 1.00 0.00 O ATOM 480 CB ASP A 32 -6.062 -5.451 -4.247 1.00 0.00 C ATOM 481 CG ASP A 32 -6.611 -4.927 -2.936 1.00 0.00 C ATOM 482 OD1 ASP A 32 -7.850 -4.835 -2.804 1.00 0.00 O ATOM 483 OD2 ASP A 32 -5.810 -4.608 -2.031 1.00 0.00 O ATOM 0 H ASP A 32 -5.339 -5.944 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.163 -4.066 -5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.621 -6.339 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.026 -5.759 -4.107 1.00 0.00 H new ATOM 488 N LEU A 33 -3.952 -3.382 -5.229 1.00 0.00 N ATOM 489 CA LEU A 33 -2.988 -2.329 -4.943 1.00 0.00 C ATOM 490 C LEU A 33 -3.122 -1.181 -5.938 1.00 0.00 C ATOM 491 O LEU A 33 -2.848 -0.025 -5.609 1.00 0.00 O ATOM 492 CB LEU A 33 -1.560 -2.886 -4.968 1.00 0.00 C ATOM 493 CG LEU A 33 -1.060 -3.512 -3.661 1.00 0.00 C ATOM 494 CD1 LEU A 33 -1.965 -4.643 -3.199 1.00 0.00 C ATOM 495 CD2 LEU A 33 0.365 -4.016 -3.830 1.00 0.00 C ATOM 0 H LEU A 33 -3.540 -4.238 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.197 -1.944 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.498 -3.638 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.881 -2.079 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.078 -2.737 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.578 -5.062 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.971 -4.259 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.995 -5.420 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.708 -4.458 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.394 -4.768 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.016 -3.184 -4.098 1.00 0.00 H new ATOM 507 N GLY A 34 -3.548 -1.509 -7.149 1.00 0.00 N ATOM 508 CA GLY A 34 -3.761 -0.499 -8.163 1.00 0.00 C ATOM 509 C GLY A 34 -2.535 -0.274 -9.024 1.00 0.00 C ATOM 510 O GLY A 34 -2.309 0.836 -9.512 1.00 0.00 O ATOM 0 H GLY A 34 -3.751 -2.463 -7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.597 -0.796 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.042 0.439 -7.684 1.00 0.00 H new ATOM 514 N ILE A 35 -1.750 -1.328 -9.215 1.00 0.00 N ATOM 515 CA ILE A 35 -0.538 -1.254 -10.008 1.00 0.00 C ATOM 516 C ILE A 35 -0.486 -2.399 -11.005 1.00 0.00 C ATOM 517 O ILE A 35 -1.184 -3.402 -10.847 1.00 0.00 O ATOM 518 CB ILE A 35 0.723 -1.305 -9.121 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.684 -2.533 -8.206 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.858 -0.028 -8.306 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.922 -2.694 -7.344 1.00 0.00 C ATOM 0 H ILE A 35 -1.938 -2.252 -8.825 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.556 -0.301 -10.537 1.00 0.00 H new ATOM 0 HB ILE A 35 1.597 -1.387 -9.768 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.191 -2.465 -7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.560 -3.427 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.754 -0.084 -7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.935 0.826 -8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.017 0.090 -7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.820 -3.585 -6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.800 -2.795 -7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.037 -1.818 -6.705 1.00 0.00 H new ATOM 533 N ASN A 36 0.324 -2.236 -12.036 1.00 0.00 N ATOM 534 CA ASN A 36 0.536 -3.282 -13.016 1.00 0.00 C ATOM 535 C ASN A 36 1.248 -4.463 -12.373 1.00 0.00 C ATOM 536 O ASN A 36 2.030 -4.295 -11.433 1.00 0.00 O ATOM 537 CB ASN A 36 1.363 -2.750 -14.187 1.00 0.00 C ATOM 538 CG ASN A 36 1.353 -3.692 -15.373 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.186 -4.592 -15.481 1.00 0.00 O ATOM 540 ND2 ASN A 36 0.410 -3.485 -16.275 1.00 0.00 N