USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 384 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 51 ASN : amide:sc= -1.59 K(o=-2.5,f=-9.6!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -0.906 F(o=-3,f=-2.5) USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -9.39! C(o=-15!,f=-13!) USER MOD Set 2.2: A 42 ASN : amide:sc= -3.14 X(o=-13,f=-13!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.72! C(o=-2.7!,f=-7.4!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.252 F(o=-2.7!,f=-0.25) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -64:sc= 1.3 USER MOD Single : A 33 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.1!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.12! C(o=-4.1!,f=-5.1!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -124:sc= 0.0344 USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.082 (180deg=-0.566) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= -2.34 (180deg=-3.33!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 8 -7.304 0.248 8.105 1.00 0.00 N ATOM 116 CA ILE A 8 -6.151 1.095 7.676 1.00 0.00 C ATOM 117 C ILE A 8 -6.058 2.333 8.574 1.00 0.00 C ATOM 118 O ILE A 8 -5.026 2.968 8.665 1.00 0.00 O ATOM 119 CB ILE A 8 -6.369 1.539 6.225 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.555 0.308 5.315 1.00 0.00 C ATOM 121 CG2 ILE A 8 -5.180 2.374 5.743 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.322 -0.605 5.325 1.00 0.00 C ATOM 0 HA ILE A 8 -5.228 0.521 7.755 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.270 2.151 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.427 -0.257 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.754 0.638 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.347 2.683 4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.076 3.257 6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.269 1.778 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.496 -1.459 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.454 -0.048 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.138 -0.957 6.340 1.00 0.00 H new ATOM 134 N MET A 9 -7.127 2.685 9.234 1.00 0.00 N ATOM 135 CA MET A 9 -7.097 3.886 10.119 1.00 0.00 C ATOM 136 C MET A 9 -6.013 3.706 11.185 1.00 0.00 C ATOM 137 O MET A 9 -5.720 4.605 11.949 1.00 0.00 O ATOM 138 CB MET A 9 -8.472 4.061 10.787 1.00 0.00 C ATOM 139 CG MET A 9 -8.676 3.005 11.887 1.00 0.00 C ATOM 140 SD MET A 9 -10.440 2.869 12.274 1.00 0.00 S ATOM 141 CE MET A 9 -10.540 4.281 13.402 1.00 0.00 C ATOM 0 H MET A 9 -8.020 2.194 9.199 1.00 0.00 H new ATOM 0 HA MET A 9 -6.871 4.774 9.529 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.550 5.060 11.215 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.260 3.972 10.039 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.290 2.041 11.556 1.00 0.00 H new ATOM 0 HG3 MET A 9 -8.117 3.283 12.781 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.562 4.383 13.767 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.868 4.122 14.245 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.251 5.190 12.874 1.00 0.00 H new ATOM 151 N GLU A 10 -5.423 2.546 11.243 1.00 0.00 N ATOM 152 CA GLU A 10 -4.365 2.291 12.257 1.00 0.00 C ATOM 153 C GLU A 10 -3.178 3.225 12.013 1.00 0.00 C ATOM 154 O GLU A 10 -2.258 3.296 12.803 1.00 0.00 O ATOM 155 CB GLU A 10 -3.907 0.836 12.139 1.00 0.00 C ATOM 156 CG GLU A 10 -3.343 0.582 10.735 1.00 0.00 C ATOM 157 CD GLU A 10 -3.069 -0.912 10.559 1.00 0.00 C ATOM 158 OE1 GLU A 10 -2.538 -1.509 11.481 1.00 0.00 O ATOM 159 OE2 GLU A 10 -3.396 -1.432 9.508 1.00 0.00 O ATOM 0 H GLU A 10 -5.630 1.759 10.628 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.761 2.475 13.256 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.147 0.622 12.891 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.744 0.165 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.050 0.924 9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.424 1.151 10.592 1.00 0.00 H new ATOM 166 N ASN A 11 -3.188 3.934 10.918 1.00 0.00 N ATOM 167 CA ASN A 11 -2.060 4.857 10.609 1.00 0.00 C ATOM 168 C ASN A 11 -2.534 5.892 9.576 1.00 0.00 C ATOM 169 O ASN A 11 -2.428 5.664 8.388 1.00 0.00 O ATOM 170 CB ASN A 11 -0.896 4.043 10.020 1.00 0.00 C ATOM 171 CG ASN A 11 -0.144 3.320 11.143 1.00 0.00 C ATOM 172 OD1 ASN A 11 -0.449 2.189 11.466 1.00 0.00 O ATOM 173 ND2 ASN A 11 0.833 3.931 11.755 1.00 0.00 N ATOM 0 H ASN A 11 -3.932 3.914 10.221 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.730 5.365 11.515 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.275 3.318 9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.216 4.702 9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.340 3.459 12.504 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.090 4.880 11.485 1.00 0.00 H new ATOM 180 N PRO A 12 -3.053 7.021 10.010 1.00 0.00 N ATOM 181 CA PRO A 12 -3.536 8.081 9.076 1.00 0.00 C ATOM 182 C PRO A 12 -2.534 8.337 7.944 1.00 0.00 C ATOM 183 O PRO A 12 -2.845 8.956 6.947 1.00 0.00 O ATOM 184 CB PRO A 12 -3.685 9.309 9.984 1.00 0.00 C ATOM 185 CG PRO A 12 -4.029 8.734 11.321 1.00 0.00 C ATOM 186 CD PRO A 12 -3.240 7.421 11.421 1.00 0.00 C ATOM 0 HA PRO A 12 -4.463 7.810 8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.763 9.889 10.025 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.467 9.978 9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.755 9.418 12.124 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.101 8.555 11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.285 7.564 11.927 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.789 6.665 11.983 1.00 0.00 H new ATOM 194 N ASP A 13 -1.336 7.848 8.097 1.00 0.00 N ATOM 195 CA ASP A 13 -0.302 8.036 7.043 1.00 0.00 C ATOM 196 C ASP A 13 -0.656 7.165 5.838 1.00 0.00 C ATOM 197 O ASP A 13 -0.550 7.581 4.701 1.00 0.00 O ATOM 198 CB ASP A 13 1.062 7.615 