USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 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 11 LYS NZ :NH3+ 180:sc= 2.58 (180deg=1.33) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.1: A 27 GLN : amide:sc= -1.35 K(o=-1.4,f=-3.3!) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.104 K(o=-1.4,f=-4) USER MOD Single : A 7 SER OG : rot 33:sc= 0.154 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.08 K(o=1.1,f=-0.038) USER MOD Single : A 21 SER OG : rot -94:sc= 0.824 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.198 K(o=-0.2,f=-0.89) USER MOD Single : A 36 ASN : amide:sc= 0.752 K(o=0.75,f=-6.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0179) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= -0.0619 (180deg=-0.435) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 6.285 4.246 1.602 1.00 0.00 N ATOM 106 CA SER A 7 7.222 3.652 2.540 1.00 0.00 C ATOM 107 C SER A 7 7.621 2.234 2.136 1.00 0.00 C ATOM 108 O SER A 7 6.902 1.554 1.394 1.00 0.00 O ATOM 109 CB SER A 7 6.608 3.653 3.941 1.00 0.00 C ATOM 110 OG SER A 7 6.197 4.961 4.311 1.00 0.00 O ATOM 0 HA SER A 7 8.131 4.253 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.753 2.977 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.335 3.278 4.662 1.00 0.00 H new ATOM 0 HG SER A 7 5.894 5.446 3.515 1.00 0.00 H new ATOM 116 N GLU A 8 8.781 1.807 2.632 1.00 0.00 N ATOM 117 CA GLU A 8 9.294 0.462 2.396 1.00 0.00 C ATOM 118 C GLU A 8 8.270 -0.586 2.802 1.00 0.00 C ATOM 119 O GLU A 8 8.116 -1.608 2.139 1.00 0.00 O ATOM 120 CB GLU A 8 10.575 0.249 3.210 1.00 0.00 C ATOM 121 CG GLU A 8 11.767 1.043 2.714 1.00 0.00 C ATOM 122 CD GLU A 8 12.322 0.496 1.419 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.845 -0.640 1.431 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.224 1.192 0.385 1.00 0.00 O ATOM 0 H GLU A 8 9.391 2.386 3.209 1.00 0.00 H new ATOM 0 HA GLU A 8 9.504 0.358 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.381 0.517 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.828 -0.811 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.474 2.083 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.548 1.034 3.474 1.00 0.00 H new ATOM 131 N GLU A 9 7.571 -0.297 3.888 1.00 0.00 N ATOM 132 CA GLU A 9 6.640 -1.224 4.514 1.00 0.00 C ATOM 133 C GLU A 9 5.612 -1.781 3.528 1.00 0.00 C ATOM 134 O GLU A 9 5.495 -2.992 3.391 1.00 0.00 O ATOM 135 CB GLU A 9 5.950 -0.492 5.663 1.00 0.00 C ATOM 136 CG GLU A 9 5.211 -1.387 6.636 1.00 0.00 C ATOM 137 CD GLU A 9 4.848 -0.650 7.906 1.00 0.00 C ATOM 138 OE1 GLU A 9 5.685 -0.615 8.834 1.00 0.00 O ATOM 139 OE2 GLU A 9 3.736 -0.085 7.977 1.00 0.00 O ATOM 0 H GLU A 9 7.635 0.601 4.367 1.00 0.00 H new ATOM 0 HA GLU A 9 7.195 -2.086 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.699 0.078 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.245 0.227 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.305 -1.768 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.831 -2.250 6.880 1.00 0.00 H new ATOM 146 N PHE A 10 4.896 -0.910 2.822 1.00 0.00 N ATOM 147 CA PHE A 10 3.873 -1.367 1.879 1.00 0.00 C ATOM 148 C PHE A 10 4.500 -2.136 0.724 1.00 0.00 C ATOM 149 O PHE A 10 4.002 -3.186 0.324 1.00 0.00 O ATOM 150 CB PHE A 10 3.058 -0.195 1.333 1.00 0.00 C ATOM 151 CG PHE A 10 1.925 -0.617 0.431 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.693 -0.963 0.964 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.094 -0.669 -0.944 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.350 -1.348 0.146 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.055 -1.054 -1.769 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.169 -1.396 -1.223 1.00 0.00 C ATOM 0 H PHE A 10 5.001 0.103 2.881 1.00 0.00 H new ATOM 0 HA PHE A 10 3.204 -2.032 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.653 0.376 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.721 0.473 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.547 -0.931 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.049 -0.406 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.306 -1.611 0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.198 -1.088 -2.839 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.982 -1.700 -1.866 1.00 0.00 H new ATOM 166 N LYS A 11 5.595 -1.610 0.194 1.00 0.00 N ATOM 167 CA LYS A 11 6.304 -2.249 -0.906 1.00 0.00 C ATOM 168 C LYS A 11 6.768 -3.649 -0.507 1.00 0.00 C ATOM 169 O LYS A 11 6.737 -4.580 -1.307 1.00 0.00 O ATOM 170 CB LYS A 11 7.496 -1.384 -1.325 1.00 0.00 C ATOM 171 CG LYS A 11 7.098 0.043 -1.679 1.00 0.00 C ATOM 172 CD LYS A 11 8.278 0.856 -2.190 1.00 0.00 C ATOM 173 CE LYS A 11 9.330 1.027 -1.116 1.00 0.00 C ATOM 174 NZ LYS A 11 10.504 1.813 -1.579 1.00 0.00 N ATOM 0 H LYS A 11 6.014 -0.736 0.511 1.00 0.00 H new ATOM 0 HA LYS A 11 5.625 -2.349 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.225 -1.362 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.987 -1.842 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.316 0.023 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.676 0.530 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.716 0.361 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.932 1.834 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.885 1.522 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.665 0.045 -0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.192 1.899 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.949 1.330 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.193 2.761 -1.872 1.00 0.00 H new ATOM 188 N ARG A 12 7.180 -3.785 0.747 1.00 0.00 N ATOM 189 CA ARG A 12 7.602 -5.070 1.291 1.00 0.00 C ATOM 190 C ARG A 12 6.397 -5.966 1.581 1.00 0.00 C ATOM 191 O ARG A 12 6.447 -7.177 1.360 1.00 0.00 O ATOM 192 CB ARG A 12 8.429 -4.845 2.558 1.00 0.00 C ATOM 193 CG ARG A 12 9.764 -4.176 2.281 1.00 0.00 C ATOM 194 CD ARG A 12 10.547 -3.913 3.555 1.00 0.00 C ATOM 195 NE ARG A 12 11.657 -2.987 3.329 1.00 0.00 N ATOM 196 CZ ARG A 12 12.604 -2.723 4.227 1.00 0.00 C ATOM 197 NH1 ARG A 12 12.638 -3.382 5.380 1.00 0.00 N ATOM 198 NH2 ARG A 12 13.527 -1.809 3.955 1.00 0.00 N ATOM 0 H ARG A 12 7.231 -3.013 1.412 1.00 0.00 H new ATOM 0 HA ARG A 12 8.219 -5.579 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.858 -4.231 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.603 -5.803 3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.354 -4.807 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.595 -3.234 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.880 -3.503 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.933 -4.855 3.945 1.00 0.00 H new ATOM 