USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 616 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 71 ASN :FLIP amide:sc= -0.0192 F(o=-1.3,f=-0.2) USER MOD Set 1.2: A 74 CYS SG : rot 70:sc= -0.186 USER MOD Set 2.1: A 64 MET CE :methyl -137:sc= -0.0122 (180deg=-2.65!) USER MOD Set 2.2: A 65 GLN : amide:sc= -0.809 K(o=-0.82,f=-2.6) USER MOD Set 3.1: A 54 MET CE :methyl -172:sc= -1.19 (180deg=-0.866) USER MOD Set 3.2: A 77 MET CE :methyl 158:sc= -3.52! (180deg=-4.05!) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 39 ASN : amide:sc= 0.06 X(o=0.06,f=-0.074) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.198 USER MOD Single : A 11 THR OG1 : rot -44:sc= 0.711 USER MOD Single : A 12 SER OG : rot 180:sc= 0.112 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0239 F(o=-0.63,f=-0.024) USER MOD Single : A 21 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.8!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.173) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.0789 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-2.1,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0722 X(o=-0.072,f=-0.096) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc=0.000628 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.371) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 8 -1.384 -9.060 5.720 1.00 0.00 N ATOM 99 CA VAL A 8 -2.544 -8.174 5.563 1.00 0.00 C ATOM 100 C VAL A 8 -3.135 -7.766 6.907 1.00 0.00 C ATOM 101 O VAL A 8 -4.351 -7.707 7.104 1.00 0.00 O ATOM 102 CB VAL A 8 -3.557 -8.783 4.578 1.00 0.00 C ATOM 103 CG1 VAL A 8 -2.962 -8.952 3.172 1.00 0.00 C ATOM 104 CG2 VAL A 8 -4.041 -10.136 5.101 1.00 0.00 C ATOM 0 HA VAL A 8 -2.216 -7.236 5.116 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.397 -8.093 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.711 -9.385 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.656 -7.979 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.096 -9.612 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.758 -10.562 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.191 -10.811 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.519 -10.001 6.071 1.00 0.00 H new ATOM 114 N LYS A 9 -2.274 -7.434 7.863 1.00 0.00 N ATOM 115 CA LYS A 9 -2.659 -7.240 9.247 1.00 0.00 C ATOM 116 C LYS A 9 -3.070 -5.785 9.490 1.00 0.00 C ATOM 117 O LYS A 9 -2.735 -5.219 10.537 1.00 0.00 O ATOM 118 CB LYS A 9 -1.575 -7.768 10.199 1.00 0.00 C ATOM 119 CG LYS A 9 -0.176 -7.236 9.866 1.00 0.00 C ATOM 120 CD LYS A 9 0.727 -8.355 9.353 1.00 0.00 C ATOM 121 CE LYS A 9 2.216 -7.979 9.323 1.00 0.00 C ATOM 122 NZ LYS A 9 2.540 -6.809 8.476 1.00 0.00 N ATOM 0 H LYS A 9 -1.279 -7.292 7.692 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.544 -7.835 9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.830 -7.490 11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.563 -8.857 10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.251 -6.451 9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.266 -6.785 10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.596 -9.234 9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.411 -8.633 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.546 -7.776 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.787 -8.837 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.563 -6.626 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.259 -7.003 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.026 -5.975 8.825 1.00 0.00 H new ATOM 136 N CYS A 10 -3.765 -5.191 8.510 1.00 0.00 N ATOM 137 CA CYS A 10 -4.102 -3.781 8.349 1.00 0.00 C ATOM 138 C CYS A 10 -2.878 -2.868 8.362 1.00 0.00 C ATOM 139 O CYS A 10 -2.605 -2.277 7.328 1.00 0.00 O ATOM 140 CB CYS A 10 -5.135 -3.376 9.389 1.00 0.00 C ATOM 141 SG CYS A 10 -6.823 -3.724 8.838 1.00 0.00 S ATOM 0 H CYS A 10 -4.138 -5.745 7.739 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.538 -3.655 7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.940 -3.908 10.320 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.036 -2.312 9.604 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.664 -3.363 9.761 1.00 0.00 H new ATOM 147 N THR A 11 -2.171 -2.756 9.488 1.00 0.00 N ATOM 148 CA THR A 11 -1.040 -1.892 9.750 1.00 0.00 C ATOM 149 C THR A 11 -1.496 -0.462 9.955 1.00 0.00 C ATOM 150 O THR A 11 -2.667 -0.147 10.193 1.00 0.00 O ATOM 151 CB THR A 11 0.143 -2.095 8.760 1.00 0.00 C ATOM 152 OG1 THR A 11 0.073 -1.431 7.511 1.00 0.00 O ATOM 153 CG2 THR A 11 0.286 -3.560 8.436 1.00 0.00 C ATOM 0 H THR A 11 -2.403 -3.321 10.305 1.00 0.00 H new ATOM 0 HA THR A 11 -0.592 -2.193 10.697 1.00 0.00 H new ATOM 0 HB THR A 11 0.982 -1.657 9.301 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.829 -1.527 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.115 -3.700 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.481 -4.118 9.352 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.635 -3.923 7.979 1.00 0.00 H new ATOM 161 N SER A 12 -0.493 0.382 9.878 1.00 0.00 N ATOM 162 CA SER A 12 -0.463 1.805 10.059 1.00 0.00 C ATOM 163 C SER A 12 -1.653 2.443 9.356 1.00 0.00 C ATOM 164 O SER A 12 -1.780 2.408 8.131 1.00 0.00 O ATOM 165 CB SER A 12 0.860 2.250 9.440 1.00 0.00 C ATOM 166 OG SER A 12 1.927 1.503 10.001 1.00 0.00 O ATOM 0 H SER A 12 0.440 0.034 9.658 1.00 0.00 H new ATOM 0 HA SER A 12 -0.530 2.101 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.833 2.108 8.360 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.016 3.314 9.618 1.00 0.00 H new ATOM 0 HG SER A 12 2.774 1.790 9.600 1.00 0.00 H new ATOM 172 N VAL A 13 -2.569 3.002 10.145 1.00 0.00 N ATOM 173 CA VAL A 13 -3.802 3.630 9.675 1.00 0.00 C ATOM 174 C VAL A 13 -3.588 4.678 8.584 1.00 0.00 C ATOM 175 O VAL A 13 -4.541 4.965 7.862 1.00 0.00 O ATOM 176 CB VAL A 13 -4.578 4.252 10.847 1.00 0.00 C ATOM 177 CG1 VAL A 13 -5.331 3.174 11.621 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.652 5.055 11.764 1.00 0.00 C ATOM 0 H VAL A 13 -2.470 3.031 11.160 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.385 2.826 9.225 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.310 4.949 10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.875 3.632 12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.035 2.674 10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.622 2.445 12.