7.595 1.00 0.00 C ATOM 199 CG ASP A 13 2.152 7.948 6.575 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.156 7.335 5.520 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.964 8.811 6.865 1.00 0.00 O ATOM 0 H ASP A 13 -1.026 7.322 8.914 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.264 9.083 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.260 8.130 8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.065 6.546 7.810 1.00 0.00 H new ATOM 206 N VAL A 14 -1.086 5.956 6.083 1.00 0.00 N ATOM 207 CA VAL A 14 -1.461 5.046 4.964 1.00 0.00 C ATOM 208 C VAL A 14 -2.836 5.450 4.448 1.00 0.00 C ATOM 209 O VAL A 14 -3.097 5.438 3.262 1.00 0.00 O ATOM 210 CB VAL A 14 -1.500 3.607 5.486 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.961 2.659 4.377 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.101 3.201 5.954 1.00 0.00 C ATOM 0 H VAL A 14 -1.194 5.558 7.016 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.734 5.115 4.155 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.200 3.547 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.985 1.638 4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.958 2.946 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.268 2.717 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.125 2.177 6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.596 3.267 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.224 3.869 6.751 1.00 0.00 H new ATOM 222 N ALA A 15 -3.713 5.814 5.333 1.00 0.00 N ATOM 223 CA ALA A 15 -5.071 6.229 4.907 1.00 0.00 C ATOM 224 C ALA A 15 -4.956 7.443 3.982 1.00 0.00 C ATOM 225 O ALA A 15 -5.666 7.566 3.004 1.00 0.00 O ATOM 226 CB ALA A 15 -5.881 6.597 6.145 1.00 0.00 C ATOM 0 H ALA A 15 -3.547 5.842 6.339 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.566 5.417 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.883 6.904 5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.949 5.733 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.391 7.417 6.670 1.00 0.00 H new ATOM 232 N MET A 16 -4.050 8.335 4.281 1.00 0.00 N ATOM 233 CA MET A 16 -3.866 9.534 3.418 1.00 0.00 C ATOM 234 C MET A 16 -3.133 9.094 2.154 1.00 0.00 C ATOM 235 O MET A 16 -3.386 9.580 1.069 1.00 0.00 O ATOM 236 CB MET A 16 -3.027 10.578 4.173 1.00 0.00 C ATOM 237 CG MET A 16 -3.931 11.443 5.064 1.00 0.00 C ATOM 238 SD MET A 16 -5.020 10.385 6.051 1.00 0.00 S ATOM 239 CE MET A 16 -5.481 11.624 7.287 1.00 0.00 C ATOM 0 H MET A 16 -3.429 8.283 5.088 1.00 0.00 H new ATOM 0 HA MET A 16 -4.828 9.976 3.160 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.274 10.078 4.783 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.494 11.209 3.462 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.322 12.065 5.720 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.526 12.117 4.448 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.163 11.179 8.011 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.586 11.976 7.800 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.971 12.464 6.795 1.00 0.00 H new ATOM 249 N ALA A 17 -2.235 8.160 2.291 1.00 0.00 N ATOM 250 CA ALA A 17 -1.489 7.665 1.106 1.00 0.00 C ATOM 251 C ALA A 17 -2.463 6.883 0.231 1.00 0.00 C ATOM 252 O ALA A 17 -2.392 6.903 -0.979 1.00 0.00 O ATOM 253 CB ALA A 17 -0.351 6.752 1.566 1.00 0.00 C ATOM 0 H ALA A 17 -1.986 7.718 3.176 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.064 8.496 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.197 6.388 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.325 7.311 2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.763 5.906 2.116 1.00 0.00 H new ATOM 259 N PHE A 18 -3.389 6.207 0.850 1.00 0.00 N ATOM 260 CA PHE A 18 -4.398 5.431 0.080 1.00 0.00 C ATOM 261 C PHE A 18 -5.099 6.381 -0.902 1.00 0.00 C ATOM 262 O PHE A 18 -5.659 5.963 -1.896 1.00 0.00 O ATOM 263 CB PHE A 18 -5.424 4.846 1.075 1.00 0.00 C ATOM 264 CG PHE A 18 -5.118 3.390 1.394 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.794 2.969 1.584 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.167 2.465 1.514 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.523 1.629 1.886 1.00 0.00 C ATOM 268 CE2 PHE A 18 -5.893 1.128 1.818 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.571 0.709 2.004 1.00 0.00 C ATOM 0 H PHE A 18 -3.490 6.159 1.864 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.927 4.620 -0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.416 5.431 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.427 4.925 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.984 3.678 1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.188 2.787 1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.503 1.305 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.702 0.418 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.359 -0.324 2.238 1.00 0.00 H new ATOM 279 N GLN A 19 -5.074 7.658 -0.621 1.00 0.00 N ATOM 280 CA GLN A 19 -5.738 8.647 -1.522 1.00 0.00 C ATOM 281 C GLN A 19 -4.785 9.043 -2.652 1.00 0.00 C ATOM 282 O GLN A 19 -4.950 10.074 -3.275 1.00 0.00 O ATOM 283 CB GLN A 19 -6.111 9.894 -0.717 1.00 0.00 C ATOM 284 CG GLN A 19 -7.045 9.502 0.430 1.00 0.00 C ATOM 285 CD GLN A 19 -7.384 10.742 1.259 1.00 0.00 C ATOM 286 OE1 GLN A 19 -7.410 11.912 0.680 1.00 0.00 O flip ATOM 287 NE2 GLN A 19 -7.628 10.646 2.445 1.00 0.00 N flip ATOM 0 H GLN A 19 -4.620 8.061 0.199 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.636 8.199 -1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.212 10.367 -0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.598 10.624 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.957 9.056 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.569 8.750 1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.608 9.732 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.853 11.479 2.988 1.00 0.00 H new ATOM 296 N