0 HE ARG A 12 11.709 -2.514 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.936 -4.094 5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.366 -3.176 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.508 -1.314 3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.256 -1.601 4.638 1.00 0.00 H new ATOM 212 N ASP A 13 5.322 -5.355 2.067 1.00 0.00 N ATOM 213 CA ASP A 13 4.073 -6.065 2.340 1.00 0.00 C ATOM 214 C ASP A 13 3.488 -6.624 1.046 1.00 0.00 C ATOM 215 O ASP A 13 2.932 -7.721 1.023 1.00 0.00 O ATOM 216 CB ASP A 13 3.077 -5.113 3.013 1.00 0.00 C ATOM 217 CG ASP A 13 1.777 -5.782 3.411 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.762 -6.512 4.427 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.755 -5.544 2.734 1.00 0.00 O ATOM 0 H ASP A 13 5.289 -4.359 2.283 1.00 0.00 H new ATOM 0 HA ASP A 13 4.275 -6.899 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.541 -4.682 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.859 -4.288 2.334 1.00 0.00 H new ATOM 224 N ALA A 14 3.645 -5.866 -0.037 1.00 0.00 N ATOM 225 CA ALA A 14 3.228 -6.304 -1.364 1.00 0.00 C ATOM 226 C ALA A 14 4.009 -7.543 -1.796 1.00 0.00 C ATOM 227 O ALA A 14 3.461 -8.449 -2.424 1.00 0.00 O ATOM 228 CB ALA A 14 3.404 -5.175 -2.373 1.00 0.00 C ATOM 0 H ALA A 14 4.063 -4.936 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 14 2.172 -6.570 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.089 -5.516 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.797 -4.321 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.453 -4.880 -2.409 1.00 0.00 H new ATOM 234 N VAL A 15 5.292 -7.584 -1.447 1.00 0.00 N ATOM 235 CA VAL A 15 6.118 -8.751 -1.732 1.00 0.00 C ATOM 236 C VAL A 15 5.646 -9.936 -0.890 1.00 0.00 C ATOM 237 O VAL A 15 5.671 -11.082 -1.339 1.00 0.00 O ATOM 238 CB VAL A 15 7.618 -8.479 -1.466 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.464 -9.704 -1.795 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.084 -7.272 -2.261 1.00 0.00 C ATOM 0 H VAL A 15 5.779 -6.826 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 15 6.010 -8.983 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 15 7.743 -8.264 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.514 -9.485 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.147 -10.543 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.338 -9.962 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.141 -7.093 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.940 -7.459 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.506 -6.396 -1.965 1.00 0.00 H new ATOM 250 N ALA A 16 5.190 -9.648 0.328 1.00 0.00 N ATOM 251 CA ALA A 16 4.621 -10.676 1.196 1.00 0.00 C ATOM 252 C ALA A 16 3.307 -11.197 0.615 1.00 0.00 C ATOM 253 O ALA A 16 3.021 -12.392 0.681 1.00 0.00 O ATOM 254 CB ALA A 16 4.402 -10.143 2.608 1.00 0.00 C ATOM 0 H ALA A 16 5.204 -8.713 0.735 1.00 0.00 H new ATOM 0 HA ALA A 16 5.332 -11.501 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.978 -10.930 3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.355 -9.822 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.716 -9.296 2.575 1.00 0.00 H new ATOM 260 N LEU A 17 2.517 -10.290 0.043 1.00 0.00 N ATOM 261 CA LEU A 17 1.284 -10.653 -0.655 1.00 0.00 C ATOM 262 C LEU A 17 1.567 -11.642 -1.783 1.00 0.00 C ATOM 263 O LEU A 17 0.777 -12.545 -2.040 1.00 0.00 O ATOM 264 CB LEU A 17 0.608 -9.396 -1.220 1.00 0.00 C ATOM 265 CG LEU A 17 -0.057 -8.485 -0.183 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.482 -7.174 -0.822 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.263 -9.178 0.436 1.00 0.00 C ATOM 0 H LEU A 17 2.711 -9.289 0.050 1.00 0.00 H new ATOM 0 HA LEU A 17 0.615 -11.130 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.354 -8.816 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.146 -9.704 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 17 0.668 -8.273 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.953 -6.539 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.393 -6.667 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.192 -7.374 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.724 -8.518 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.986 -9.415 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.943 -10.098 0.925 1.00 0.00 H new ATOM 279 N TYR A 18 2.706 -11.466 -2.443 1.00 0.00 N ATOM 280 CA TYR A 18 3.123 -12.364 -3.517 1.00 0.00 C ATOM 281 C TYR A 18 3.366 -13.778 -2.988 1.00 0.00 C ATOM 282 O TYR A 18 2.983 -14.765 -3.620 1.00 0.00 O ATOM 283 CB TYR A 18 4.385 -11.823 -4.190 1.00 0.00 C ATOM 284 CG TYR A 18 5.003 -12.771 -5.196 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.385 -13.024 -6.416 1.00 0.00 C ATOM 286 CD2 TYR A 18 6.208 -13.411 -4.928 1.00 0.00 C ATOM 287 CE1 TYR A 18 4.949 -13.888 -7.336 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.779 -14.275 -5.843 1.00 0.00 C ATOM 289 CZ TYR A 18 6.146 -14.509 -7.047 1.00 0.00 C ATOM 290 OH TYR A 18 6.710 -15.364 -7.968 1.00 0.00 O ATOM 0 H TYR A 18 3.360 -10.707 -2.253 1.00 0.00 H new ATOM 0 HA TYR A 18 2.321 -12.414 -4.253 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.143 -10.885 -4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.123 -11.593 -3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.449 -12.538 -6.648 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.707 -13.230 -3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.454 -14.076 -8.277 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.715 -14.764 -5.617 1.00 0.00 H new ATOM 0 HH TYR A 18 7.552 -15.718 -7.613 1.00 0.00 H new ATOM 300 N GLU A 19 3.999 -13.876 -1.828 1.00 0.00 N ATOM 301 CA GLU A 19 4.256 -15.172 -1.208 1.00 0.00 C ATOM 302 C GLU A 19 2.966 -15.762 -0.640 1.00 0.00 C ATOM 303 O GLU A 19 2.853 -16.973 -0.453 1.00 0.00 O ATOM 304 CB GLU A 19 5.313 -15.043 -0.107 1.00 0.00 C ATOM 305 CG GLU A 19 6.700 -14.704 -0.633 1.00 0.00 C ATOM 306 CD GLU A 19 7.228 -15.748 -1.599 1.00 0.00 C ATOM 307 OE1 GLU A 19 6.989 -16.950 -1.372 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.878 -15.372 -2.597 1.00 0.00 O ATOM 0 H GLU A 19 4.344 -13.077 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 19 4.636 -15.847 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.001 -14.271 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.363 -15.979 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.669 -13.735 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.390 -14.609 0.206 1.00 0.00 H new ATOM 315 N ASN A 20 1.994 -14.893 -0.385 1.00 0.00 N ATOM 316 CA ASN A 20 0.688 -15.311 0.120 1.00 0.00 C ATOM 317 C ASN A 20 -0.330 -15.373 -1.015 1.00 0.00 C ATOM 318 O ASN A 20 -1.539 -15.265 -0.790 1.00 0.00 O ATOM 319 CB ASN A 20 0.198 -14.350 1.208 1.00 0.00 C ATOM 320 CG ASN A 20 0.893 -14.566 2.539 1.00 0.00 C ATOM 321 OD1 ASN A 20 0.439 -15.350 3.370 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.997 -13.868 2.754 1.00 0.00 N ATOM 0 H ASN A 20 2.086 -13.886 -0.521 1.00 0.00 H new ATOM 0 HA ASN A 20 0.794 -16.306 0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.362 -13.323 0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.877 -14.475 1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.502 -13.971 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.342 -13.227 2.040 1.00 0.00 H new ATOM 329 N SER A 21 0.168 -15.585 -2.231 1.00 0.00 N ATOM 330 CA SER A 21 -0.672 -15.656 -3.422 1.00 0.00 C ATOM 331 C SER A 21 -1.637 -16.836 -3.361 1.00 0.00 C ATOM 332 O SER A 21 -2.572 -16.934 -4.157 1.00 0.00 O ATOM 333 CB SER A 21 0.197 -15.753 -4.671 1.00 0.00 C ATOM 334 OG SER A 21 1.210 -16.734 -4.516 1.00 0.00 O ATOM 0 H SER A 21 1.163 -15.712 -2.417 1.00 0.00 H new ATOM 0 HA SER A 21 -1.266 -14.743 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.425 -16.001 -5.531 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.653 -14.785 -4.876 1.00 0.00 H new ATOM 0 HG SER A 21 2.034 -16.307 -4.201 1.00 0.00 H new ATOM 340 N ASP A 22 -1.384 -17.739 -2.426 1.00 0.00 N ATOM 341 CA ASP A 22 -2.292 -18.849 -2.152 1.00 0.00 C ATOM 342 C ASP A 22 -3.703 -18.332 -1.871 1.00 0.00 C ATOM 343 O ASP A 22 -4.698 -18.992 -2.176 1.00 0.00 O ATOM 344 CB ASP A 22 -1.777 -19.669 -0.963 1.00 0.00 C ATOM 345 CG ASP A 22 -2.713 -20.793 -0.577 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.799 -21.787 -1.327 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.375 -20.687 0.475 1.00 0.00 O ATOM 0 H ASP A 22 -0.551 -17.726 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.332 -19.492 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.800 -20.084 -1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.636 -19.010 -0.107 1.00 0.00 H new ATOM 352 N GLY A 23 -3.777 -17.132 -1.310 1.00 0.00 N ATOM 353 CA GLY A 23 -5.059 -16.515 -1.036 1.00 0.00 C ATOM 354 C GLY A 23 -5.593 -15.724 -2.220 1.00 0.00 C ATOM 355 O GLY A 23 -6.806 -15.656 -2.433 1.00 0.00 O ATOM 0 H GLY A 23 -2.968 -16.573 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.779 -17.287 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.963 -15.853 -0.175 1.00 0.00 H new ATOM 359 N ALA A 24 -4.691 -15.146 -3.009 1.00 0.00 N ATOM 360 CA ALA A 24 -5.074 -14.310 -4.138 1.00 0.00 C ATOM 361 C ALA A 24 -3.980 -14.324 -5.195 1.00 0.00 C ATOM 362 O ALA A 24 -2.809 -14.116 -4.888 1.00 0.00 O ATOM 363 CB ALA A 24 -5.354 -12.887 -3.675 1.00 0.00 C ATOM 0 H ALA A 24 -3.683 -15.244 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.987 -14.712 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.639 -12.275 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.166 -12.894 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.458 -12.471 -3.214 1.00 0.00 H new ATOM 369 N SER A 25 -4.373 -14.578 -6.434 1.00 0.00 N ATOM 370 CA SER A 25 -3.430 -14.684 -7.541 1.00 0.00 C ATOM 371 C SER A 25 -2.692 -13.362 -7.779 1.00 0.00 C ATOM 372 O SER A 25 -3.157 -12.300 -7.362 1.00 0.00 O ATOM 373 CB SER A 25 -4.177 -15.119 -8.804 1.00 0.00 C ATOM 374 OG SER A 25 -4.949 -16.285 -8.552 1.00 0.00 O ATOM 0 H SER A 25 -5.348 -14.716 -6.701 1.00 0.00 H new ATOM 0 HA SER A 25 -2.679 -15.432 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.827 -14.313 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.464 -15.314 -9.605 1.00 0.00 H new ATOM 0 HG SER A 25 -5.421 -16.548 -9.370 1.00 0.00 H new ATOM 380 N LEU A 26 -1.552 -13.448 -8.466 1.00 0.00 N ATOM 381 CA LEU A 26 -0.671 -12.300 -8.687 1.00 0.00 C ATOM 382 C LEU A 26 -1.434 -11.141 -9.324 1.00 0.00 C ATOM 383 O LEU A 26 -1.374 -10.010 -8.840 1.00 0.00 O ATOM 384 CB LEU A 26 0.521 -12.722 -9.565 1.00 0.00 C ATOM 385 CG LEU A 26 1.726 -11.766 -9.595 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.950 -12.491 -10.128 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.443 -10.543 -10.458 1.00 0.00 C ATOM 0 H LEU A 26 -1.214 -14.314 -8.885 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.294 -11.955 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.868 -13.697 -9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.163 -12.851 -10.586 1.00 0.00 H new ATOM 0 HG LEU A 26 1.912 -11.430 -8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.799 -11.807 -10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.181 -13.339 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.750 -12.848 -11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.314 -9.888 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.227 -10.860 -11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.585 -10.005 -10.056 1.00 0.00 H new ATOM 399 N GLN A 27 -2.158 -11.425 -10.403 1.00 0.00 N ATOM 400 CA GLN A 27 -2.938 -10.399 -11.086 1.00 0.00 C ATOM 401 C GLN A 27 -4.001 -9.819 -10.157 1.00 0.00 C ATOM 402 O GLN A 27 -4.281 -8.623 -10.194 1.00 0.00 O ATOM 403 CB GLN A 27 -3.599 -10.970 -12.345 1.00 0.00 C ATOM 404 CG GLN A 27 -4.422 -9.951 -13.121 1.00 0.00 C ATOM 405 CD GLN A 27 -3.593 -8.794 -13.649 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.417 -8.948 -13.971 1.00 0.00 O ATOM 407 NE2 GLN A 27 -4.200 -7.622 -13.722 1.00 0.00 N ATOM 0 H GLN A 27 -2.220 -12.353 -10.821 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.257 -9.600 -11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.826 -11.373 -12.999 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.242 -11.803 -12.061 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.913 -10.450 -13.957 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.209 -9.561 -12.476 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.178 -7.536 -13.445 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.690 -6.804 -14.055 1.00 0.00 H new ATOM 416 N GLN A 28 -4.569 -10.668 -9.309 1.00 0.00 N ATOM 417 CA GLN A 28 -5.617 -10.245 -8.388 1.00 0.00 C ATOM 418 C GLN A 28 -5.052 -9.278 -7.355 1.00 0.00 C ATOM 419 O GLN A 28 -5.716 -8.323 -6.961 1.00 0.00 O ATOM 420 CB GLN A 28 -6.245 -11.452 -7.693 1.00 0.00 C ATOM 421 CG GLN A 28 -7.551 -11.129 -6.983 1.00 0.00 C ATOM 422 CD GLN A 28 -8.617 -10.612 -7.937 1.00 0.00 C ATOM 423 OE1 GLN A 28 -8.639 -10.969 -9.114 1.00 0.00 O ATOM 424 NE2 GLN A 28 -9.497 -9.757 -7.441 1.00 0.00 N ATOM 0 H GLN A 28 -4.321 -11.655 -9.240 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.392 -9.736 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.425 -12.234 