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.231 5.482 12.583 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.882 4.398 12.168 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.183 5.857 11.195 1.00 0.00 H new ATOM 188 N VAL A 14 -2.365 5.190 8.412 1.00 0.00 N ATOM 189 CA VAL A 14 -1.964 6.073 7.328 1.00 0.00 C ATOM 190 C VAL A 14 -2.512 5.548 5.999 1.00 0.00 C ATOM 191 O VAL A 14 -3.110 6.313 5.242 1.00 0.00 O ATOM 192 CB VAL A 14 -0.425 6.168 7.270 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.050 7.223 6.265 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.214 6.497 8.623 1.00 0.00 C ATOM 0 H VAL A 14 -1.600 4.988 9.055 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.371 7.068 7.508 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.106 5.174 6.957 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.140 7.255 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.312 6.966 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.340 8.200 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.297 6.549 8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.160 7.457 8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.039 5.719 9.344 1.00 0.00 H new ATOM 204 N LEU A 15 -2.338 4.242 5.736 1.00 0.00 N ATOM 205 CA LEU A 15 -2.770 3.640 4.482 1.00 0.00 C ATOM 206 C LEU A 15 -4.239 3.285 4.508 1.00 0.00 C ATOM 207 O LEU A 15 -4.943 3.505 3.525 1.00 0.00 O ATOM 208 CB LEU A 15 -1.958 2.412 4.028 1.00 0.00 C ATOM 209 CG LEU A 15 -1.410 1.414 5.062 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.244 0.028 4.429 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.036 1.896 5.535 1.00 0.00 C ATOM 0 H LEU A 15 -1.898 3.588 6.384 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.583 4.421 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.586 1.848 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.107 2.782 3.456 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.108 1.350 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.855 -0.668 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.210 -0.326 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.548 0.091 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.362 1.196 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.642 1.954 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.133 2.882 5.990 1.00 0.00 H new ATOM 223 N LEU A 16 -4.719 2.691 5.596 1.00 0.00 N ATOM 224 CA LEU A 16 -6.116 2.270 5.691 1.00 0.00 C ATOM 225 C LEU A 16 -7.048 3.453 5.457 1.00 0.00 C ATOM 226 O LEU A 16 -8.042 3.337 4.743 1.00 0.00 O ATOM 227 CB LEU A 16 -6.399 1.698 7.079 1.00 0.00 C ATOM 228 CG LEU A 16 -5.916 0.278 7.396 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.555 -0.718 6.429 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.395 0.143 7.435 1.00 0.00 C ATOM 0 H LEU A 16 -4.162 2.489 6.426 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.291 1.509 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.954 2.371 7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.477 1.724 7.235 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.243 0.046 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.207 -1.725 6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.640 -0.677 6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.275 -0.464 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.127 -0.888 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.980 0.418 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.991 0.803 8.203 1.00 0.00 H new ATOM 242 N SER A 17 -6.725 4.595 6.059 1.00 0.00 N ATOM 243 CA SER A 17 -7.524 5.809 6.001 1.00 0.00 C ATOM 244 C SER A 17 -7.723 6.294 4.561 1.00 0.00 C ATOM 245 O SER A 17 -8.749 6.907 4.287 1.00 0.00 O ATOM 246 CB SER A 17 -6.888 6.894 6.888 1.00 0.00 C ATOM 247 OG SER A 17 -7.843 7.863 7.290 1.00 0.00 O ATOM 0 H SER A 17 -5.876 4.701 6.615 1.00 0.00 H new ATOM 0 HA SER A 17 -8.519 5.586 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.445 6.431 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.080 7.382 6.344 1.00 0.00 H new ATOM 0 HG SER A 17 -7.408 8.537 7.853 1.00 0.00 H new ATOM 253 N VAL A 18 -6.821 5.988 3.622 1.00 0.00 N ATOM 254 CA VAL A 18 -7.028 6.344 2.221 1.00 0.00 C ATOM 255 C VAL A 18 -8.242 5.597 1.668 1.00 0.00 C ATOM 256 O VAL A 18 -9.014 6.183 0.913 1.00 0.00 O ATOM 257 CB VAL A 18 -5.767 6.044 1.379 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.855 6.744 0.017 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.464 6.495 2.053 1.00 0.00 C ATOM 0 H VAL A 18 -5.946 5.497 3.809 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.217 7.416 2.160 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.739 4.960 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.960 6.523 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.734 6.386 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.934 7.821 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.619 6.254 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.496 7.571 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.351 5.980 3.007 1.00 0.00 H new ATOM 269 N LEU A 19 -8.444 4.323 2.033 1.00 0.00 N ATOM 270 CA LEU A 19 -9.566 3.567 1.479 1.00 0.00 C ATOM 271 C LEU A 19 -10.831 3.846 2.288 1.00 0.00 C ATOM 272 O LEU A 19 -11.913 4.004 1.718 1.00 0.00 O ATOM 273 CB LEU A 19 -9.283 2.057 1.438 1.00 0.00 C ATOM 274 CG LEU A 19 -8.050 1.550 0.675 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.711 2.363 -0.580 1.00 0.00 C ATOM 276 CD2 LEU A 