ASN A 20 -3.796 8.226 -2.929 1.00 0.00 N ATOM 297 CA ASN A 20 -2.827 8.534 -4.028 1.00 0.00 C ATOM 298 C ASN A 20 -3.059 7.525 -5.161 1.00 0.00 C ATOM 299 O ASN A 20 -3.344 6.372 -4.903 1.00 0.00 O ATOM 300 CB ASN A 20 -1.396 8.388 -3.498 1.00 0.00 C ATOM 301 CG ASN A 20 -1.101 9.510 -2.500 1.00 0.00 C ATOM 302 OD1 ASN A 20 -1.927 9.721 -1.511 1.00 0.00 O flip ATOM 303 ND2 ASN A 20 -0.109 10.201 -2.620 1.00 0.00 N flip ATOM 0 H ASN A 20 -3.618 7.351 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.970 9.552 -4.391 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.273 7.418 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.686 8.426 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.537 10.037 -3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.078 10.945 -1.948 1.00 0.00 H new ATOM 310 N PRO A 21 -2.958 7.933 -6.404 1.00 0.00 N ATOM 311 CA PRO A 21 -3.187 7.005 -7.548 1.00 0.00 C ATOM 312 C PRO A 21 -2.077 5.952 -7.672 1.00 0.00 C ATOM 313 O PRO A 21 -2.342 4.780 -7.854 1.00 0.00 O ATOM 314 CB PRO A 21 -3.224 7.935 -8.774 1.00 0.00 C ATOM 315 CG PRO A 21 -2.408 9.124 -8.374 1.00 0.00 C ATOM 316 CD PRO A 21 -2.619 9.294 -6.865 1.00 0.00 C ATOM 0 HA PRO A 21 -4.102 6.425 -7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.807 7.446 -9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.246 8.222 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.354 8.970 -8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.726 10.015 -8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.721 9.671 -6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.420 10.001 -6.650 1.00 0.00 H new ATOM 324 N ARG A 22 -0.837 6.354 -7.569 1.00 0.00 N ATOM 325 CA ARG A 22 0.274 5.363 -7.676 1.00 0.00 C ATOM 326 C ARG A 22 0.088 4.300 -6.587 1.00 0.00 C ATOM 327 O ARG A 22 0.427 3.147 -6.765 1.00 0.00 O ATOM 328 CB ARG A 22 1.627 6.077 -7.486 1.00 0.00 C ATOM 329 CG ARG A 22 2.091 6.714 -8.807 1.00 0.00 C ATOM 330 CD ARG A 22 1.121 7.821 -9.225 1.00 0.00 C ATOM 331 NE ARG A 22 1.706 8.589 -10.363 1.00 0.00 N ATOM 332 CZ ARG A 22 2.696 9.419 -10.159 1.00 0.00 C ATOM 333 NH1 ARG A 22 3.176 9.585 -8.956 1.00 0.00 N ATOM 334 NH2 ARG A 22 3.205 10.084 -11.160 1.00 0.00 N ATOM 0 H ARG A 22 -0.547 7.320 -7.416 1.00 0.00 H new ATOM 0 HA ARG A 22 0.261 4.892 -8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.535 6.845 -6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.375 5.365 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.094 7.124 -8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.146 5.954 -9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.164 7.390 -9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.927 8.487 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 22 1.332 8.466 -11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.779 9.067 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.948 10.233 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.831 9.956 -12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.977 10.732 -11.002 1.00 0.00 H new ATOM 348 N VAL A 23 -0.456 4.684 -5.464 1.00 0.00 N ATOM 349 CA VAL A 23 -0.677 3.703 -4.361 1.00 0.00 C ATOM 350 C VAL A 23 -1.856 2.803 -4.729 1.00 0.00 C ATOM 351 O VAL A 23 -1.752 1.592 -4.717 1.00 0.00 O ATOM 352 CB VAL A 23 -0.977 4.457 -3.061 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.304 3.464 -1.937 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.254 5.280 -2.668 1.00 0.00 C ATOM 0 H VAL A 23 -0.758 5.637 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 23 0.215 3.093 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.834 5.113 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.515 4.011 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.176 2.873 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.453 2.802 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.050 5.821 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.104 4.614 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.484 5.991 -3.461 1.00 0.00 H new ATOM 364 N GLN A 24 -2.976 3.383 -5.074 1.00 0.00 N ATOM 365 CA GLN A 24 -4.152 2.553 -5.461 1.00 0.00 C ATOM 366 C GLN A 24 -3.730 1.616 -6.592 1.00 0.00 C ATOM 367 O GLN A 24 -4.177 0.490 -6.687 1.00 0.00 O ATOM 368 CB GLN A 24 -5.287 3.462 -5.940 1.00 0.00 C ATOM 369 CG GLN A 24 -6.536 2.621 -6.213 1.00 0.00 C ATOM 370 CD GLN A 24 -7.710 3.543 -6.548 1.00 0.00 C ATOM 371 OE1 GLN A 24 -8.215 3.526 -7.653 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.168 4.354 -5.634 1.00 0.00 N ATOM 0 H GLN A 24 -3.126 4.392 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.501 1.974 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.503 4.219 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.987 3.990 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.352 1.935 -7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.775 2.013 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.744 4.368 -4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.950 4.973 -5.847 1.00 0.00 H new ATOM 381 N ALA A 25 -2.854 2.079 -7.441 1.00 0.00 N ATOM 382 CA ALA A 25 -2.370 1.230 -8.562 1.00 0.00 C ATOM 383 C ALA A 25 -1.468 0.136 -7.997 1.00 0.00 C ATOM 384 O ALA A 25 -1.397 -0.957 -8.520 1.00 0.00 O ATOM 385 CB ALA A 25 -1.575 2.097 -9.540 1.00 0.00 C ATOM 0 H ALA A 25 -2.451 3.015 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.214 0.778 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.217 1.481 -10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.216 2.888 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.724 2.542 -9.023 1.00 0.00 H new ATOM 391 N ALA A 26 -0.785 0.420 -6.923 1.00 0.00 N ATOM 392 CA ALA A 26 0.103 -0.606 -6.315 1.00 0.00 C ATOM 393 C ALA A 26 -0.766 -1.727 -5.739 1.00 0.00 C ATOM 394 O ALA A 26 -0.488 -2.896 -5.917 1.00 0.00 O ATOM 395 CB ALA A 26 0.935 0.037 -5.202 1.00 0.00 C ATOM 0 H ALA A 26 -0.804 1.319 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 26 0.777 -1.015 -7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.587 -0.714 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.541 0.841 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.271 0.442 -4.439 1.00 0.00 H new ATOM 401 N LEU A 27 -1.827 -1.376 -5.062 1.00 0.00 N ATOM 402 CA LEU A 27 -2.730 -2.415 -4.487 1.00 0.00 C ATOM 403 C LEU A 27 -3.509 -3.079 -5.620 1.00 0.00 C ATOM 404 O LEU A 27 -3.601 -4.288 -5.699 1.00 0.00 O ATOM 405 CB LEU A 27 -3.714 -1.760 -3.513 1.00 0.00 C ATOM 406 CG LEU A 27 -2.950 -1.061 -2.370 1.00 0.00 C ATOM 407 CD1 LEU A 27 -3.875 -0.054 -1.680 1.00 0.00 C ATOM 408 CD2 LEU A 27 -2.469 -2.093 -1.335 1.00 0.00 C ATOM 0 H LEU A 27 -2.108 -0.412 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.138 -3.160 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.333 -1.035 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.386 -2.514 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.085 -0.548 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.336 0.441 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.207 0.690 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.741 -0.575 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.932 -1.583 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.329 -2.618 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.805 -2.810 -1.818 1.00 0.00 H new ATOM 420 N MET A 28 -4.064 -2.299 -6.508 1.00 0.00 N ATOM 421 CA MET A 28 -4.826 -2.892 -7.640 1.00 0.00 C ATOM 422 C MET A 28 -3.895 -3.829 -8.409 1.00 0.00 C ATOM 423 O MET A 28 -4.278 -4.907 -8.820 1.00 0.00 O ATOM 424 CB MET A 28 -5.323 -1.773 -8.566 1.00 0.00 C ATOM 425 CG MET A 28 -6.310 -2.340 -9.593 1.00 0.00 C ATOM 426 SD MET A 28 -7.860 -2.776 -8.767 1.00 0.00 S ATOM 427 CE MET A 28 -8.669 -3.543 -10.193 1.00 0.00 C ATOM 0 H MET A 28 -4.022 -1.280 -6.497 1.00 0.00 H new ATOM 0 HA MET A 28 -5.687 -3.447 -7.267 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.806 -0.992 -7.979 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.478 -1.312 -9.078 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.497 -1.606 -10.376 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.883 -3.219 -10.076 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.661 -3.892 -9.905 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.761 -2.812 -10.996 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.073 -4.388 -10.538 1.00 0.00 H new ATOM 437 N GLU A 29 -2.665 -3.429 -8.589 1.00 0.00 N ATOM 438 CA GLU A 29 -1.696 -4.296 -9.312 1.00 0.00 C ATOM 439 C GLU A 29 -1.289 -5.451 -8.396 1.00 0.00 C ATOM 440 O GLU A 29 -0.978 -6.534 -8.850 1.00 0.00 O ATOM 441 CB GLU A 29 -0.456 -3.476 -9.688 1.00 0.00 C ATOM 442 CG GLU A 29 0.456 -4.296 -10.614 1.00 0.00 C ATOM 443 CD GLU A 29 -0.199 -4.450 -11.990 1.00 0.00 C ATOM 444 OE1 GLU A 29 -1.180 -3.768 -12.241 1.00 0.00 O ATOM 445 OE2 GLU A 29 0.292 -5.249 -12.770 1.00 0.00 O ATOM 0 H GLU A 29 -2.291 -2.537 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.154 -4.688 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.757 -2.553 -10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.088 -3.191 -8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.423 -3.803 -10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.642 -5.278 -10.179 1.00 0.00 H new ATOM 452 N CYS A 30 -1.285 -5.232 -7.106 1.00 0.00 N ATOM 453 CA CYS A 30 -0.892 -6.328 -6.172 1.00 0.00 C ATOM 454 C CYS A 30 -1.767 -7.557 -6.431 1.00 0.00 C ATOM 455 O CYS A 30 -1.310 -8.681 -6.372 1.00 0.00 O ATOM 456 CB CYS A 30 -1.074 -5.863 -4.725 1.00 0.00 C ATOM 457 SG CYS A 30 -0.341 -7.080 -3.604 1.00 0.00 S ATOM 0 H CYS A 30 -1.535 -4.348 -6.662 1.00 0.00 H new ATOM 0 HA CYS A 30 0.154 -6.586 -6.337 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.602 -4.891 -4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.134 -5.739 -4.502 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.493 -6.685 -2.375 1.00 0.00 H new ATOM 463 N SER A 31 -3.024 -7.350 -6.715 1.00 0.00 N ATOM 464 CA SER A 31 -3.933 -8.494 -6.976 1.00 0.00 C ATOM 465 C SER A 31 -3.320 -9.417 -8.033 1.00 0.00 C ATOM 466 O SER A 31 -3.586 -10.602 -8.065 1.00 0.00 O ATOM 467 CB SER A 31 -5.279 -7.970 -7.478 1.00 0.00 C ATOM 468 OG SER A 31 -5.093 -7.320 -8.729 1.00 0.00 O ATOM 0 H SER A 31 -3.460 -6.430 -6.777 1.00 0.00 H new ATOM 0 HA SER A 31 -4.078 -9.054 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.986 -8.793 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.705 -7.275 -6.754 1.00 0.00 H new ATOM 0 HG SER A 31 -4.523 -6.533 -8.607 1.00 0.00 H new ATOM 474 N GLU A 32 -2.501 -8.884 -8.901 1.00 0.00 N ATOM 475 CA GLU A 32 -1.876 -9.734 -9.954 1.00 0.00 C ATOM 476 C GLU A 32 -0.828 -10.646 -9.320 1.00 0.00 C ATOM 477 O GLU A 32 -0.882 -11.852 -9.453 1.00 0.00 O ATOM 478 CB GLU A 32 -1.194 -8.840 -10.993 1.00 0.00 C ATOM 479 CG GLU A 32 -2.244 -7.973 -11.691 1.00 0.00 C ATOM 480 CD GLU A 32 -1.583 -7.178 -12.818 1.00 0.00 C ATOM 481 OE1 GLU A 32 -0.563 -7.627 -13.314 1.00 0.00 O ATOM 482 OE2 GLU A 32 -2.108 -6.133 -13.165 1.00 0.00 O ATOM 0 H GLU A 32 -2.239 -7.899 -8.926 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.647 -10.337 -10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.448 -8.208 -10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.668 -9.452 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.040 -8.600 -12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.705 -7.293 -10.974 1.00 0.00 H new ATOM 489 N ASN A 33 0.127 -10.078 -8.631 1.00 0.00 N ATOM 490 CA ASN A 33 1.188 -10.908 -7.986 1.00 0.00 C ATOM 491 C ASN A 33 2.252 -9.970 -7.385 1.00 0.00 C ATOM 492 O ASN A 33 2.381 -8.839 -7.810 1.00 0.00 O ATOM 493 CB ASN A 33 1.842 -11.825 -9.044 1.00 0.00 C ATOM 494 CG ASN A 33 1.867 -11.116 -10.401 1.00 0.00 C ATOM 495 OD1 ASN A 33 1.806 -9.904 -10.468 1.00 0.00 O ATOM 496 ND2 ASN A 33 1.955 -11.826 -11.493 1.00 0.00 N ATOM 0 H ASN A 33 0.218 -9.072 -8.487 1.00 0.00 H new ATOM 0 HA ASN A 33 0.752 -11.525 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.856 -12.082 -8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.286 -12.760 -9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.973 -11.364 -12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.006 -12.843 -11.437 1.00 0.00 H new ATOM 503 N PRO A 34 3.022 -10.429 -6.418 1.00 0.00 N ATOM 504 CA PRO A 34 4.096 -9.597 -5.792 1.00 0.00 C ATOM 505 C PRO A 34 4.946 -8.853 -6.836 1.00 0.00 C ATOM 506 O PRO A 34 5.751 -8.007 -6.505 1.00 0.00 O ATOM 507 CB PRO A 34 4.949 -10.628 -5.038 1.00 0.00 C ATOM 508 CG PRO A 34 3.986 -11.707 -4.661 1.00 0.00 C ATOM 509 CD PRO A 34 2.957 -11.775 -5.801 1.00 0.00 C ATOM 0 HA PRO A 34 3.686 -8.814 -5.154 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.752 -11.014 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.417 -10.188 -4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.498 -12.662 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.501 -11.483 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.207 -12.556 -6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.958 -11.995 -5.425 1.00 0.00 H new ATOM 517 N MET A 35 4.774 -9.169 -8.092 1.00 0.00 N ATOM 518 CA MET A 35 5.570 -8.490 -9.152 1.00 0.00 C ATOM 519 C MET A 35 5.144 -7.024 -9.232 1.00 0.00 C ATOM 520 O MET A 35 5.750 -6.222 -9.912 1.00 0.00 O ATOM 521 CB MET A 35 5.314 -9.194 -10.497 1.00 0.00 C ATOM 522 CG MET A 35 6.296 -8.698 -11.582 1.00 0.00 C ATOM 523 SD MET A 35 5.601 -7.256 -12.433 1.00 0.00 S ATOM 524 CE MET A 35 6.826 -7.167 -13.762 1.00 0.00 C ATOM 0 H MET A 35 4.114 -9.870 -8.429 1.00 0.00 H new ATOM 0 HA MET A 35 6.634 -8.540 -8.919 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.419 -10.272 -10.372 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.289 -9.009 -10.818 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.252 -8.437 -11.128 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.491 -9.495 -12.299 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.588 -6.332 -14.421 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.818 -7.020 -13.334 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.811 -8.095 -14.333 1.00 0.00 H new ATOM 534 N ASN A 36 4.102 -6.669 -8.534 1.00 0.00 N ATOM 535 CA ASN A 36 3.632 -5.258 -8.564 1.00 0.00 C ATOM 536 C ASN A 36 4.752 -4.328 -8.102 1.00 0.00 C ATOM 537 O ASN A 36 5.091 -3.365 -8.762 1.00 0.00 O ATOM 538 CB ASN A 36 2.441 -5.094 -7.616 1.00 0.00 C ATOM 539 CG ASN A 36 2.804 -5.658 -6.242 1.00 0.00 C ATOM 540 OD1 ASN A 36 3.324 -4.952 -5.401 1.00 0.00 O ATOM 541 ND2 ASN A 36 2.552 -6.909 -5.976 1.00 0.00 N ATOM 0 H ASN A 36 3.556 -7.296 -7.944 1.00 0.00 H new ATOM 0 HA ASN A 36 3.338 -5.006 -9.583 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.173 -4.041 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.570 -5.613 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.791 -7.294 -5.062 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.115 -7.502 -6.681 1.00 0.00 H new ATOM 548 N ILE A 37 5.308 -4.598 -6.956 1.00 0.00 N ATOM 549 CA ILE A 37 6.381 -3.721 -6.419 1.00 0.00 C ATOM 550 C ILE A 37 7.616 -3.772 -7.325 1.00 0.00 C ATOM 551 O ILE A 37 8.319 -2.794 -7.483 1.00 0.00 O ATOM 552 CB ILE A 37 6.727 -4.180 -4.986 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.411 -3.034 -4.214 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.657 -5.406 -5.018 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.422 -1.880 -3.959 1.00 0.00 C ATOM 0 H ILE A 37 5.064 -5.393 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 37 6.035 -2.688 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 37 5.800 -4.454 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.794 -3.407 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.267 -2.667 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.889 -5.714 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.162 -6.225 -5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.580 -5.149 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.926 -1.083 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.059 -1.494 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.580 -2.246 -3.372 1.00 0.00 H new ATOM 567 N MET A 38 7.888 -4.900 -7.920 1.00 0.00 N ATOM 568 CA MET A 38 9.080 -5.001 -8.811 1.00 0.00 C ATOM 569 C MET A 38 9.031 -3.884 -9.859 1.00 0.00 C ATOM 570 O MET A 38 10.027 -3.550 -10.470 1.00 0.00 O ATOM 571 CB MET A 38 9.078 -6.363 -9.510 1.00 0.00 C ATOM 572 CG MET A 38 9.316 -7.475 -8.483 1.00 0.00 C ATOM 573 SD MET A 38 11.034 -7.417 -7.915 1.00 0.00 S ATOM 574 CE MET A 38 10.882 -8.654 -6.603 1.00 0.00 C ATOM 0 H MET A 38 7.339 -5.755 -7.829 1.00 0.00 H new ATOM 0 HA MET A 38 9.989 -4.899 -8.218 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.126 -6.521 -10.016 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.854 -6.390 -10.275 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.638 -7.355 -7.638 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.102 -8.447 -8.928 1.00 0.00 H new ATOM 0 HE1 MET A 38 11.845 -8.780 -6.109 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.141 -8.323 -5.875 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.568 -9.605 -7.034 1.00 0.00 H new ATOM 584 N LYS A 39 7.875 -3.302 -10.065 1.00 0.00 N ATOM 585 CA LYS A 39 7.741 -2.198 -11.068 1.00 0.00 C ATOM 586 C LYS A 39 7.790 -0.847 -10.351 1.00 0.00 C ATOM 587 O LYS A 39 8.505 0.051 -10.749 1.00 0.00 O ATOM 588 CB LYS A 39 6.398 -2.332 -11.792 1.00 0.00 C ATOM 589 CG LYS A 39 6.369 -3.642 -12.588 1.00 0.00 C ATOM 590 CD LYS A 39 4.948 -3.905 -13.109 1.00 0.00 C ATOM 591 CE LYS A 39 4.523 -2.800 -14.088 1.00 0.00 C ATOM 592 NZ LYS A 39 3.382 -3.287 -14.914 1.00 0.00 N ATOM 0 H LYS A 39 7.012 -3.546 -9.578 1.00 0.00 H new ATOM 0 HA LYS A 39 8.557 -2.261 -11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.581 -2.316 -11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.249 -1.485 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.067 -3.586 -13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.693 -4.469 -11.956 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.910 -4.874 -13.606 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.250 -3.948 -12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.234 -1.904 -13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.360 -2.525 -14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.091 -2.542 -15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.674 -4.131 -15.