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.536 -11.854 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.919 -12.024 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.366 -10.383 -6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.446 -9.485 -6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.226 -9.370 -8.040 1.00 0.00 H new ATOM 433 N ILE A 29 -3.818 -9.535 -6.930 1.00 0.00 N ATOM 434 CA ILE A 29 -3.118 -8.636 -6.019 1.00 0.00 C ATOM 435 C ILE A 29 -2.965 -7.262 -6.662 1.00 0.00 C ATOM 436 O ILE A 29 -3.270 -6.237 -6.049 1.00 0.00 O ATOM 437 CB ILE A 29 -1.718 -9.180 -5.644 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.836 -10.530 -4.928 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.956 -8.183 -4.775 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.573 -10.460 -3.606 1.00 0.00 C ATOM 0 H ILE A 29 -3.282 -10.359 -7.202 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.712 -8.561 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.157 -9.324 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.350 -11.234 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.836 -10.927 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.024 -8.591 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.832 -7.247 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.515 -7.998 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.616 -11.454 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.049 -9.782 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.586 -10.094 -3.773 1.00 0.00 H new ATOM 452 N ALA A 30 -2.515 -7.258 -7.914 1.00 0.00 N ATOM 453 CA ALA A 30 -2.349 -6.022 -8.671 1.00 0.00 C ATOM 454 C ALA A 30 -3.686 -5.307 -8.838 1.00 0.00 C ATOM 455 O ALA A 30 -3.763 -4.083 -8.729 1.00 0.00 O ATOM 456 CB ALA A 30 -1.724 -6.308 -10.031 1.00 0.00 C ATOM 0 H ALA A 30 -2.258 -8.101 -8.427 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.679 -5.368 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.608 -5.374 -10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.747 -6.772 -9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.369 -6.983 -10.593 1.00 0.00 H new ATOM 462 N ASN A 31 -4.737 -6.084 -9.086 1.00 0.00 N ATOM 463 CA ASN A 31 -6.077 -5.548 -9.257 1.00 0.00 C ATOM 464 C ASN A 31 -6.568 -4.862 -7.986 1.00 0.00 C ATOM 465 O ASN A 31 -7.174 -3.791 -8.047 1.00 0.00 O ATOM 466 CB ASN A 31 -7.051 -6.666 -9.643 1.00 0.00 C ATOM 467 CG ASN A 31 -6.898 -7.144 -11.078 1.00 0.00 C ATOM 468 OD1 ASN A 31 -6.487 -6.394 -11.965 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.242 -8.403 -11.317 1.00 0.00 N ATOM 0 H ASN A 31 -4.680 -7.099 -9.173 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.036 -4.807 -10.055 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.904 -7.511 -8.971 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.072 -6.314 -9.494 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.170 -8.781 -12.262 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.578 -8.993 -10.556 1.00 0.00 H new ATOM 476 N ASP A 32 -6.301 -5.480 -6.841 1.00 0.00 N ATOM 477 CA ASP A 32 -6.759 -4.956 -5.557 1.00 0.00 C ATOM 478 C ASP A 32 -5.959 -3.724 -5.156 1.00 0.00 C ATOM 479 O ASP A 32 -6.516 -2.728 -4.698 1.00 0.00 O ATOM 480 CB ASP A 32 -6.641 -6.024 -4.465 1.00 0.00 C ATOM 481 CG ASP A 32 -7.276 -5.583 -3.158 1.00 0.00 C ATOM 482 OD1 ASP A 32 -6.589 -4.948 -2.339 1.00 0.00 O ATOM 483 OD2 ASP A 32 -8.476 -5.876 -2.943 1.00 0.00 O ATOM 0 H ASP A 32 -5.768 -6.347 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.806 -4.674 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.117 -6.943 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.589 -6.253 -4.296 1.00 0.00 H new ATOM 488 N LEU A 33 -4.645 -3.795 -5.339 1.00 0.00 N ATOM 489 CA LEU A 33 -3.762 -2.693 -4.977 1.00 0.00 C ATOM 490 C LEU A 33 -3.933 -1.515 -5.931 1.00 0.00 C ATOM 491 O LEU A 33 -3.797 -0.357 -5.534 1.00 0.00 O ATOM 492 CB LEU A 33 -2.302 -3.157 -4.960 1.00 0.00 C ATOM 493 CG LEU A 33 -1.810 -3.754 -3.635 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.647 -4.954 -3.221 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.341 -4.139 -3.741 1.00 0.00 C ATOM 0 H LEU A 33 -4.168 -4.604 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.035 -2.360 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.167 -3.901 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.667 -2.308 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.920 -2.992 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.271 -5.352 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.686 -4.648 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.585 -5.724 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.006 -4.561 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.215 -4.878 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.251 -3.254 -3.973 1.00 0.00 H new ATOM 507 N GLY A 34 -4.249 -1.816 -7.182 1.00 0.00 N ATOM 508 CA GLY A 34 -4.455 -0.773 -8.169 1.00 0.00 C ATOM 509 C GLY A 34 -3.182 -0.434 -8.916 1.00 0.00 C ATOM 510 O GLY A 34 -2.967 0.715 -9.312 1.00 0.00 O ATOM 0 H GLY A 34 -4.367 -2.766 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.217 -1.093 -8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.834 0.122 -7.676 1.00 0.00 H new ATOM 514 N ILE A 35 -2.339 -1.438 -9.103 1.00 0.00 N ATOM 515 CA ILE A 35 -1.062 -1.257 -9.770 1.00 0.00 C ATOM 516 C ILE A 35 -0.901 -2.268 -10.898 1.00 0.00 C ATOM 517 O ILE A 35 -1.735 -3.155 -11.071 1.00 0.00 O ATOM 518 CB ILE A 35 0.119 -1.411 -8.788 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.058 -2.769 -8.076 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.132 -0.268 -7.780 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.248 -3.043 -7.184 1.00 0.00 C ATOM 0 H ILE A 35 -2.520 -2.394 -8.798 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.052 -0.245 -10.175 1.00 0.00 H new ATOM 0 HB ILE A 35 1.047 -1.370 -9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.852 -2.814 -7.477 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.013 -3.558 -8.824 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.972 -0.395 -7.097 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.233 0.681 -8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.800 -0.271 -7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.134 -4.020 -6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.160 -3.031 -7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.309 -2.275 -6.412 1.00 0.00 H new ATOM 533 N ASN A 36 0.163 -2.124 -11.670 1.00 0.00 N ATOM 534 CA ASN A 36 0.470 -3.063 -12.724 1.00 0.00 C ATOM 535 