19 -6.855 1.434 1.611 1.00 0.00 C ATOM 0 H LEU A 19 -7.860 3.809 2.692 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.710 3.897 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.198 1.710 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.159 1.570 1.009 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.307 0.558 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.829 1.940 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.552 2.330 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.511 3.397 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.990 1.073 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.630 2.412 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.088 0.734 2.413 1.00 0.00 H new ATOM 288 N GLN A 20 -10.676 3.915 3.612 1.00 0.00 N ATOM 289 CA GLN A 20 -11.736 4.177 4.575 1.00 0.00 C ATOM 290 C GLN A 20 -12.256 5.615 4.474 1.00 0.00 C ATOM 291 O GLN A 20 -13.338 5.894 4.984 1.00 0.00 O ATOM 292 CB GLN A 20 -11.216 3.897 5.992 1.00 0.00 C ATOM 293 CG GLN A 20 -10.841 2.419 6.200 1.00 0.00 C ATOM 294 CD GLN A 20 -10.287 2.113 7.591 1.00 0.00 C ATOM 295 OE1 GLN A 20 -9.460 2.976 8.161 1.00 0.00 O flip ATOM 296 NE2 GLN A 20 -10.566 1.064 8.165 1.00 0.00 N flip ATOM 0 H GLN A 20 -9.767 3.783 4.056 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.572 3.515 4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.343 4.521 6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.978 4.181 6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.723 1.802 6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.100 2.133 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.203 0.397 7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.161 0.859 9.079 1.00 0.00 H new ATOM 305 N GLN A 21 -11.536 6.524 3.802 1.00 0.00 N ATOM 306 CA GLN A 21 -12.040 7.848 3.473 1.00 0.00 C ATOM 307 C GLN A 21 -13.340 7.718 2.691 1.00 0.00 C ATOM 308 O GLN A 21 -14.230 8.549 2.862 1.00 0.00 O ATOM 309 CB GLN A 21 -11.028 8.633 2.626 1.00 0.00 C ATOM 310 CG GLN A 21 -10.404 9.794 3.379 1.00 0.00 C ATOM 311 CD GLN A 21 -9.416 10.535 2.487 1.00 0.00 C ATOM 312 OE1 GLN A 21 -9.686 10.870 1.334 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.239 10.806 3.008 1.00 0.00 N ATOM 0 H GLN A 21 -10.585 6.353 3.474 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.209 8.387 4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.240 7.958 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.525 9.011 1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.183 10.478 3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.895 9.426 4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.027 10.523 3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.538 11.299 2.455 1.00 0.00 H new ATOM 322 N LEU A 22 -13.421 6.706 1.821 1.00 0.00 N ATOM 323 CA LEU A 22 -14.489 6.618 0.850 1.00 0.00 C ATOM 324 C LEU A 22 -15.583 5.716 1.403 1.00 0.00 C ATOM 325 O LEU A 22 -16.530 6.209 2.006 1.00 0.00 O ATOM 326 CB LEU A 22 -13.949 6.154 -0.518 1.00 0.00 C ATOM 327 CG LEU A 22 -13.022 7.148 -1.238 1.00 0.00 C ATOM 328 CD1 LEU A 22 -13.548 8.571 -1.304 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.589 7.166 -0.712 1.00 0.00 C ATOM 0 H LEU A 22 -12.751 5.938 1.779 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.926 7.601 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.409 5.218 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.796 5.938 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 22 -13.008 6.749 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.829 9.201 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -14.498 8.583 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.694 8.952 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.004 7.894 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.592 7.441 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.146 6.177 -0.828 1.00 0.00 H new ATOM 341 N ARG A 23 -15.452 4.399 1.196 1.00 0.00 N ATOM 342 CA ARG A 23 -16.504 3.388 1.399 1.00 0.00 C ATOM 343 C ARG A 23 -16.056 1.987 0.958 1.00 0.00 C ATOM 344 O ARG A 23 -16.862 1.202 0.448 1.00 0.00 O ATOM 345 CB ARG A 23 -17.877 3.804 0.811 1.00 0.00 C ATOM 346 CG ARG A 23 -17.854 4.498 -0.523 1.00 0.00 C ATOM 347 CD ARG A 23 -17.096 3.645 -1.509 1.00 0.00 C ATOM 348 NE ARG A 23 -17.859 2.525 -2.071 1.00 0.00 N ATOM 349 CZ ARG A 23 -18.595 2.549 -3.185 1.00 0.00 C ATOM 350 NH1 ARG A 23 -18.787 3.683 -3.849 1.00 0.00 N ATOM 351 NH2 ARG A 23 -19.125 1.420 -3.632 1.00 0.00 N ATOM 0 H ARG A 23 -14.576 3.990 0.870 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.665 3.331 2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.494 2.910 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -18.371 4.460 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -18.871 4.668 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.381 5.476 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.753 4.279 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.207 3.250 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.824 1.642 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.370 4.550 -3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.351 3.687 -4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.969 0.548 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.689 1.423 -4.482 1.00 0.00 H new ATOM 365 N VAL A 24 -14.746 1.736 1.018 1.00 0.00 N ATOM 366 CA VAL A 24 -14.122 0.508 0.533 1.00 0.00 C ATOM 367 C VAL A 24 -14.848 -0.715 1.093 1.00 0.00 C ATOM 368 O VAL A 24 -15.342 -0.717 2.225 1.00 0.00 O ATOM 369 CB VAL A 24 -12.616 0.486 0.877 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.365 0.588 2.383 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.869 -0.731 0.301 1.00 0.00 C ATOM 0 H VAL A 24 -14.077 2.397 1.414 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.208 0.477 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.209 1.373 