ATOM 0 H ASN A 36 0.849 -1.380 -12.215 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.433 -3.612 -13.390 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.972 -1.780 -14.493 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.391 -2.591 -13.861 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.353 -4.083 -17.100 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.261 -2.727 -16.147 1.00 0.00 H new ATOM 547 N ARG A 37 0.975 -5.654 -12.884 1.00 0.00 N ATOM 548 CA ARG A 37 1.570 -6.869 -12.366 1.00 0.00 C ATOM 549 C ARG A 37 3.086 -6.843 -12.500 1.00 0.00 C ATOM 550 O ARG A 37 3.797 -7.425 -11.686 1.00 0.00 O ATOM 551 CB ARG A 37 0.994 -8.073 -13.099 1.00 0.00 C ATOM 552 CG ARG A 37 1.233 -8.072 -14.598 1.00 0.00 C ATOM 553 CD ARG A 37 0.561 -9.265 -15.255 1.00 0.00 C ATOM 554 NE ARG A 37 0.737 -9.275 -16.705 1.00 0.00 N ATOM 555 CZ ARG A 37 0.594 -10.366 -17.458 1.00 0.00 C ATOM 556 NH1 ARG A 37 0.315 -11.533 -16.892 1.00 0.00 N ATOM 557 NH2 ARG A 37 0.734 -10.293 -18.772 1.00 0.00 N ATOM 0 H ARG A 37 0.337 -5.802 -13.666 1.00 0.00 H new ATOM 0 HA ARG A 37 1.333 -6.944 -11.305 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.425 -8.980 -12.676 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.080 -8.115 -12.915 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.848 -7.149 -15.031 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.304 -8.096 -14.800 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.969 -10.185 -14.836 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.504 -9.253 -15.021 1.00 0.00 H new ATOM 0 HE ARG A 37 0.983 -8.399 -17.167 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.210 -11.596 -15.879 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.206 -12.367 -17.469 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.952 -9.399 -19.213 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.624 -11.130 -19.344 1.00 0.00 H new ATOM 571 N VAL A 38 3.574 -6.162 -13.527 1.00 0.00 N ATOM 572 CA VAL A 38 5.010 -6.031 -13.735 1.00 0.00 C ATOM 573 C VAL A 38 5.594 -5.033 -12.738 1.00 0.00 C ATOM 574 O VAL A 38 6.675 -5.248 -12.196 1.00 0.00 O ATOM 575 CB VAL A 38 5.342 -5.587 -15.178 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.853 -5.478 -15.385 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.732 -6.555 -16.184 1.00 0.00 C ATOM 0 H VAL A 38 3.000 -5.693 -14.227 1.00 0.00 H new ATOM 0 HA VAL A 38 5.458 -7.012 -13.576 1.00 0.00 H new ATOM 0 HB VAL A 38 4.909 -4.599 -15.338 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.058 -5.164 -16.408 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.263 -4.744 -14.691 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.316 -6.448 -15.203 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.974 -6.229 -17.196 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.135 -7.554 -16.018 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.649 -6.575 -16.059 1.00 0.00 H new ATOM 587 N THR A 39 4.860 -3.953 -12.486 1.00 0.00 N ATOM 588 CA THR A 39 5.271 -2.963 -11.500 1.00 0.00 C ATOM 589 C THR A 39 5.374 -3.608 -10.116 1.00 0.00 C ATOM 590 O THR A 39 6.315 -3.352 -9.360 1.00 0.00 O ATOM 591 CB THR A 39 4.269 -1.789 -11.453 1.00 0.00 C ATOM 592 OG1 THR A 39 3.975 -1.345 -12.784 1.00 0.00 O ATOM 593 CG2 THR A 39 4.831 -0.629 -10.645 1.00 0.00 C ATOM 0 H THR A 39 3.977 -3.743 -12.952 1.00 0.00 H new ATOM 0 HA THR A 39 6.248 -2.577 -11.792 1.00 0.00 H new ATOM 0 HB THR A 39 3.356 -2.139 -10.973 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.338 -0.601 -12.748 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.107 0.186 -10.626 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.032 -0.959 -9.626 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.757 -0.281 -11.103 1.00 0.00 H new ATOM 601 N LEU A 40 4.396 -4.456 -9.805 1.00 0.00 N ATOM 602 CA LEU A 40 4.404 -5.232 -8.574 1.00 0.00 C ATOM 603 C LEU A 40 5.623 -6.150 -8.536 1.00 0.00 C ATOM 604 O LEU A 40 6.342 -6.208 -7.540 1.00 0.00 O ATOM 605 CB LEU A 40 3.121 -6.065 -8.476 1.00 0.00 C ATOM 606 CG LEU A 40 3.022 -6.981 -7.253 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.950 -6.165 -5.972 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.818 -7.899 -7.375 1.00 0.00 C ATOM 0 H LEU A 40 3.582 -4.622 -10.397 1.00 0.00 H new ATOM 0 HA LEU A 40 4.453 -4.548 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.268 -5.387 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.036 -6.677 -9.374 1.00 0.00 H new ATOM 0 HG LEU A 40 3.921 -7.596 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.880 -6.837 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.847 -5.552 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.071 -5.521 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.762 -8.544 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.910 -7.300 -7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.917 -8.512 -8.270 1.00 0.00 H new ATOM 620 N LYS A 41 5.845 -6.851 -9.643 1.00 0.00 N ATOM 621 CA LYS A 41 6.972 -7.766 -9.777 1.00 0.00 C ATOM 622 C LYS A 41 8.291 -7.042 -9.514 1.00 0.00 C ATOM 623 O LYS A 41 9.143 -7.526 -8.768 1.00 0.00 O ATOM 624 CB LYS A 41 6.991 -8.354 -11.184 1.00 0.00 C ATOM 625 CG LYS A 41 7.966 -9.499 -11.346 1.00 0.00 C ATOM 626 CD LYS A 41 7.405 -10.788 -10.785 1.00 0.00 C ATOM 627 CE LYS A 41 8.382 -11.938 -10.971 1.00 0.00 C ATOM 628 NZ LYS A 41 8.682 -12.190 -12.408 1.00 0.00 N ATOM 0 H LYS A 41 5.250 -6.801 -10.470 1.00 0.00 H new ATOM 0 HA LYS A 41 6.857 -8.564 -9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.989 -8.701 -11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.245 -7.567 -11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.200 -9.632 -12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.901 -9.257 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.185 -10.661 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.463 -11.024 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.308 -11.716 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.968 -12.841 -10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.137 -13.120 -12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.798 -12.176 -12.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.321 -11.451 -12.764 1.00 0.00 H new ATOM 642 N ASN A 42 8.443 -5.888 -10.147 1.00 0.00 N ATOM 643 CA ASN A 42 9.631 -5.048 -9.986 1.00 0.00 C ATOM 644 C ASN A 42 9.880 -4.700 -8.522 1.00 0.00 C ATOM 645 O ASN A 42 11.019 -4.748 -8.051 1.00 0.00 O ATOM 646 CB ASN A 42 9.491 -3.765 -10.811 1.00 0.00 C ATOM 647 CG ASN A 42 9.723 -3.990 -12.293 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.552 -5.096 -12.804 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.121 -2.941 -12.995 1.00 0.00 N ATOM 0 H ASN A 42 7.749 -5.503 -10.788 1.00 0.00 H new ATOM 0 HA ASN A 42 10.488 -5.618 -10.346 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.494 -3.350 -10.663 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.202 -3.024 -10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.297 -3.034 -13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.252 -2.040 -12.536 1.00 0.00 H new ATOM 656 N TRP A 43 8.815 -4.353 -7.805 1.00 0.00 N ATOM 657 CA TRP A 43 8.910 -4.067 -6.377 1.00 0.00 C ATOM 658 C TRP A 43 9.435 -5.282 -5.624 1.00 0.00 C ATOM 659 O TRP A 43 10.308 -5.163 -4.761 1.00 0.00 O ATOM 660 CB TRP A 43 7.544 -3.668 -5.811 1.00 0.00 C ATOM 661 CG TRP A 43 7.119 -2.267 -6.144 1.00 0.00 C ATOM 662 CD1 TRP A 43 7.784 -1.360 -6.918 1.00 0.00 C ATOM 663 CD2 TRP A 43 5.929 -1.613 -5.692 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.079 -0.181 -6.974 1.00 0.00 N ATOM 665 CE2 TRP A 43 5.931 -0.314 -6.233 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.856 -2.004 -4.886 1.00 0.00 C ATOM 667 CZ2 TRP A 43 4.906 0.599 -5.982 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.841 -1.102 -4.640 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.868 0.185 -5.192 1.00 0.00 C ATOM 0 H TRP A 43 7.875 -4.263 -8.190 1.00 0.00 H new ATOM 0 HA TRP A 43 9.604 -3.236 -6.247 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.792 -4.362 -6.187 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.567 -3.780 -4.727 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.726 -1.542 -7.414 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.363 0.656 -7.483 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.822 -2.997 -4.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.931 1.596 -6.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.012 -1.393 -4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.053 0.864 -4.990 1.00 0.00 H new ATOM 680 N ILE A 44 8.903 -6.444 -5.971 1.00 0.00 N ATOM 681 CA ILE A 44 9.283 -7.691 -5.330 1.00 0.00 C ATOM 682 C ILE A 44 10.760 -8.002 -5.555 1.00 0.00 C ATOM 683 O ILE A 44 11.482 -8.280 -4.611 1.00 0.00 O ATOM 684 CB ILE A 44 8.430 -8.866 -5.854 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.943 -8.589 -5.617 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.841 -10.171 -5.185 1.00 0.00 C ATOM 687 CD1 ILE A 44 6.021 -9.592 -6.274 1.00 0.00 C ATOM 0 H ILE A 44 8.199 -6.548 -6.702 1.00 0.00 H new ATOM 0 HA ILE A 44 9.106 -7.568 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 44 8.601 -8.964 -6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.751 -8.582 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.705 -7.593 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.227 -10.986 -5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.890 -10.375 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.700 -10.087 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.985 -9.328 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.183 -9.583 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.230 -10.588 -5.884 1.00 0.00 H new ATOM 699 N ILE A 45 11.200 -7.934 -6.804 1.00 0.00 N ATOM 700 CA ILE A 45 12.576 -8.282 -7.151 1.00 0.00 C ATOM 701 C ILE A 45 13.575 -7.316 -6.508 1.00 0.00 C ATOM 702 O ILE A 45 14.644 -7.724 -6.046 1.00 0.00 O ATOM 703 CB ILE A 45 12.780 -8.287 -8.684 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.812 -9.271 -9.349 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.217 -8.649 -9.031 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.893 -9.277 -10.862 1.00 0.00 C ATOM 0 H ILE A 45 10.626 -7.642 -7.595 1.00 0.00 H new ATOM 0 HA ILE A 45 12.758 -9.285 -6.764 1.00 0.00 H new ATOM 0 HB ILE A 45 12.574 -7.285 -9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.018 -10.275 -8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.794 -9.023 -9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.341 -8.647 -10.114 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.894 -7.919 -8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.447 -9.641 -8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.179 -9.997 -11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.657 -8.283 -11.243 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.901 -9.555 -11.171 1.00 0.00 H new ATOM 718 N LYS A 46 13.213 -6.041 -6.464 1.00 0.00 