C ASN A 36 1.192 -4.274 -12.150 1.00 0.00 C ATOM 536 O ASN A 36 1.955 -4.150 -11.192 1.00 0.00 O ATOM 537 CB ASN A 36 1.337 -2.383 -13.777 1.00 0.00 C ATOM 538 CG ASN A 36 1.504 -3.220 -15.017 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.436 -4.015 -15.126 1.00 0.00 O ATOM 540 ND2 ASN A 36 0.592 -3.055 -15.951 1.00 0.00 N ATOM 0 H ASN A 36 0.831 -1.358 -11.581 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.457 -3.399 -13.188 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.891 -1.426 -14.047 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.318 -2.169 -13.352 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.640 -3.600 -16.812 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.163 -2.383 -15.814 1.00 0.00 H new ATOM 547 N ARG A 37 0.958 -5.438 -12.742 1.00 0.00 N ATOM 548 CA ARG A 37 1.563 -6.670 -12.276 1.00 0.00 C ATOM 549 C ARG A 37 3.077 -6.638 -12.447 1.00 0.00 C ATOM 550 O ARG A 37 3.814 -7.251 -11.675 1.00 0.00 O ATOM 551 CB ARG A 37 0.963 -7.864 -13.017 1.00 0.00 C ATOM 552 CG ARG A 37 1.098 -7.805 -14.531 1.00 0.00 C ATOM 553 CD ARG A 37 0.562 -9.071 -15.180 1.00 0.00 C ATOM 554 NE ARG A 37 0.488 -8.950 -16.635 1.00 0.00 N ATOM 555 CZ ARG A 37 0.530 -9.985 -17.475 1.00 0.00 C ATOM 556 NH1 ARG A 37 0.675 -11.219 -17.008 1.00 0.00 N ATOM 557 NH2 ARG A 37 0.413 -9.784 -18.783 1.00 0.00 N ATOM 0 H ARG A 37 0.348 -5.550 -13.552 1.00 0.00 H new ATOM 0 HA ARG A 37 1.351 -6.774 -11.212 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.442 -8.775 -12.658 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.094 -7.938 -12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.557 -6.940 -14.914 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.146 -7.670 -14.800 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.203 -9.912 -14.918 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.429 -9.290 -14.783 1.00 0.00 H new ATOM 0 HE ARG A 37 0.399 -8.015 -17.033 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.755 -11.378 -16.004 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.707 -12.008 -17.653 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.291 -8.838 -19.145 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.445 -10.576 -19.426 1.00 0.00 H new ATOM 571 N VAL A 38 3.538 -5.914 -13.455 1.00 0.00 N ATOM 572 CA VAL A 38 4.968 -5.751 -13.681 1.00 0.00 C ATOM 573 C VAL A 38 5.559 -4.792 -12.651 1.00 0.00 C ATOM 574 O VAL A 38 6.688 -4.971 -12.200 1.00 0.00 O ATOM 575 CB VAL A 38 5.269 -5.240 -15.109 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.766 -5.119 -15.347 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.634 -6.154 -16.146 1.00 0.00 C ATOM 0 H VAL A 38 2.945 -5.430 -14.129 1.00 0.00 H new ATOM 0 HA VAL A 38 5.431 -6.732 -13.573 1.00 0.00 H new ATOM 0 HB VAL A 38 4.834 -4.245 -15.209 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.945 -4.758 -16.360 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.193 -4.417 -14.630 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.234 -6.095 -15.222 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.856 -5.780 -17.145 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.036 -7.161 -16.038 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.554 -6.177 -15.998 1.00 0.00 H new ATOM 587 N THR A 39 4.783 -3.785 -12.267 1.00 0.00 N ATOM 588 CA THR A 39 5.200 -2.864 -11.218 1.00 0.00 C ATOM 589 C THR A 39 5.363 -3.615 -9.896 1.00 0.00 C ATOM 590 O THR A 39 6.313 -3.382 -9.146 1.00 0.00 O ATOM 591 CB THR A 39 4.176 -1.724 -11.048 1.00 0.00 C ATOM 592 OG1 THR A 39 3.908 -1.122 -12.322 1.00 0.00 O ATOM 593 CG2 THR A 39 4.686 -0.663 -10.080 1.00 0.00 C ATOM 0 H THR A 39 3.865 -3.586 -12.665 1.00 0.00 H new ATOM 0 HA THR A 39 6.157 -2.429 -11.507 1.00 0.00 H new ATOM 0 HB THR A 39 3.260 -2.149 -10.638 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.256 -0.399 -12.211 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.942 0.127 -9.981 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.866 -1.116 -9.105 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.616 -0.240 -10.460 1.00 0.00 H new ATOM 601 N LEU A 40 4.435 -4.529 -9.628 1.00 0.00 N ATOM 602 CA LEU A 40 4.522 -5.395 -8.459 1.00 0.00 C ATOM 603 C LEU A 40 5.757 -6.283 -8.563 1.00 0.00 C ATOM 604 O LEU A 40 6.503 -6.448 -7.598 1.00 0.00 O ATOM 605 CB LEU A 40 3.260 -6.257 -8.344 1.00 0.00 C ATOM 606 CG LEU A 40 3.219 -7.199 -7.138 1.00 0.00 C ATOM 607 CD1 LEU A 40 3.211 -6.407 -5.840 1.00 0.00 C ATOM 608 CD2 LEU A 40 2.004 -8.112 -7.214 1.00 0.00 C ATOM 0 H LEU A 40 3.611 -4.689 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 40 4.604 -4.776 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.393 -5.598 -8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.162 -6.852 -9.252 1.00 0.00 H new ATOM 0 HG LEU A 40 4.116 -7.818 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.182 -7.094 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.112 -5.797 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.333 -5.761 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.992 -8.774 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.096 -7.509 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.053 -8.707 -8.126 1.00 0.00 H new ATOM 620 N LYS A 41 5.969 -6.828 -9.757 1.00 0.00 N ATOM 621 CA LYS A 41 7.126 -7.675 -10.043 1.00 0.00 C ATOM 622 C LYS A 41 8.421 -6.943 -9.700 1.00 0.00 C ATOM 623 O LYS A 41 9.332 -7.516 -9.099 1.00 0.00 O ATOM 624 CB LYS A 41 7.125 -8.055 -11.526 1.00 0.00 C ATOM 625 CG LYS A 41 8.089 -9.171 -11.890 1.00 0.00 C ATOM 626 CD LYS A 41 8.185 -9.340 -13.399 1.00 0.00 C ATOM 627 CE LYS A 41 9.068 -10.519 -13.776 1.00 0.00 C ATOM 628 NZ LYS A 41 8.417 -11.827 -13.493 1.00 0.00 N ATOM 0 H LYS A 41 5.346 -6.696 -10.554 1.00 0.00 H new ATOM 0 HA LYS A 41 7.063 -8.576 -9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.117 -8.356 -11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.372 -7.172 -12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.076 -8.951 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.757 -10.105 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.187 -9.485 -13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.585 -8.429 -13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.315 -10.461 -14.836 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.007 -10.457 -13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.012 -12.597 -13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.297 -11.940 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.486 -11.859 -13.956 1.00 0.00 H new ATOM 642 N ASN A 42 8.482 -5.673 -10.086 1.00 0.00 