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.292 0.568 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.784 1.521 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.840 -0.253 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.817 -0.679 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.306 -1.647 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.954 -0.729 -0.786 1.00 0.00 H new ATOM 381 N GLU A 25 -14.854 -1.772 0.295 1.00 0.00 N ATOM 382 CA GLU A 25 -15.424 -3.043 0.676 1.00 0.00 C ATOM 383 C GLU A 25 -14.292 -3.926 1.171 1.00 0.00 C ATOM 384 O GLU A 25 -13.421 -4.315 0.397 1.00 0.00 O ATOM 385 CB GLU A 25 -16.230 -3.629 -0.490 1.00 0.00 C ATOM 386 CG GLU A 25 -17.406 -2.670 -0.736 1.00 0.00 C ATOM 387 CD GLU A 25 -18.466 -3.236 -1.674 1.00 0.00 C ATOM 388 OE1 GLU A 25 -18.282 -3.126 -2.903 1.00 0.00 O ATOM 389 OE2 GLU A 25 -19.513 -3.728 -1.186 1.00 0.00 O ATOM 0 H GLU A 25 -14.457 -1.765 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.141 -2.946 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.611 -3.720 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.590 -4.629 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.871 -2.425 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.024 -1.738 -1.153 1.00 0.00 H new ATOM 396 N SER A 26 -14.319 -4.221 2.471 1.00 0.00 N ATOM 397 CA SER A 26 -13.521 -5.248 3.128 1.00 0.00 C ATOM 398 C SER A 26 -13.645 -6.572 2.358 1.00 0.00 C ATOM 399 O SER A 26 -12.660 -7.267 2.111 1.00 0.00 O ATOM 400 CB SER A 26 -14.080 -5.359 4.552 1.00 0.00 C ATOM 401 OG SER A 26 -13.494 -6.393 5.305 1.00 0.00 O ATOM 0 H SER A 26 -14.928 -3.725 3.122 1.00 0.00 H new ATOM 0 HA SER A 26 -12.459 -5.003 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.927 -4.412 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.156 -5.523 4.500 1.00 0.00 H new ATOM 0 HG SER A 26 -13.891 -6.410 6.201 1.00 0.00 H new ATOM 407 N SER A 27 -14.861 -6.922 1.923 1.00 0.00 N ATOM 408 CA SER A 27 -15.120 -8.102 1.102 1.00 0.00 C ATOM 409 C SER A 27 -14.789 -7.866 -0.383 1.00 0.00 C ATOM 410 O SER A 27 -15.515 -8.308 -1.279 1.00 0.00 O ATOM 411 CB SER A 27 -16.545 -8.594 1.352 1.00 0.00 C ATOM 412 OG SER A 27 -17.539 -7.631 1.044 1.00 0.00 O ATOM 0 H SER A 27 -15.701 -6.384 2.136 1.00 0.00 H new ATOM 0 HA SER A 27 -14.443 -8.903 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.721 -9.490 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.643 -8.883 2.398 1.00 0.00 H new ATOM 0 HG SER A 27 -18.426 -8.007 1.224 1.00 0.00 H new ATOM 418 N SER A 28 -13.698 -7.155 -0.654 1.00 0.00 N ATOM 419 CA SER A 28 -13.020 -7.125 -1.930 1.00 0.00 C ATOM 420 C SER A 28 -11.527 -7.153 -1.616 1.00 0.00 C ATOM 421 O SER A 28 -11.080 -6.588 -0.614 1.00 0.00 O ATOM 422 CB SER A 28 -13.420 -5.853 -2.690 1.00 0.00 C ATOM 423 OG SER A 28 -12.705 -5.707 -3.908 1.00 0.00 O ATOM 0 H SER A 28 -13.250 -6.562 0.044 1.00 0.00 H new ATOM 0 HA SER A 28 -13.286 -7.970 -2.565 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.489 -5.879 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.240 -4.983 -2.059 1.00 0.00 H new ATOM 0 HG SER A 28 -12.992 -4.886 -4.359 1.00 0.00 H new ATOM 429 N LYS A 29 -10.729 -7.706 -2.535 1.00 0.00 N ATOM 430 CA LYS A 29 -9.273 -7.577 -2.488 1.00 0.00 C ATOM 431 C LYS A 29 -8.805 -6.147 -2.404 1.00 0.00 C ATOM 432 O LYS A 29 -7.653 -5.926 -2.075 1.00 0.00 O ATOM 433 CB LYS A 29 -8.622 -8.224 -3.707 1.00 0.00 C ATOM 434 CG LYS A 29 -8.871 -7.452 -5.005 1.00 0.00 C ATOM 435 CD LYS A 29 -7.852 -6.414 -5.443 1.00 0.00 C ATOM 436 CE LYS A 29 -8.604 -5.245 -6.074 1.00 0.00 C ATOM 437 NZ LYS A 29 -9.488 -5.633 -7.197 1.00 0.00 N ATOM 0 H LYS A 29 -11.073 -8.251 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.969 -8.091 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.548 -8.302 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.002 -9.240 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.967 -8.181 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.834 -6.951 -4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.266 -6.073 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.152 -6.846 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.203 -4.755 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.881 -4.512 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.735 -4.789 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.995 -6.316 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.355 -6.067 -6.822 1.00 0.00 H new ATOM 451 N LEU A 30 -9.625 -5.181 -2.802 1.00 0.00 N ATOM 452 CA LEU A 30 -9.195 -3.794 -2.901 1.00 0.00 C ATOM 453 C LEU A 30 -8.606 -3.307 -1.575 1.00 0.00 C ATOM 454 O LEU A 30 -7.554 -2.669 -1.546 1.00 0.00 O ATOM 455 CB LEU A 30 -10.362 -2.925 -3.402 1.00 0.00 C ATOM 456 CG LEU A 30 -9.922 -1.594 -4.006 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.401 -0.586 -2.976 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.944 -1.846 -5.154 1.00 0.00 C ATOM 0 H LEU A 30 -10.599 -5.337 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.391 -3.710 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.925 -3.484 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.041 -2.730 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.809 -1.108 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.108 0.334 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.186 -0.367 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.538 -1.006 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.632 -0.893 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.070 -2.378 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.431 -2.447 -5.922 1.00 0.00 H new ATOM 470 N TRP A 31 -9.256 -3.666 -0.474 1.00 0.00 N ATOM 471 CA TRP A 31 -8.737 -3.458 0.865 1.00 0.00 C ATOM 472 C TRP A 31 -7.329 -4.070 1.035 1.00 0.00 C ATOM 473 O TRP A 31 -6.401 -3.410 1.505 1.00 0.00 O ATOM 474 CB TRP A 31 -9.767 -4.073 1.824 1.00 0.00 C ATOM 475 