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.583 -3.529 -14.294 1.00 0.00 H new ATOM 606 N TYR A 40 7.028 -0.692 -9.301 1.00 0.00 N ATOM 607 CA TYR A 40 7.021 0.598 -8.562 1.00 0.00 C ATOM 608 C TYR A 40 8.315 0.744 -7.764 1.00 0.00 C ATOM 609 O TYR A 40 8.460 1.645 -6.962 1.00 0.00 O ATOM 610 CB TYR A 40 5.829 0.617 -7.608 1.00 0.00 C ATOM 611 CG TYR A 40 4.566 0.340 -8.386 1.00 0.00 C ATOM 612 CD1 TYR A 40 4.118 1.278 -9.321 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.848 -0.846 -8.185 1.00 0.00 C ATOM 614 CE1 TYR A 40 2.954 1.037 -10.056 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.684 -1.089 -8.922 1.00 0.00 C ATOM 616 CZ TYR A 40 2.236 -0.149 -9.858 1.00 0.00 C ATOM 617 OH TYR A 40 1.088 -0.390 -10.584 1.00 0.00 O ATOM 0 H TYR A 40 6.408 -1.409 -8.924 1.00 0.00 H new ATOM 0 HA TYR A 40 6.943 1.424 -9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.961 -0.132 -6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.760 1.585 -7.112 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.673 2.191 -9.476 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.192 -1.571 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.609 1.764 -10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.130 -2.003 -8.769 1.00 0.00 H new ATOM 0 HH TYR A 40 0.343 -0.561 -9.971 1.00 0.00 H new ATOM 627 N GLN A 41 9.259 -0.130 -7.978 1.00 0.00 N ATOM 628 CA GLN A 41 10.542 -0.031 -7.229 1.00 0.00 C ATOM 629 C GLN A 41 11.152 1.352 -7.461 1.00 0.00 C ATOM 630 O GLN A 41 11.930 1.842 -6.667 1.00 0.00 O ATOM 631 CB GLN A 41 11.502 -1.123 -7.715 1.00 0.00 C ATOM 632 CG GLN A 41 11.871 -0.901 -9.200 1.00 0.00 C ATOM 633 CD GLN A 41 13.081 0.036 -9.318 1.00 0.00 C ATOM 634 OE1 GLN A 41 13.623 0.233 -10.489 1.00 0.00 O flip ATOM 635 NE2 GLN A 41 13.540 0.588 -8.338 1.00 0.00 N flip ATOM 0 H GLN A 41 9.198 -0.906 -8.637 1.00 0.00 H new ATOM 0 HA GLN A 41 10.363 -0.169 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.406 -1.118 -7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.040 -2.102 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.097 -1.857 -9.672 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.021 -0.475 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.118 0.435 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.348 1.204 -8.431 1.00 0.00 H new ATOM 644 N ASN A 42 10.791 1.990 -8.544 1.00 0.00 N ATOM 645 CA ASN A 42 11.332 3.350 -8.836 1.00 0.00 C ATOM 646 C ASN A 42 10.416 4.398 -8.200 1.00 0.00 C ATOM 647 O ASN A 42 10.813 5.523 -7.968 1.00 0.00 O ATOM 648 CB ASN A 42 11.372 3.567 -10.352 1.00 0.00 C ATOM 649 CG ASN A 42 12.414 2.637 -10.975 1.00 0.00 C ATOM 650 OD1 ASN A 42 13.582 2.710 -10.651 1.00 0.00 O ATOM 651 ND2 ASN A 42 12.037 1.758 -11.863 1.00 0.00 N ATOM 0 H ASN A 42 10.142 1.626 -9.241 1.00 0.00 H new ATOM 0 HA ASN A 42 12.339 3.441 -8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.390 3.371 -10.784 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.617 4.606 -10.575 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.723 1.132 -12.285 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.056 1.697 -12.135 1.00 0.00 H new ATOM 658 N ASP A 43 9.189 4.040 -7.919 1.00 0.00 N ATOM 659 CA ASP A 43 8.245 5.019 -7.300 1.00 0.00 C ATOM 660 C ASP A 43 8.480 5.067 -5.786 1.00 0.00 C ATOM 661 O ASP A 43 7.849 4.356 -5.027 1.00 0.00 O ATOM 662 CB ASP A 43 6.804 4.579 -7.590 1.00 0.00 C ATOM 663 CG ASP A 43 5.840 5.740 -7.325 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.261 6.708 -6.713 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.698 5.638 -7.739 1.00 0.00 O ATOM 0 H ASP A 43 8.800 3.113 -8.091 1.00 0.00 H new ATOM 0 HA ASP A 43 8.413 6.011 -7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.716 4.251 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.542 3.727 -6.963 1.00 0.00 H new ATOM 670 N LYS A 44 9.388 5.895 -5.341 1.00 0.00 N ATOM 671 CA LYS A 44 9.678 5.983 -3.885 1.00 0.00 C ATOM 672 C LYS A 44 8.376 6.154 -3.096 1.00 0.00 C ATOM 673 O LYS A 44 8.274 5.740 -1.958 1.00 0.00 O ATOM 674 CB LYS A 44 10.604 7.182 -3.621 1.00 0.00 C ATOM 675 CG LYS A 44 12.041 6.818 -4.006 1.00 0.00 C ATOM 676 CD LYS A 44 12.924 8.067 -3.942 1.00 0.00 C ATOM 677 CE LYS A 44 14.359 7.699 -4.323 1.00 0.00 C ATOM 678 NZ LYS A 44 14.901 6.726 -3.332 1.00 0.00 N ATOM 0 H LYS A 44 9.943 6.517 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 44 10.167 5.064 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.270 8.045 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.559 7.464 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.426 6.054 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.063 6.396 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.541 8.831 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.901 8.491 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.382 7.267 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.981 8.594 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.940 6.743 -3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.578 6.986 -2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.563 5.770 -3.564 1.00 0.00 H new ATOM 692 N GLU A 45 7.380 6.753 -3.686 1.00 0.00 N ATOM 693 CA GLU A 45 6.096 6.936 -2.957 1.00 0.00 C ATOM 694 C GLU A 45 5.515 5.560 -2.624 1.00 0.00 C ATOM 695 O GLU A 45 5.208 5.261 -1.488 1.00 0.00 O ATOM 696 CB GLU A 45 5.114 7.716 -3.842 1.00 0.00 C ATOM 697 CG GLU A 45 3.883 8.130 -3.024 1.00 0.00 C ATOM 698 CD GLU A 45 4.270 9.217 -2.017 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.528 10.329 -2.446 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.302 8.917 -0.835 1.00 0.00 O ATOM 0 H GLU A 45 7.399 7.122 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 45 6.266 7.494 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.603 8.600 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.808 7.101 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.101 8.498 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.475 7.265 -2.501 1.00 0.00 H new ATOM 707 N VAL A 46 5.372 4.716 -3.607 1.00 0.00 N ATOM 708 CA VAL A 46 4.817 3.362 -3.350 1.00 0.00 C ATOM 709 C VAL A 46 5.762 2.588 -2.436 1.00 0.00 C ATOM 710 O VAL A 46 5.344 1.749 -1.683 1.00 0.00 O ATOM 711 CB VAL A 46 4.678 2.610 -4.674 1.00 0.00 C ATOM 712 CG1 VAL A 46 4.048 1.235 -4.427 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.789 3.413 -5.629 1.00 0.00 C ATOM 0 H VAL A 46 5.617 4.908 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 46 3.841 3.457 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 46 5.665 2.480 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.951 0.704 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.682 0.660 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.062 1.362 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.691 2.876 -6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.803 3.547 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.240 4.388 -5.812 1.00 0.00 H new ATOM 723 N MET A 47 7.034 2.855 -2.503 1.00 0.00 N ATOM 724 CA MET A 47 7.995 2.110 -1.636 1.00 0.00 C ATOM 725 C MET A 47 7.712 2.421 -0.172 1.00 0.00 C ATOM 726 O MET A 47 7.555 1.536 0.635 1.00 0.00 O ATOM 727 CB MET A 47 9.428 2.524 -1.973 1.00 0.00 C ATOM 728 CG MET A 47 9.760 2.116 -3.411 1.00 0.00 C ATOM 729 SD MET A 47 9.913 0.312 -3.505 1.00 0.00 S ATOM 730 CE MET A 47 11.680 0.198 -3.127 1.00 0.00 C ATOM 0 H MET A 47 7.452 3.554 -3.117 1.00 0.00 H new ATOM 0 HA MET A 47 7.877 1.041 -1.812 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.542 3.602 -1.855 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.125 2.052 -1.281 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.979 2.462 -4.088 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.690 2.588 -3.729 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.987 -0.848 -3.134 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.249 0.748 -3.877 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.870 0.625 -2.142 1.00 0.00 H new ATOM 740 N ASP A 48 7.653 3.668 0.179 1.00 0.00 N ATOM 741 CA ASP A 48 7.383 4.026 1.600 1.00 0.00 C ATOM 742 C ASP A 48 6.056 3.410 2.050 1.00 0.00 C ATOM 743 O ASP A 48 5.880 3.031 3.193 1.00 0.00 O ATOM 744 CB ASP A 48 7.284 5.555 1.712 1.00 0.00 C ATOM 745 CG ASP A 48 7.523 5.993 3.160 1.00 0.00 C ATOM 746 OD1 ASP A 48 8.673 6.192 3.516 1.00 0.00 O ATOM 747 OD2 ASP A 48 6.551 6.123 3.887 1.00 0.00 O ATOM 0 H ASP A 48 7.779 4.459 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 48 8.188 3.648 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.018 6.024 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.301 5.889 1.380 1.00 0.00 H new ATOM 752 N VAL A 49 5.114 3.342 1.159 1.00 0.00 N ATOM 753 CA VAL A 49 3.776 2.803 1.509 1.00 0.00 C ATOM 754 C VAL A 49 3.805 1.277 1.570 1.00 0.00 C ATOM 755 O VAL A 49 3.419 0.677 2.551 1.00 0.00 O ATOM 756 CB VAL A 49 2.795 3.272 0.435 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.395 2.744 0.744 1.00 0.00 C ATOM 758 CG2 VAL A 49 2.779 4.809 0.405 1.00 0.00 C ATOM 0 H VAL A 49 5.215 3.641 0.189 1.00 0.00 H new ATOM 0 HA VAL A 49 3.471 3.163 2.492 1.00 0.00 H new ATOM 0 HB VAL A 49 3.108 2.891 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.701 3.082 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.413 1.654 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.071 3.119 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.081 5.151 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.466 5.189 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.778 5.179 0.175 1.00 0.00 H new ATOM 768 N PHE A 50 4.252 0.650 0.527 1.00 0.00 N ATOM 769 CA PHE A 50 4.303 -0.836 0.510 1.00 0.00 C ATOM 770 C PHE A 50 5.333 -1.313 1.533 1.00 0.00 C ATOM 771 O PHE A 50 5.242 -2.403 2.064 1.00 0.00 O ATOM 772 CB PHE A 50 4.658 -1.317 -0.914 1.00 0.00 C ATOM 773 CG PHE A 50 3.400 -1.825 -1.587 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.275 -0.995 -1.641 1.00 0.00 C ATOM 775 CD2 PHE A 50 3.347 -3.114 -2.135 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.098 -1.446 -2.240 1.00 0.00 C ATOM 777 CE2 PHE A 50 2.167 -3.565 -2.737 1.00 0.00 C ATOM 778 CZ PHE A 50 1.043 -2.732 -2.790 1.00 0.00 C ATOM 0 H PHE A 50 4.588 1.104 -0.323 1.00 0.00 H new ATOM 0 HA PHE A 50 3.333 -1.255 0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.091 -0.500 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.407 -2.107 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.318 -0.002 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.214 -3.757 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.231 -0.804 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.123 -4.557 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.133 -3.082 -3.255 1.00 0.00 H new ATOM 788 N ASN A 51 6.300 -0.494 1.827 1.00 0.00 N ATOM 789 CA ASN A 51 7.328 -0.883 