N ATOM 719 CA LYS A 46 14.110 -5.010 -5.958 1.00 0.00 C ATOM 720 C LYS A 46 14.278 -5.109 -4.444 1.00 0.00 C ATOM 721 O LYS A 46 15.401 -5.127 -3.941 1.00 0.00 O ATOM 722 CB LYS A 46 13.590 -3.622 -6.347 1.00 0.00 C ATOM 723 CG LYS A 46 14.514 -2.485 -5.943 1.00 0.00 C ATOM 724 CD LYS A 46 14.004 -1.151 -6.461 1.00 0.00 C ATOM 725 CE LYS A 46 14.906 0.001 -6.045 1.00 0.00 C ATOM 726 NZ LYS A 46 16.311 -0.195 -6.492 1.00 0.00 N ATOM 0 H LYS A 46 12.304 -5.695 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 46 15.089 -5.165 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.440 -3.590 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.615 -3.467 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.596 -2.449 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.515 -2.671 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.937 -1.185 -7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.996 -0.977 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.520 0.931 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.883 0.105 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.841 0.691 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.755 -0.945 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.321 -0.469 -7.495 1.00 0.00 H new ATOM 740 N TYR A 47 13.168 -5.183 -3.721 1.00 0.00 N ATOM 741 CA TYR A 47 13.220 -5.197 -2.261 1.00 0.00 C ATOM 742 C TYR A 47 13.415 -6.611 -1.725 1.00 0.00 C ATOM 743 O TYR A 47 14.155 -6.827 -0.767 1.00 0.00 O ATOM 744 CB TYR A 47 11.947 -4.577 -1.677 1.00 0.00 C ATOM 745 CG TYR A 47 11.850 -3.076 -1.872 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.844 -2.517 -3.145 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.769 -2.217 -0.781 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.763 -1.151 -3.325 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.684 -0.850 -0.956 1.00 0.00 C ATOM 750 CZ TYR A 47 11.684 -0.322 -2.227 1.00 0.00 C ATOM 751 OH TYR A 47 11.591 1.041 -2.405 1.00 0.00 O ATOM 0 H TYR A 47 12.228 -5.234 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 47 14.078 -4.601 -1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.080 -5.050 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.903 -4.799 -0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.904 -3.163 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.773 -2.626 0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.762 -0.734 -4.321 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.618 -0.197 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 47 11.859 1.498 -1.580 1.00 0.00 H new ATOM 761 N GLY A 48 12.769 -7.574 -2.361 1.00 0.00 N ATOM 762 CA GLY A 48 12.952 -8.960 -1.995 1.00 0.00 C ATOM 763 C GLY A 48 13.745 -9.698 -3.051 1.00 0.00 C ATOM 764 O GLY A 48 13.199 -10.521 -3.788 1.00 0.00 O ATOM 0 H GLY A 48 12.117 -7.418 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.469 -9.022 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.981 -9.437 -1.865 1.00 0.00 H new ATOM 928 N ALA A 61 18.417 -27.876 6.408 1.00 0.00 N ATOM 929 CA ALA A 61 17.596 -28.044 5.218 1.00 0.00 C ATOM 930 C ALA A 61 18.315 -28.868 4.159 1.00 0.00 C ATOM 931 O ALA A 61 17.785 -29.091 3.069 1.00 0.00 O ATOM 932 CB ALA A 61 17.185 -26.691 4.650 1.00 0.00 C ATOM 0 HA ALA A 61 16.697 -28.586 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.572 -26.841 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.613 -26.141 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.076 -26.122 4.385 1.00 0.00 H new ATOM 938 N VAL A 62 19.514 -29.333 4.485 1.00 0.00 N ATOM 939 CA VAL A 62 20.278 -30.165 3.561 1.00 0.00 C ATOM 940 C VAL A 62 19.606 -31.523 3.400 1.00 0.00 C ATOM 941 