CG TRP A 31 -9.299 -4.190 3.229 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.188 -3.163 4.095 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.795 -5.372 3.912 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.633 -3.629 5.275 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.350 -4.984 5.208 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.673 -6.734 3.560 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -7.803 -5.919 6.102 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.114 -7.672 4.448 1.00 0.00 C ATOM 483 CH2 TRP A 31 -7.674 -7.265 5.718 1.00 0.00 C ATOM 0 H TRP A 31 -10.171 -4.116 -0.491 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.605 -2.397 1.078 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.672 -3.466 1.804 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -10.039 -5.064 1.460 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.484 -2.143 3.900 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.454 -3.046 6.093 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.016 -7.063 2.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.482 -5.604 7.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -8.023 -8.707 4.152 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.238 -7.983 6.397 1.00 0.00 H new ATOM 494 N ALA A 32 -7.159 -5.318 0.601 1.00 0.00 N ATOM 495 CA ALA A 32 -5.993 -6.143 0.877 1.00 0.00 C ATOM 496 C ALA A 32 -4.823 -5.736 -0.007 1.00 0.00 C ATOM 497 O ALA A 32 -3.696 -5.696 0.480 1.00 0.00 O ATOM 498 CB ALA A 32 -6.337 -7.585 0.582 1.00 0.00 C ATOM 0 H ALA A 32 -7.855 -5.795 0.028 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.711 -6.014 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.471 -8.215 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.169 -7.897 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.620 -7.684 -0.466 1.00 0.00 H new ATOM 504 N GLN A 33 -5.091 -5.360 -1.268 1.00 0.00 N ATOM 505 CA GLN A 33 -4.128 -4.782 -2.177 1.00 0.00 C ATOM 506 C GLN A 33 -3.277 -3.734 -1.485 1.00 0.00 C ATOM 507 O GLN A 33 -2.064 -3.740 -1.662 1.00 0.00 O ATOM 508 CB GLN A 33 -4.912 -4.072 -3.292 1.00 0.00 C ATOM 509 CG GLN A 33 -4.975 -4.848 -4.591 1.00 0.00 C ATOM 510 CD GLN A 33 -3.710 -4.632 -5.421 1.00 0.00 C ATOM 511 OE1 GLN A 33 -2.589 -4.727 -4.934 1.00 0.00 O ATOM 512 NE2 GLN A 33 -3.884 -4.301 -6.683 1.00 0.00 N ATOM 0 H GLN A 33 -6.018 -5.459 -1.682 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.481 -5.573 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.928 -3.883 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.454 -3.101 -3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.098 -5.910 -4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.848 -4.535 -5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.827 -4.228 -7.066 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.076 -4.117 -7.278 1.00 0.00 H new ATOM 521 N CYS A 34 -3.891 -2.847 -0.701 1.00 0.00 N ATOM 522 CA CYS A 34 -3.128 -1.725 -0.174 1.00 0.00 C ATOM 523 C CYS A 34 -2.165 -2.234 0.897 1.00 0.00 C ATOM 524 O CYS A 34 -0.965 -1.953 0.849 1.00 0.00 O ATOM 525 CB CYS A 34 -4.072 -0.642 0.345 1.00 0.00 C ATOM 526 SG CYS A 34 -3.166 0.928 0.499 1.00 0.00 S ATOM 0 H CYS A 34 -4.873 -2.881 -0.428 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.533 -1.266 -0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.915 -0.523 -0.336 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.482 -0.934 1.312 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.969 1.851 0.939 1.00 0.00 H new ATOM 532 N VAL A 35 -2.701 -3.014 1.836 1.00 0.00 N ATOM 533 CA VAL A 35 -1.950 -3.531 2.959 1.00 0.00 C ATOM 534 C VAL A 35 -0.821 -4.449 2.479 1.00 0.00 C ATOM 535 O VAL A 35 0.274 -4.386 3.037 1.00 0.00 O ATOM 536 CB VAL A 35 -2.910 -4.231 3.945 1.00 0.00 C ATOM 537 CG1 VAL A 35 -2.144 -4.613 5.212 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.103 -3.346 4.354 1.00 0.00 C ATOM 0 H VAL A 35 -3.679 -3.302 1.830 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.472 -2.709 3.492 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.303 -5.108 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.819 -5.108 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.329 -5.290 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.737 -3.715 5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.741 -3.893 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.736 -2.440 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.677 -3.077 3.467 1.00 0.00 H new ATOM 548 N GLN A 36 -1.042 -5.290 1.464 1.00 0.00 N ATOM 549 CA GLN A 36 -0.036 -6.267 1.076 1.00 0.00 C ATOM 550 C GLN A 36 1.131 -5.561 0.393 1.00 0.00 C ATOM 551 O GLN A 36 2.293 -5.858 0.677 1.00 0.00 O ATOM 552 CB GLN A 36 -0.621 -7.428 0.256 1.00 0.00 C ATOM 553 CG GLN A 36 -1.256 -7.098 -1.099 1.00 0.00 C ATOM 554 CD GLN A 36 -0.418 -7.591 -2.276 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.718 -6.968 -2.519 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.799 -8.522 -2.983 1.00 0.00 N flip ATOM 0 H GLN A 36 -1.897 -5.310 0.907 1.00 0.00 H new ATOM 0 HA GLN A 36 0.351 -6.744 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.176 -8.152 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.375 -7.923 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.248 -7.547 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.390 -6.019 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.681 -8.991 -2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.233 -8.826 -3.775 1.00 0.00 H new ATOM 565 N LEU A 37 0.820 -4.617 -0.504 1.00 0.00 N ATOM 566 CA LEU A 37 1.803 -3.865 -1.268 1.00 0.00 C ATOM 567 C LEU A 37 2.742 -3.088 -0.346 1.00 0.00 C ATOM 568 O LEU A 37 3.906 -2.919 -0.704 1.00 0.00 O ATOM 569 CB LEU A 37 1.115 -2.929 -2.264 1.00 0.00 C ATOM 570 CG LEU A 37 1.437 -3.385 -3.698 1.00 0.00 C ATOM 571 CD1 LEU A 37 0.477 -2.768 -4.694 