N ATOM 643 CA ASN A 42 9.636 -4.821 -9.802 1.00 0.00 C ATOM 644 C ASN A 42 9.956 -4.787 -8.310 1.00 0.00 C ATOM 645 O ASN A 42 11.104 -5.001 -7.917 1.00 0.00 O ATOM 646 CB ASN A 42 9.399 -3.396 -10.314 1.00 0.00 C ATOM 647 CG ASN A 42 9.788 -3.219 -11.770 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.722 -4.152 -12.570 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.207 -2.012 -12.116 1.00 0.00 N ATOM 0 H ASN A 42 7.737 -5.205 -10.602 1.00 0.00 H new ATOM 0 HA ASN A 42 10.490 -5.251 -10.325 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.346 -3.142 -10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.969 -2.696 -9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.491 -1.827 -13.078 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.246 -1.267 -11.421 1.00 0.00 H new ATOM 656 N TRP A 43 8.942 -4.529 -7.488 1.00 0.00 N ATOM 657 CA TRP A 43 9.119 -4.496 -6.036 1.00 0.00 C ATOM 658 C TRP A 43 9.572 -5.853 -5.507 1.00 0.00 C ATOM 659 O TRP A 43 10.448 -5.933 -4.645 1.00 0.00 O ATOM 660 CB TRP A 43 7.822 -4.068 -5.333 1.00 0.00 C ATOM 661 CG TRP A 43 7.617 -2.582 -5.293 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.527 -1.619 -5.618 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.428 -1.888 -4.888 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.986 -0.373 -5.428 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.698 -0.511 -4.995 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.163 -2.290 -4.450 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.756 0.459 -4.678 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.228 -1.324 -4.138 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.527 0.037 -4.256 1.00 0.00 C ATOM 0 H TRP A 43 7.990 -4.340 -7.801 1.00 0.00 H new ATOM 0 HA TRP A 43 9.894 -3.761 -5.818 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.975 -4.529 -5.841 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.829 -4.452 -4.313 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.529 -1.810 -5.974 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.467 0.513 -5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.921 -3.339 -4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.987 1.511 -4.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.248 -1.624 -3.797 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.772 0.769 -4.009 1.00 0.00 H new ATOM 680 N ILE A 44 8.979 -6.913 -6.044 1.00 0.00 N ATOM 681 CA ILE A 44 9.298 -8.277 -5.625 1.00 0.00 C ATOM 682 C ILE A 44 10.767 -8.603 -5.871 1.00 0.00 C ATOM 683 O ILE A 44 11.463 -9.083 -4.979 1.00 0.00 O ATOM 684 CB ILE A 44 8.417 -9.312 -6.365 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.938 -9.039 -6.090 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.783 -10.731 -5.942 1.00 0.00 C ATOM 687 CD1 ILE A 44 6.004 -9.866 -6.943 1.00 0.00 C ATOM 0 H ILE A 44 8.270 -6.855 -6.775 1.00 0.00 H new ATOM 0 HA ILE A 44 9.095 -8.335 -4.556 1.00 0.00 H new ATOM 0 HB ILE A 44 8.598 -9.217 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.729 -9.238 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.734 -7.982 -6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.152 -11.443 -6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.829 -10.924 -6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.630 -10.842 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.971 -9.621 -6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.185 -9.650 -7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.181 -10.925 -6.754 1.00 0.00 H new ATOM 699 N ILE A 45 11.234 -8.334 -7.080 1.00 0.00 N ATOM 700 CA ILE A 45 12.605 -8.651 -7.457 1.00 0.00 C ATOM 701 C ILE A 45 13.606 -7.736 -6.747 1.00 0.00 C ATOM 702 O ILE A 45 14.677 -8.170 -6.326 1.00 0.00 O ATOM 703 CB ILE A 45 12.800 -8.533 -8.985 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.805 -9.438 -9.719 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.230 -8.891 -9.375 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.855 -9.300 -11.225 1.00 0.00 C ATOM 0 H ILE A 45 10.684 -7.896 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 45 12.791 -9.680 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 45 12.614 -7.499 -9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.005 -10.475 -9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.796 -9.209 -9.375 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.346 -8.801 -10.455 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.923 -8.212 -8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.444 -9.916 -9.071 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.124 -9.971 -11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.625 -8.272 -11.504 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.852 -9.558 -11.581 1.00 0.00 H new ATOM 718 N LYS A 46 13.243 -6.471 -6.604 1.00 0.00 N ATOM 719 CA LYS A 46 14.159 -5.470 -6.077 1.00 0.00 C ATOM 720 C LYS A 46 14.274 -5.553 -4.558 1.00 0.00 C ATOM 721 O LYS A 46 15.380 -5.596 -4.014 1.00 0.00 O ATOM 722 CB LYS A 46 13.700 -4.075 -6.501 1.00 0.00 C ATOM 723 CG LYS A 46 14.668 -2.964 -6.139 1.00 0.00 C ATOM 724 CD LYS A 46 14.274 -1.665 -6.819 1.00 0.00 C ATOM 725 CE LYS A 46 15.277 -0.559 -6.553 1.00 0.00 C ATOM 726 NZ LYS A 46 15.049 0.608 -7.444 1.00 0.00 N ATOM 0 H LYS A 46 12.319 -6.112 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 46 15.148 -5.668 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.544 -4.068 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.735 -3.866 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.681 -2.825 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.678 -3.244 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.191 -1.829 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.290 -1.355 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.205 -0.243 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.288 -0.939 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.752 1.346 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.142 0.311 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.093 0.985 -7.284 1.00 0.00 H new ATOM 740 N TYR A 47 13.139 -5.585 -3.876 1.00 0.00 N ATOM 741 CA TYR A 47 13.133 -5.565 -2.420 1.00 0.00 C ATOM 742 C TYR A 47 13.207 -6.972 -1.849 1.00 0.00 C ATOM 743 O TYR A 47 13.632 -7.166 -0.708 1.00 0.00 O ATOM 744 CB TYR A 47 11.904 -4.816 -1.908 1.00 0.00 C ATOM 745 CG TYR A 47 11.920 -3.361 -2.309 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.673 -2.436 -1.596 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.201 -2.915 -3.408 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.713 -1.110 -1.972 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.234 -1.588 -3.788 1.00 0.00 C ATOM 750 CZ TYR A 47 11.989 -0.690 -3.065 1.00 0.00 C ATOM 751 OH TYR A 47 12.026 0.631 -3.444 1.00 0.00 O ATOM 0 H TYR A 47 12.214 -5.625 -4.304 1.00 0.00 H new ATOM 0 HA TYR A 47 14.022 -5.034 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.003 -5.289 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.860 -4.892 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.236 -2.761 -0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.606 -3.616 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.309 -0.405 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.671 -1.255 -4.648 1.00 0.00 H new ATOM 0 HH TYR A 47 11.461 0.761 -4.234 1.00 0.00 H new ATOM 761 N GLY A 48 12.808 -7.955 -2.647 1.00 0.00 N ATOM 762 CA GLY A 48 13.018 -9.341 -2.275 1.00 0.00 C ATOM 763 C GLY A 48 14.448 -9.771 -2.547 1.00 0.00 C ATOM 764 O GLY A 48 14.696 -10.700 -3.318 1.00 0.00 O ATOM 0 H GLY A 48 12.343 -7.817 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.790 -9.475 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.331 -9.978 -2.833 1.00 0.00 H new ATOM 928 N ALA A 61 4.911 -8.361 12.704 1.00 0.00 N ATOM 929 CA ALA A 61 3.739 -9.175 12.390 1.00 0.00 C ATOM 930 C ALA A 61 3.320 -10.058 13.563 1.00 0.00 C ATOM 931 O ALA A 61 2.478 -10.933 13.407 1.00 0.00 O ATOM 932 CB ALA A 61 3.994 -10.029 11.155 1.00 0.00 C ATOM 0 HA ALA A 61 2.918 -8.488 12.187 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.109 -10.628 10.938 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.213 -9.383 10.305 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.843 -10.688 11.337 1.00 0.00 H new ATOM 938 N VAL A 62 3.894 -9.813 14.736 1.00 0.00 N ATOM 939 CA VAL A 62 3.570 -10.597 15.928 1.00 0.00 C ATOM 940 C VAL A 62 2.085 -10.482 16.272 1.00 0.00 C ATOM 941 O VAL A 62 1.400 -11.482 16.497 1.00 0.00 O ATOM 942 CB VAL A 62 4.419 -10.154 17.143 1.00 0.00 C ATOM 943 CG1 VAL A 62 4.067 -10.962 18.381 1.00 0.00 C ATOM 944 CG2 VAL A 62 5.903 -10.284 16.835 1.00 0.00 C ATOM 0 H VAL A 62 4.586 -9.079 14.889 1.00 0.00 H new ATOM 0 HA VAL A 62 3.803 -11.637 15.701 1.00 0.00 H new ATOM 0 HB VAL A 62 4.193 -9.107 17.344 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.679 -10.629 19.219 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.014 -10.819 18.622 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.255 -12.019 18.191 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.484 -9.968 17.702 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.136 -11.323 16.601 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.154 -9.655 15.981 1.00 0.00 H new ATOM 954 N SER A 63 1.600 -9.258 16.295 1.00 0.00 N ATOM 955 CA SER A 63 0.198 -8.997 16.580 1.00 0.00 C ATOM 956 C SER A 63 -0.653 -9.129 15.317 1.00 0.00 C ATOM 957 O SER A 63 -1.828 -9.491 15.378 1.00 0.00 O ATOM 958 CB SER A 63 0.045 -7.600 17.178 1.00 0.00 C ATOM 959 OG SER A 63 0.779 -7.486 18.386 1.00 0.00 O ATOM 0 H SER A 63 2.157 -8.422 16.119 1.00 0.00 H new ATOM 0 HA SER A 63 -0.152 -9.737 17.299 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.393 -6.854 16.464 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.009 -7.394 17.367 1.00 0.00 H new ATOM 0 HG SER A 63 0.669 -6.583 18.752 1.00 0.00 H new ATOM 965 N GLU A 64 -0.042 -8.857 14.172 1.00 0.00 N ATOM 966 CA GLU A 64 -0.743 -8.902 12.892 1.00 0.00 C ATOM 967 C GLU A 64 -1.082 -10.343 12.514 1.00 0.00 C ATOM 968 O GLU A 64 -2.011 -10.603 11.746 1.00 0.00 O ATOM 969 CB GLU A 64 0.126 -8.272 11.805 1.00 0.00 C ATOM 970 CG GLU A 64 -0.671 -7.614 10.699 1.00 0.00 C ATOM 971 CD GLU A 64 -1.320 -6.320 11.147 1.00 0.00 C ATOM 972 OE1 GLU A 64 -2.220 -6.362 12.015 1.00 0.00 O ATOM 973 OE2 GLU A 64 -0.927 -5.248 10.645 1.00 0.00 O ATOM 0 H GLU A 64 0.943 -8.601 14.102 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.672 -8.340 12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.782 -7.530 12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.766 -9.041 11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.015 -7.414 9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.441 -8.302 10.351 1.00 0.00 H new ATOM 980 N ALA A 65 -0.328 -11.270 13.087 1.00 0.00 N ATOM 981 CA ALA A 65 -0.485 -12.696 12.830 1.00 0.00 C ATOM 982 C ALA A 65 -1.890 -13.195 13.154 1.00 0.00 C ATOM 983 O ALA A 65 -2.315 -14.219 12.632 1.00 0.00 O ATOM 984 CB ALA A 65 0.544 -13.490 13.620 1.00 0.00 C ATOM 0 H ALA A 65 0.417 -11.053 13.749 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.324 -12.848 11.763 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.416 -14.554 13.419 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.547 -13.183 13.323 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.408 -13.303 14.685 1.00 0.00 H new ATOM 990 N GLU A 66 -2.605 -12.484 14.021 1.00 0.00 N ATOM 991 CA GLU A 66 -3.921 -12.933 14.455 1.00 0.00 C ATOM 992 C GLU A 66 -4.896 -13.013 13.279 1.00 0.00 C ATOM 993 O GLU A 66 -5.551 -14.037 13.076 1.00 0.00 O ATOM 994 CB GLU A 66 -4.485 -12.017 15.535 1.00 0.00 C ATOM 995 CG GLU A 66 -5.534 -12.711 16.386 1.00 0.00 C ATOM 996 CD GLU A 66 -6.019 -11.876 17.545 1.00 0.00 C ATOM 997 OE1 GLU A 66 -6.845 -10.971 17.323 1.00 0.00 O ATOM 998 OE2 GLU A 66 -5.589 -12.131 18.687 1.00 0.00 O ATOM 0 H GLU A 66 -2.298 -11.603 14.433 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.800 -13.932 14.873 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.673 -11.669 16.174 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.924 -11.135 15.068 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.385 -12.974 15.757 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.120 -13.644 16.769 1.00 0.00 H new ATOM 1005 N GLN A 67 -4.986 -11.944 12.499 1.00 0.00 N ATOM 1006 CA GLN A 67 -5.858 -11.939 11.331 1.00 0.00 C ATOM 1007 C GLN A 67 -5.277 -12.833 10.244 1.00 0.00 C ATOM 1008 O GLN A 67 -6.004 -13.347 9.398 1.00 0.00 O ATOM 1009 CB GLN A 67 -6.061 -10.519 10.806 1.00 0.00 C ATOM 1010 CG GLN A 67 -4.795 -9.873 10.280 1.00 0.00 C ATOM 1011 CD GLN A 67 -4.950 -8.384 10.091 1.00 0.00 C ATOM 1012 OE1 GLN A 67 -5.334 -7.912 9.020 1.00 0.00 O ATOM 1013 NE2 GLN A 67 -4.671 -7.635 11.140 1.00 0.00 N ATOM 0 H GLN A 67 -4.471 -11.077 12.651 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.832 -12.329 11.626 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.805 -10.539 10.010 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.467 -9.901 11.606 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.976 -10.066 10.973 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.523 -10.332 