O VAL A 62 19.678 -32.145 2.341 1.00 0.00 O ATOM 942 CB VAL A 62 21.735 -30.357 4.030 1.00 0.00 C ATOM 943 CG1 VAL A 62 22.501 -31.314 3.122 1.00 0.00 C ATOM 944 CG2 VAL A 62 22.444 -29.016 4.091 1.00 0.00 C ATOM 0 H VAL A 62 19.977 -29.151 5.375 1.00 0.00 H new ATOM 0 HA VAL A 62 20.301 -29.650 2.600 1.00 0.00 H new ATOM 0 HB VAL A 62 21.706 -30.798 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.523 -31.422 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 62 22.010 -32.287 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.518 -30.917 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 62 23.472 -29.163 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 62 22.444 -28.559 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.926 -28.362 4.792 1.00 0.00 H new ATOM 954 N SER A 63 18.940 -31.965 4.455 1.00 0.00 N ATOM 955 CA SER A 63 18.172 -33.199 4.420 1.00 0.00 C ATOM 956 C SER A 63 17.029 -33.077 3.410 1.00 0.00 C ATOM 957 O SER A 63 16.744 -34.004 2.655 1.00 0.00 O ATOM 958 CB SER A 63 17.617 -33.489 5.815 1.00 0.00 C ATOM 959 OG SER A 63 18.608 -33.263 6.802 1.00 0.00 O ATOM 0 H SER A 63 18.916 -31.482 5.353 1.00 0.00 H new ATOM 0 HA SER A 63 18.819 -34.021 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.752 -32.854 6.008 1.00 0.00 H new ATOM 0 HB3 SER A 63 17.272 -34.522 5.868 1.00 0.00 H new ATOM 0 HG SER A 63 18.236 -33.452 7.689 1.00 0.00 H new ATOM 965 N GLU A 64 16.404 -31.903 3.390 1.00 0.00 N ATOM 966 CA GLU A 64 15.306 -31.629 2.473 1.00 0.00 C ATOM 967 C GLU A 64 15.830 -31.434 1.054 1.00 0.00 C ATOM 968 O GLU A 64 15.104 -31.634 0.084 1.00 0.00 O ATOM 969 CB GLU A 64 14.541 -30.381 2.927 1.00 0.00 C ATOM 970 CG GLU A 64 13.382 -29.999 2.014 1.00 0.00 C ATOM 971 CD GLU A 64 12.749 -28.682 2.399 1.00 0.00 C ATOM 972 OE1 GLU A 64 13.339 -27.624 2.096 1.00 0.00 O ATOM 973 OE2 GLU A 64 11.654 -28.698 3.003 1.00 0.00 O ATOM 0 H GLU A 64 16.642 -31.123 4.003 1.00 0.00 H new ATOM 0 HA GLU A 64 14.629 -32.483 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.157 -30.548 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.235 -29.543 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.739 -29.940 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.626 -30.784 2.045 1.00 0.00 H new ATOM 980 N ALA A 65 17.099 -31.061 0.941 1.00 0.00 N ATOM 981 CA ALA A 65 17.731 -30.844 -0.359 1.00 0.00 C ATOM 982 C ALA A 65 17.702 -32.121 -1.188 1.00 0.00 C ATOM 983 O ALA A 65 17.615 -32.074 -2.412 1.00 0.00 O ATOM 984 CB ALA A 65 19.159 -30.352 -0.186 1.00 0.00 C ATOM 0 H ALA A 65 17.716 -30.901 1.738 1.00 0.00 H new ATOM 0 HA ALA A 65 17.167 -30.077 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.611 -30.197 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.156 -29.412 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 65 19.735 -31.094 0.366 1.00 0.00 H new ATOM 990 N GLU A 66 17.757 -33.260 -0.507 1.00 0.00 N ATOM 991 CA GLU A 66 17.642 -34.558 -1.165 1.00 0.00 C ATOM 992 C GLU A 66 16.247 -34.721 -1.759 1.00 0.00 C ATOM 993 O GLU A 66 16.078 -35.254 -2.856 1.00 0.00 O ATOM 994 CB GLU A 66 17.931 -35.681 -0.163 1.00 0.00 C ATOM 995 CG GLU A 66 17.844 -37.086 -0.748 1.00 0.00 C ATOM 996 CD GLU A 66 18.857 -37.367 -1.849 1.00 0.00 C ATOM 997 OE1 GLU A 66 19.800 -36.571 -2.033 1.00 0.00 O ATOM 998 OE2 GLU A 66 18.708 -38.404 -2.537 1.00 0.00 O ATOM 0 H GLU A 66 17.881 -33.312 0.504 1.00 0.00 H new ATOM 0 HA GLU A 66 18.373 -34.614 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.929 -35.534 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.227 -35.602 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.985 -37.811 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.841 -37.241 -1.145 1.00 0.00 H new ATOM 1005 N GLN A 67 15.250 -34.244 -1.023 1.00 0.00 N ATOM 1006 CA GLN A 67 13.872 -34.271 -1.496 1.00 0.00 C ATOM 1007 C GLN A 67 13.699 -33.274 -2.637 1.00 0.00 C ATOM 1008 O GLN A 67 13.144 -33.596 -3.686 1.00 0.00 O ATOM 1009 CB GLN A 67 12.894 -33.923 -0.371 1.00 0.00 C ATOM 1010 CG GLN A 67 13.097 -34.704 0.922 1.00 0.00 C ATOM 1011 CD GLN A 67 13.146 -36.206 0.722 1.00 0.00 C ATOM 1012 OE1 GLN A 67 12.115 -36.878 0.693 1.00 0.00 O ATOM 1013 NE2 GLN A 67 14.347 -36.748 0.623 1.00 0.00 N ATOM 0 H GLN A 67 15.370 -33.834 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 67 13.655 -35.280 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.979 -32.859 -0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.878 -34.095 -0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.025 -34.378 1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.289 -34.464 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.177 -36.156 0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.444 -37.758 0.518 1.00 0.00 H new ATOM 1022 N ILE A 68 14.198 -32.062 -2.413 1.00 0.00 N ATOM 1023 CA ILE A 68 14.143 -30.982 -3.398 1.00 0.00 C ATOM 1024 C ILE A 68 14.867 -31.373 -4.681 1.00 0.00 C ATOM 1025 O ILE A 68 14.466 -30.981 -5.775 1.00 0.00 O ATOM 1026 CB ILE A 68 14.761 -29.687 -2.816 1.00 0.00 C ATOM 1027 CG1 ILE A 68 13.903 -29.172 -1.657 1.00 0.00 C ATOM 1028 CG2 ILE A 68 14.920 -28.614 -3.881 1.00 0.00 C ATOM 1029 CD1 ILE A 68 12.459 -28.897 -2.037 1.00 0.00 C ATOM 0 H ILE A 68 14.654 -31.798 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 68 13.095 -30.800 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 68 15.757 -29.927 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.923 -29.904 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.347 -28.256 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.357 -27.720 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.574 -28.981 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.944 -28.370 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.916 -28.536 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.427 -28.142 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.996 -29.816 -2.398 1.00 0.00 H new ATOM 1041 N ARG A 69 15.924 -32.153 -4.522 1.00 0.00 N ATOM 1042 CA ARG A 69 16.702 -32.684 -5.639 1.00 0.00 C ATOM 1043 C ARG A 69 15.790 -33.354 -6.666 1.00 0.00 C ATOM 1044 O ARG A 69 15.903 -33.112 -7.867 1.00 0.00 O ATOM 1045 CB ARG A 69 17.711 -33.691 -5.084 1.00 0.00 C ATOM 1046 CG ARG A 69 18.720 -34.222 -6.082 1.00 0.00 C ATOM 1047 CD ARG A 69 19.649 -35.218 -5.404 1.00 0.00 C ATOM 1048 NE ARG A 69 20.738 -35.646 -6.275 1.00 0.00 N ATOM 1049 CZ ARG A 69 21.754 -36.403 -5.869 1.00 0.00 C ATOM 1050 NH1 ARG A 69 21.809 -36.829 -4.609 1.00 0.00 N ATOM 1051 NH2 ARG A 69 22.712 -36.733 -6.728 1.00 0.00 N ATOM 0 H ARG A 69 16.272 -32.440 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 69 17.223 -31.871 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.252 -33.222 -4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.163 -34.534 -4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.203 -34.702 -6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 69 19.299 -33.398 -6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 69 20.064 -34.768 -4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.075 -36.090 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 69 20.720 -35.348 -7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 69 21.071 -36.575 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 69 22.589 -37.409 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 69 22.666 -36.406 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 69 23.493 -37.313 -6.422 1.00 0.00 H new ATOM 1065 N GLN A 70 14.897 -34.193 -6.170 1.00 0.00 N ATOM 1066 CA GLN A 70 13.932 -34.886 -6.998 1.00 0.00 C ATOM 1067 C GLN A 70 12.751 -33.979 -7.332 1.00 0.00 C ATOM 1068 O GLN A 70 12.335 -33.868 -8.482 1.00 0.00 O ATOM 1069 CB GLN A 70 13.431 -36.108 -6.246 1.00 0.00 C ATOM 1070 CG GLN A 70 12.613 -37.049 -7.102 1.00 0.00 C ATOM 1071 CD GLN A 70 12.124 -38.263 -6.335 1.00 0.00 C ATOM 1072 OE1 GLN A 70 11.909 -38.200 -5.123 1.00 0.00 O ATOM 1073 NE2 GLN A 70 11.945 -39.375 -7.030 1.00 0.00 N ATOM 0 H GLN A 70 14.823 -34.412 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 70 14.413 -35.182 -7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.285 -36.649 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.827 -35.782 -5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.756 -36.512 -7.508 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.214 -37.378 -7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.134 -39.386 -8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.618 -40.221 -6.563 1.00 0.00 H new ATOM 1082 N LEU A 71 12.226 -33.346 -6.296 1.00 0.00 N ATOM 1083 CA LEU A 71 10.990 -32.573 -6.387 1.00 0.00 C ATOM 1084 C LEU A 71 11.129 -31.351 -7.300 1.00 0.00 C ATOM 1085 O LEU A 71 10.349 -31.187 -8.240 1.00 0.00 O ATOM 1086 CB LEU A 71 10.555 -32.141 -4.975 1.00 0.00 C ATOM 1087 CG LEU A 71 9.073 -31.761 -4.791 1.00 0.00 C ATOM 1088 CD1 LEU A 71 8.750 -30.428 -5.447 1.00 0.00 C ATOM 1089 CD2 LEU A 71 8.175 -32.860 -5.343 1.00 0.00 C ATOM 0 H LEU A 71 12.643 -33.351 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 71 10.228 -33.212 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.786 -32.953 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.164 -31.287 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 71 8.886 -31.654 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.696 -30.194 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.363 -29.645 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.959 -30.488 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.131 -32.579 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.378 -32.997 -6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.372 -33.792 -4.813 1.00 0.00 H new ATOM 1101 N LYS A 72 12.111 -30.498 -7.029 1.00 0.00 N ATOM 1102 CA LYS A 72 12.183 -29.194 -7.684 1.00 0.00 C ATOM 1103 C LYS A 72 13.031 -29.251 -8.957 1.00 0.00 C ATOM 1104 O LYS A 72 13.259 -28.232 -9.611 1.00 0.00 O ATOM 1105 CB LYS A 72 12.727 -28.138 -6.709 1.00 0.00 C ATOM 1106 CG LYS A 72 12.477 -26.699 -7.148 1.00 0.00 C ATOM 1107 CD LYS A 72 12.836 -25.698 -6.059 1.00 0.00 C ATOM 1108 CE LYS A 72 14.328 -25.672 -5.784 1.00 0.00 C ATOM 1109 NZ LYS A 72 14.668 -24.754 -4.663 1.00 0.00 N ATOM 0 H LYS A 72 12.864 -30.683 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 72 11.173 -28.909 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.271 -28.293 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.800 -28.289 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.062 -26.486 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.428 -26.580 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.504 -24.703 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.302 -25.951 -5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.671 -26.679 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.858 -25.359 -6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.696 -24.764 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.363 -23.788 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.183 -25.067 -3.798 1.00 0.00 H new