2.830 1.00 0.00 C ATOM 790 C ASN A 51 6.728 -0.697 4.216 1.00 0.00 C ATOM 791 O ASN A 51 7.098 -1.362 5.162 1.00 0.00 O ATOM 792 CB ASN A 51 8.563 0.009 2.684 1.00 0.00 C ATOM 793 CG ASN A 51 9.620 -0.413 3.705 1.00 0.00 C ATOM 794 OD1 ASN A 51 9.507 -1.456 4.319 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.651 0.358 3.916 1.00 0.00 N ATOM 0 H ASN A 51 6.424 0.431 1.415 1.00 0.00 H new ATOM 0 HA ASN A 51 7.627 -1.920 2.678 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.965 -0.071 1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.291 1.053 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.361 0.085 4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.747 1.233 3.401 1.00 0.00 H new ATOM 802 N LYS A 52 5.778 0.195 4.340 1.00 0.00 N ATOM 803 CA LYS A 52 5.131 0.406 5.661 1.00 0.00 C ATOM 804 C LYS A 52 4.104 -0.697 5.850 1.00 0.00 C ATOM 805 O LYS A 52 4.022 -1.343 6.875 1.00 0.00 O ATOM 806 CB LYS A 52 4.429 1.766 5.684 1.00 0.00 C ATOM 807 CG LYS A 52 3.838 2.008 7.076 1.00 0.00 C ATOM 808 CD LYS A 52 3.218 3.416 7.156 1.00 0.00 C ATOM 809 CE LYS A 52 4.312 4.496 7.231 1.00 0.00 C ATOM 810 NZ LYS A 52 3.721 5.753 7.771 1.00 0.00 N ATOM 0 H LYS A 52 5.426 0.782 3.584 1.00 0.00 H new ATOM 0 HA LYS A 52 5.874 0.384 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.136 2.557 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.641 1.794 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.079 1.256 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.616 1.902 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.589 3.590 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.574 3.484 8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.129 4.160 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.733 4.674 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.228 6.572 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.717 5.807 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.805 5.759 8.808 1.00 0.00 H new ATOM 824 N ILE A 53 3.325 -0.908 4.836 1.00 0.00 N ATOM 825 CA ILE A 53 2.280 -1.958 4.871 1.00 0.00 C ATOM 826 C ILE A 53 2.916 -3.295 5.249 1.00 0.00 C ATOM 827 O ILE A 53 2.316 -4.116 5.897 1.00 0.00 O ATOM 828 CB ILE A 53 1.645 -2.030 3.458 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.288 -1.321 3.454 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.455 -3.480 2.988 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.431 0.123 3.951 1.00 0.00 C ATOM 0 H ILE A 53 3.370 -0.384 3.962 1.00 0.00 H new ATOM 0 HA ILE A 53 1.513 -1.729 5.611 1.00 0.00 H new ATOM 0 HB ILE A 53 2.330 -1.534 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.127 -1.325 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.413 -1.862 4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.008 -3.485 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.422 -3.981 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.800 -4.005 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.544 0.610 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.825 0.121 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.115 0.666 3.299 1.00 0.00 H new ATOM 843 N SER A 54 4.106 -3.533 4.799 1.00 0.00 N ATOM 844 CA SER A 54 4.772 -4.836 5.090 1.00 0.00 C ATOM 845 C SER A 54 5.425 -4.836 6.476 1.00 0.00 C ATOM 846 O SER A 54 5.498 -5.854 7.135 1.00 0.00 O ATOM 847 CB SER A 54 5.841 -5.085 4.030 1.00 0.00 C ATOM 848 OG SER A 54 6.363 -6.398 4.184 1.00 0.00 O ATOM 0 H SER A 54 4.656 -2.882 4.238 1.00 0.00 H new ATOM 0 HA SER A 54 4.018 -5.623 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.415 -4.966 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.641 -4.351 4.125 1.00 0.00 H new ATOM 0 HG SER A 54 7.049 -6.559 3.503 1.00 0.00 H new ATOM 854 N GLN A 55 5.932 -3.715 6.912 1.00 0.00 N ATOM 855 CA GLN A 55 6.620 -3.668 8.244 1.00 0.00 C ATOM 856 C GLN A 55 5.611 -3.446 9.373 1.00 0.00 C ATOM 857 O GLN A 55 5.686 -4.063 10.417 1.00 0.00 O ATOM 858 CB GLN A 55 7.635 -2.521 8.242 1.00 0.00 C ATOM 859 CG GLN A 55 8.766 -2.838 7.259 1.00 0.00 C ATOM 860 CD GLN A 55 9.684 -1.622 7.123 1.00 0.00 C ATOM 861 OE1 GLN A 55 9.159 -0.440 6.945 1.00 0.00 O flip ATOM 862 NE2 GLN A 55 10.891 -1.747 7.180 1.00 0.00 N flip ATOM 0 H GLN A 55 5.902 -2.829 6.408 1.00 0.00 H new ATOM 0 HA GLN A 55 7.123 -4.621 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.145 -1.589 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.040 -2.378 9.244 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.335 -3.699 7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.352 -3.104 6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.302 -2.670 7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.493 -0.929 7.089 1.00 0.00 H new ATOM 871 N LEU A 56 4.687 -2.552 9.182 1.00 0.00 N ATOM 872 CA LEU A 56 3.687 -2.260 10.253 1.00 0.00 C ATOM 873 C LEU A 56 2.659 -3.393 10.330 1.00 0.00 C ATOM 874 O LEU A 56 1.703 -3.323 11.077 1.00 0.00 O ATOM 875 CB LEU A 56 2.980 -0.930 9.931 1.00 0.00 C ATOM 876 CG LEU A 56 3.889 0.277 10.265 1.00 0.00 C ATOM 877 CD1 LEU A 56 4.014 0.468 11.789 1.00 0.00 C ATOM 878 CD2 LEU A 56 5.289 0.077 9.656 1.00 0.00 C ATOM 0 H LEU A 56 4.577 -2.006 8.328 1.00 0.00 H new ATOM 0 HA LEU A 56 4.193 -2.181 11.215 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.709 -0.904 8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.053 -0.860 10.500 1.00 0.00 H new ATOM 0 HG LEU A 56 3.432 1.169 9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.658 1.323 11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.027 0.645 12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.446 -0.428 12.234 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.917 0.934 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.737 -0.829 10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.205 -0.016 8.573 1.00 0.00 H new