9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.356 -8.069 12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.770 -6.621 11.084 1.00 0.00 H new ATOM 1022 N ILE A 68 -3.961 -13.021 10.285 1.00 0.00 N ATOM 1023 CA ILE A 68 -3.281 -13.939 9.378 1.00 0.00 C ATOM 1024 C ILE A 68 -3.713 -15.375 9.673 1.00 0.00 C ATOM 1025 O ILE A 68 -3.941 -16.167 8.761 1.00 0.00 O ATOM 1026 CB ILE A 68 -1.743 -13.811 9.498 1.00 0.00 C ATOM 1027 CG1 ILE A 68 -1.292 -12.409 9.078 1.00 0.00 C ATOM 1028 CG2 ILE A 68 -1.034 -14.871 8.666 1.00 0.00 C ATOM 1029 CD1 ILE A 68 -1.662 -12.044 7.655 1.00 0.00 C ATOM 0 H ILE A 68 -3.341 -12.546 10.941 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.561 -13.679 8.357 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.472 -13.970 10.542 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.733 -11.678 9.756 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.210 -12.337 9.191 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.045 -14.755 8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.328 -15.862 9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.311 -14.756 7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.308 -11.037 7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.199 -12.751 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.745 -12.081 7.540 1.00 0.00 H new ATOM 1041 N ARG A 69 -3.843 -15.686 10.959 1.00 0.00 N ATOM 1042 CA ARG A 69 -4.355 -16.979 11.408 1.00 0.00 C ATOM 1043 C ARG A 69 -5.752 -17.227 10.843 1.00 0.00 C ATOM 1044 O ARG A 69 -6.077 -18.336 10.413 1.00 0.00 O ATOM 1045 CB ARG A 69 -4.387 -17.014 12.943 1.00 0.00 C ATOM 1046 CG ARG A 69 -5.075 -18.234 13.536 1.00 0.00 C ATOM 1047 CD ARG A 69 -5.170 -18.121 15.049 1.00 0.00 C ATOM 1048 NE ARG A 69 -5.934 -19.217 15.647 1.00 0.00 N ATOM 1049 CZ ARG A 69 -6.389 -19.213 16.901 1.00 0.00 C ATOM 1050 NH1 ARG A 69 -6.169 -18.175 17.699 1.00 0.00 N ATOM 1051 NH2 ARG A 69 -7.072 -20.251 17.358 1.00 0.00 N ATOM 0 H ARG A 69 -3.597 -15.051 11.719 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.696 -17.767 11.045 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.363 -16.974 13.315 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.892 -16.118 13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.074 -18.336 13.111 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.522 -19.134 13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.166 -18.109 15.473 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.638 -17.172 15.310 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.131 -20.034 15.069 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.647 -17.369 17.355 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.522 -18.184 18.656 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.249 -21.052 16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.421 -20.250 18.317 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.565 -16.180 10.832 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.913 -16.258 10.310 1.00 0.00 C ATOM 1067 C GLN A 70 -7.878 -16.386 8.786 1.00 0.00 C ATOM 1068 O GLN A 70 -8.618 -17.173 8.203 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.676 -15.003 10.728 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.946 -15.262 11.533 1.00 0.00 C ATOM 1071 CD GLN A 70 -11.065 -15.911 10.735 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.831 -16.677 9.806 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -12.300 -15.600 11.095 1.00 0.00 N ATOM 0 H GLN A 70 -6.306 -15.258 11.184 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.417 -17.137 10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.012 -14.371 11.318 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.939 -14.440 9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.701 -15.901 12.382 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.305 -14.316 11.939 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.458 -14.959 11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.093 -16.001 10.595 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.990 -15.619 8.156 1.00 0.00 N ATOM 1083 CA LEU A 71 -6.833 -15.638 6.703 1.00 0.00 C ATOM 1084 C LEU A 71 -6.414 -17.024 6.218 1.00 0.00 C ATOM 1085 O LEU A 71 -6.971 -17.552 5.258 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.796 -14.593 6.271 1.00 0.00 C ATOM 1087 CG LEU A 71 -5.553 -14.494 4.763 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -6.809 -14.020 4.046 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -4.388 -13.561 4.478 1.00 0.00 C ATOM 0 H LEU A 71 -6.363 -14.971 8.634 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.795 -15.394 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.116 -13.617 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.849 -14.822 6.760 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.303 -15.486 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.615 -13.956 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.619 -14.726 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.094 -13.037 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.226 -13.500 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.613 -12.568 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.488 -13.945 4.959 1.00 0.00 H new ATOM 1101 N LYS A 72 -5.430 -17.605 6.896 1.00 0.00 N ATOM 1102 CA LYS A 72 -4.937 -18.935 6.552 1.00 0.00 C ATOM 1103 C LYS A 72 -5.992 -20.004 6.821 1.00 0.00 C ATOM 1104 O LYS A 72 -6.066 -21.003 6.105 1.00 0.00 O ATOM 1105 CB LYS A 72 -3.670 -19.255 7.350 1.00 0.00 C ATOM 1106 CG LYS A 72 -3.258 -20.716 7.271 1.00 0.00 C ATOM 1107 CD LYS A 72 -2.104 -21.032 8.203 1.00 0.00 C ATOM 1108 CE LYS A 72 -1.928 -22.533 8.362 1.00 0.00 C ATOM 1109 NZ LYS A 72 -3.086 -23.151 9.066 1.00 0.00 N ATOM 0 H LYS A 72 -4.956 -17.174 7.690 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.707 -18.937 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.852 -18.635 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.830 -18.987 8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.110 -21.347 7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.974 -20.958 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.186 -20.594 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.284 -20.578 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.812 -22.992 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.013 -22.735 8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.794 -24.057 9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.416 -22.513 9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.857 -23.315 8.388 1.00 0.00 H new