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.871 -3.050 -4.093 1.00 0.00 C ATOM 0 H LEU A 37 -0.142 -4.355 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 37 2.406 -4.577 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.037 -2.936 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.454 -1.904 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 37 1.323 -4.469 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.728 -3.107 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.542 -3.070 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.554 -1.682 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.056 -3.389 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.022 -1.972 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.562 -3.549 -3.413 1.00 0.00 H new ATOM 584 N HIS A 38 2.262 -2.636 0.822 1.00 0.00 N ATOM 585 CA HIS A 38 3.065 -1.928 1.818 1.00 0.00 C ATOM 586 C HIS A 38 4.270 -2.766 2.233 1.00 0.00 C ATOM 587 O HIS A 38 5.391 -2.254 2.219 1.00 0.00 O ATOM 588 CB HIS A 38 2.174 -1.532 3.004 1.00 0.00 C ATOM 589 CG HIS A 38 2.895 -1.001 4.219 1.00 0.00 C ATOM 590 ND1 HIS A 38 3.441 -1.756 5.236 1.00 0.00 N ATOM 591 CD2 HIS A 38 3.048 0.320 4.550 1.00 0.00 C ATOM 592 CE1 HIS A 38 3.925 -0.902 6.152 1.00 0.00 C ATOM 593 NE2 HIS A 38 3.710 0.370 5.780 1.00 0.00 N ATOM 0 H HIS A 38 1.288 -2.756 1.101 1.00 0.00 H new ATOM 0 HA HIS A 38 3.467 -1.010 1.388 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.466 -0.775 2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.591 -2.403 3.303 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.718 1.167 3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.420 -1.198 7.065 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.978 1.209 6.295 1.00 0.00 H new ATOM 601 N ASN A 39 4.058 -4.043 2.579 1.00 0.00 N ATOM 602 CA ASN A 39 5.158 -4.889 3.033 1.00 0.00 C ATOM 603 C ASN A 39 6.228 -4.963 1.960 1.00 0.00 C ATOM 604 O ASN A 39 7.417 -4.846 2.254 1.00 0.00 O ATOM 605 CB ASN A 39 4.744 -6.332 3.367 1.00 0.00 C ATOM 606 CG ASN A 39 3.492 -6.439 4.204 1.00 0.00 C ATOM 607 OD1 ASN A 39 3.514 -6.280 5.423 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.387 -6.694 3.534 1.00 0.00 N ATOM 0 H ASN A 39 3.148 -4.503 2.553 1.00 0.00 H new ATOM 0 HA ASN A 39 5.521 -4.423 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.593 -6.879 2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.563 -6.820 3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.497 -6.768 4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.421 -6.818 2.522 1.00 0.00 H new ATOM 615 N ASP A 40 5.797 -5.179 0.719 1.00 0.00 N ATOM 616 CA ASP A 40 6.636 -5.573 -0.404 1.00 0.00 C ATOM 617 C ASP A 40 7.601 -4.456 -0.843 1.00 0.00 C ATOM 618 O ASP A 40 8.439 -4.694 -1.715 1.00 0.00 O ATOM 619 CB ASP A 40 5.731 -6.059 -1.555 1.00 0.00 C ATOM 620 CG ASP A 40 5.049 -7.408 -1.295 1.00 0.00 C ATOM 621 OD1 ASP A 40 5.613 -8.260 -0.568 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.949 -7.593 -1.870 1.00 0.00 O ATOM 0 H ASP A 40 4.815 -5.080 0.461 1.00 0.00 H new ATOM 0 HA ASP A 40 7.282 -6.393 -0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.964 -5.307 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.328 -6.136 -2.463 1.00 0.00 H new ATOM 627 N ILE A 41 7.511 -3.254 -0.259 1.00 0.00 N ATOM 628 CA ILE A 41 8.476 -2.150 -0.366 1.00 0.00 C ATOM 629 C ILE A 41 9.672 -2.449 0.557 1.00 0.00 C ATOM 630 O ILE A 41 10.828 -2.351 0.143 1.00 0.00 O ATOM 631 CB ILE A 41 7.789 -0.817 0.051 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.414 -0.627 -0.616 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.643 0.439 -0.206 1.00 0.00 C ATOM 634 CD1 ILE A 41 6.414 -0.733 -2.144 1.00 0.00 C ATOM 0 H ILE A 41 6.718 -3.011 0.335 1.00 0.00 H new ATOM 0 HA ILE A 41 8.827 -2.053 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 41 7.661 -0.919 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.727 -1.372 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.023 0.351 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.093 1.325 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.573 0.368 0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.868 0.514 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.401 -0.585 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.071 0.030 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.770 -1.720 -2.440 1.00 0.00 H new ATOM 646 N LEU A 42 9.400 -2.826 1.813 1.00 0.00 N ATOM 647 CA LEU A 42 10.414 -3.156 2.814 1.00 0.00 C ATOM 648 C LEU A 42 11.068 -4.500 2.514 1.00 0.00 C ATOM 649 O LEU A 42 12.192 -4.730 2.954 1.00 0.00 O ATOM 650 CB LEU A 42 9.808 -3.213 4.229 1.00 0.00 C ATOM 651 CG LEU A 42 8.994 -1.979 4.652 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.535 -2.101 6.107 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.802 -0.692 4.503 1.00 0.00 C ATOM 0 H LEU A 42 8.447 -2.911 2.166 1.00 0.00 H new ATOM 0 HA LEU A 42 11.164 -2.366 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.165 -4.091 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.617 -3.356 4.946 1.00 0.00 H new ATOM 0 HG LEU A 42 8.128 -1.934 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.961 -1.216 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.911 -2.988 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.406 -2.186 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.193 0.158 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.692 -0.747 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.098 -0.567 3.462 1.00 0.00 H new ATOM 665 N LEU A 43 10.373 -5.383 1.787 1.00 0.00 N ATOM 666 CA LEU A 43 10.881 -6.699 1.404 1.00 0.00 C ATOM 667 C LEU A 43 11.588 -6.652 0.041 1.00 0.00 C ATOM 668 O LEU A 43 11.972 -7.697 -0.491 1.00 0.00 O ATOM 669 CB LEU A 43 9.748 -7.748 1.361 1.00 0.00 C ATOM 670 CG LEU A 43 8.806 -7.888 2.580 1.00 0.00 C ATOM 671 CD1 LEU A 43 8.228 -9.307 2.621 1.00 0.00 C ATOM 672 CD2 LEU A 43 9.438 -7.553 3.936 1.00 0.00 C ATOM 0 H LEU A 43 9.430 -5.198 1.445 1.00 0.00 H new ATOM 0 HA LEU A 43 11.604 -6.992 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.129 -7.528 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.207 -8.721 1.187 1.00 0.00 H new ATOM 0 HG LEU A 43 8.026 -7.141 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.564 -9.405 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.667 -9.498 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.041 -10.029 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.697 -7.682 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.282 -8.219 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.785 -6.520 3.930 1.00 0.00 H new ATOM 684 N ALA A 44 11.684 -5.468 -0.575 1.00 0.00 N ATOM 685 CA ALA A 44 12.055 -5.306 -1.978 1.00 0.00 C ATOM 686 C ALA A 44 13.520 -5.644 -2.262 1.00 0.00 C ATOM 687 O ALA A 44 14.291 -6.001 -1.368 1.00 0.00 O ATOM 688 CB ALA A 44 11.732 -3.885 -2.450 1.00 0.00 C ATOM 0 H ALA A 44 11.502 -4.583 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 44 11.461 -6.025 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 44 12.013 -3.777 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.664 -3.699 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.289 -3.166 -1.849 1.00 0.00 H new ATOM 694 N LYS A 45 13.907 -5.535 -3.534 1.00 0.00 N ATOM 695 CA LYS A 45 15.294 -5.626 -3.965 1.00 0.00 C ATOM 696 C LYS A 45 15.985 -4.293 -3.668 1.00 0.00 C ATOM 697 O LYS A 45 16.525 -4.094 -2.576 1.00 0.00 O ATOM 698 CB LYS A 45 15.334 -5.968 -5.470 1.00 0.00 C ATOM 699 CG LYS A 45 14.673 -7.305 -5.840 1.00 0.00 C ATOM 700 CD LYS A 45 15.478 -8.536 -5.419 1.00 0.00 C ATOM 701 CE LYS A 45 16.803 -8.576 -6.185 1.00 0.00 C ATOM 702 NZ LYS A 45 17.236 -9.953 -6.484 1.00 0.00 N ATOM 0 H LYS A 45 13.253 -5.379 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 45 15.821 -6.415 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.842 -5.169 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.374 -5.989 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.688 -7.352 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.519 -7.336 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.668 -8.508 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.905 -9.442 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.698 -8.020 -7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.574 -8.074 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.137 -9.929 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.363 -10.478 -5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.514 -10.425 -7.065 1.00 0.00 H new ATOM 716 N ASP A 46 15.883 -3.340 -4.591 1.00 0.00 N ATOM 717 CA ASP A 46 16.644 -2.097 -4.598 1.00 0.00 C ATOM 718 C ASP A 46 15.730 -0.963 -4.171 1.00 0.00 C ATOM 719 O ASP A 46 14.536 -1.171 -3.960 1.00 0.00 O ATOM 720 CB ASP A 46 17.183 -1.769 -6.001 1.00 0.00 C ATOM 721 CG ASP A 46 17.887 -2.939 -6.691 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.983 -3.341 -6.225 1.00 0.00 O ATOM 723 OD2 ASP A 46 17.355 -3.466 -7.687 1.00 0.00 O ATOM 0 H ASP A 46 15.244 -3.417 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 46 17.487 -2.214 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.355 -1.437 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.880 -0.934 -5.924 1.00 0.00 H new ATOM 728 N THR A 47 16.262 0.255 -4.105 1.00 0.00 N ATOM 729 CA THR A 47 15.475 1.440 -3.825 1.00 0.00 C ATOM 730 C THR A 47 14.367 1.613 -4.867 1.00 0.00 C ATOM 731 O THR A 47 13.187 1.675 -4.526 1.00 0.00 O ATOM 732 CB THR A 47 16.402 2.659 -3.826 1.00 0.00 C ATOM 733 OG1 THR A 47 17.526 2.450 -2.992 1.00 0.00 O ATOM 734 CG2 THR A 47 15.585 3.861 -3.390 1.00 0.00 C ATOM 0 H THR A 47 17.255 0.442 -4.246 1.00 0.00 H new ATOM 0 HA THR A 47 15.001 1.338 -2.849 1.00 0.00 H new ATOM 0 HB THR A 47 16.800 2.832 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.101 3.243 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.219 4.748 -3.380 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.760 4.012 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.188 3.688 -2.390 1.00 0.00 H new ATOM 742 N THR A 48 14.764 1.723 -6.135 1.00 0.00 N ATOM 743 CA THR A 48 13.863 1.964 -7.246 1.00 0.00 C ATOM 744 C THR A 48 12.789 0.872 -7.258 1.00 0.00 C ATOM 745 O THR A 48 11.600 1.169 -7.229 1.00 0.00 O ATOM 746 CB THR A 48 14.702 2.137 -8.533 1.00 0.00 C ATOM 747 OG1 THR A 48 13.941 2.352 -9.707 1.00 0.00 O ATOM 748 CG2 THR A 48 15.654 0.966 -8.810 1.00 0.00 C ATOM 0 H THR A 48 15.741 1.644 -6.417 1.00 0.00 H new ATOM 0 HA THR A 48 13.302 2.894 -7.156 1.00 0.00 H new ATOM 0 HB THR A 48 15.275 3.038 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.543 2.453 -10.473 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.209 1.158 -9.728 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.352 0.860 -7.979 1.00 0.00 H new ATOM 0 HG23 THR A 48 15.078 0.047 -8.919 1.00 0.00 H new ATOM 756 N GLU A 49 13.195 -0.390 -7.141 1.00 0.00 N ATOM 757 CA GLU A 49 12.300 -1.538 -7.232 1.00 0.00 C ATOM 758 C GLU A 49 11.409 -1.645 -5.984 1.00 0.00 C ATOM 759 O GLU A 49 10.353 -2.278 -6.032 1.00 0.00 O ATOM 760 CB GLU A 49 13.195 -2.779 -7.421 1.00 0.00 C ATOM 761 CG GLU A 49 12.490 -4.131 -7.585 1.00 0.00 C ATOM 762 CD GLU A 49 11.793 -4.317 -8.928 1.00 0.00 C ATOM 763 OE1 GLU A 49 12.477 -4.410 -9.967 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.555 -4.510 -8.940 1.00 0.00 O ATOM 0 H GLU A 49 14.169 -0.646 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 49 11.613 -1.440 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.820 -2.615 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.863 -2.848 -6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.223 -4.928 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.754 -4.243 -6.789 1.00 0.00 H new ATOM 771 N ALA A 50 11.783 -1.005 -4.869 1.00 0.00 N ATOM 772 CA ALA A 50 10.903 -0.831 -3.732 1.00 0.00 C ATOM 773 C ALA A 50 9.730 0.033 -4.164 1.00 0.00 C ATOM 774 O ALA A 50 8.618 -0.479 -4.246 1.00 0.00 O ATOM 775 CB ALA A 50 11.637 -0.276 -2.505 1.00 0.00 C ATOM 0 H ALA A 50 12.709 -0.596 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 50 10.527 -1.802 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.933 -0.164 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.431 -0.964 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.069 0.695 -2.748 1.00 0.00 H new ATOM 781 N PHE A 51 9.945 1.323 -4.427 1.00 0.00 N ATOM 782 CA PHE A 51 8.814 2.218 -4.650 1.00 0.00 C ATOM 783 C PHE A 51 8.118 1.973 -5.990 1.00 0.00 C ATOM 784 O PHE A 51 6.928 2.249 -6.098 1.00 0.00 O ATOM 785 CB PHE A 51 9.184 3.688 -4.411 1.00 0.00 C ATOM 786 CG PHE A 51 9.717 4.477 -5.589 1.00 0.00 C ATOM 787 CD1 PHE A 51 10.925 4.116 -6.212 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.003 5.599 -6.052 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.366 4.819 -7.347 1.00 0.00 C ATOM 790 CE2 PHE A 51 9.478 6.337 -7.147 1.00 0.00 C ATOM 791 CZ PHE A 51 10.652 5.938 -7.805 1.00 0.00 C ATOM 0 H PHE A 51 10.865 1.760 -4.489 1.00 0.00 H new ATOM 0 HA PHE A 51 8.067 1.972 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.298 4.201 -4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.931 3.722 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.513 3.300 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.086 5.893 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.256 4.498 -7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.941 7.211 -7.483 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.006 6.491 -8.663 1.00 0.00 H new ATOM 801 N GLU A 52 8.774 1.355 -6.972 1.00 0.00 N ATOM 802 CA GLU A 52 8.168 1.052 -8.267 1.00 0.00 C ATOM 803 C GLU A 52 6.809 0.353 -8.122 1.00 0.00 C ATOM 804 O GLU A 52 5.853 0.693 -8.822 1.00 0.00 O ATOM 805 CB GLU A 52 9.154 0.261 -9.138 1.00 0.00 C ATOM 806 CG GLU A 52 10.112 1.229 -9.860 1.00 0.00 C ATOM 807 CD GLU A 52 9.520 1.694 -11.190 1.00 0.00 C ATOM 808 OE1 GLU A 52 8.626 2.573 -11.177 1.00 0.00 O ATOM 809 OE2 GLU A 52 9.949 1.169 -12.244 1.00 0.00 O ATOM 0 H GLU A 52 9.744 1.050 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 52 7.957 1.992 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.723 -0.433 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.609 -0.337 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.310 2.092 -9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.068 0.736 -10.036 1.00 0.00 H new ATOM 816 N LYS A 53 6.662 -0.551 -7.145 1.00 0.00 N ATOM 817 CA LYS A 53 5.393 -1.253 -6.987 1.00 0.00 C ATOM 818 C LYS A 53 4.350 -0.448 -6.203 1.00 0.00 C ATOM 819 O LYS A 53 3.164 -0.617 -6.469 1.00 0.00 O ATOM 820 CB LYS A 53 5.641 -2.667 -6.462 1.00 0.00 C ATOM 821 CG LYS A 53 6.179 -2.719 -5.041 1.00 0.00 C ATOM 822 CD LYS A 53 6.362 -4.169 -4.605 1.00 0.00 C ATOM 823 CE LYS A 53 7.557 -4.849 -5.286 1.00 0.00 C ATOM 824 NZ LYS A 53 8.857 -4.264 -4.896 1.00 0.00 N ATOM 0 H LYS A 53 7.386 -0.805 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 53 4.931 -1.360 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.707 -3.228 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.346 -3.170 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.131 -2.191 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.492 -2.211 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.498 -4.204 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.454 -4.729 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.554 -5.910 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.442 -4.775 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.587 -5.004 -4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.116 -3.514 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.784 -3.862 -3.940 1.00 0.00 H new ATOM 838 N MET A 54 4.732 0.460 -5.289 1.00 0.00 N ATOM 839 CA MET A 54 3.757 1.365 -4.659 1.00 0.00 C ATOM 840 C MET A 54 3.174 2.320 -5.703 1.00 0.00 C ATOM 841 O MET A 54 1.968 2.569 -5.732 1.00 0.00 O ATOM 842 CB MET A 54 4.388 2.122 -3.471 1.00 0.00 C ATOM 843 CG MET A 54 5.133 3.437 -3.764 1.00 0.00 C ATOM 844 SD MET A 54 5.626 4.426 -2.331 1.00 0.00 S ATOM 845 CE MET A 54 6.792 3.307 -1.523 1.00 0.00 C ATOM 0 H MET A 54 5.694 0.586 -4.974 1.00 0.00 H new ATOM 0 HA MET A 54 2.937 0.772 -4.254 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.595 2.340 -2.755 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.086 1.446 -2.977 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.028 3.200 -4.339 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.499 4.053 -4.401 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.074 3.714 -0.552 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.325 2.332 -1.386 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.682 3.199 -2.143 1.00 0.00 H new ATOM 855 N VAL A 55 4.017 2.770 -6.635 1.00 0.00 N ATOM 856 CA VAL A 55 3.620 3.600 -7.757 1.00 0.00 C ATOM 857 C VAL A 55 2.596 2.846 -8.622 1.00 0.00 C ATOM 858 O VAL A 55 1.713 3.472 -9.204 1.00 0.00 O ATOM 859 CB VAL A 55 4.900 4.093 -8.465 1.00 0.00 C ATOM 860 CG1 VAL A 55 4.601 4.951 -9.695 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.765 4.949 -7.511 1.00 0.00 C ATOM 0 H VAL A 55 5.015 2.559 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 55 3.089 4.503 -7.456 1.00 0.00 H new ATOM 0 HB VAL A 55 5.428 3.191 -8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.538 5.270 -10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.026 4.368 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.026 5.828 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.661 5.284 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.193 5.816 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.052 4.352 -6.646 1.00 0.00 H new ATOM 871 N SER A 56 2.613 1.512 -8.644 1.00 0.00 N ATOM 872 CA SER A 56 1.587 0.697 -9.283 1.00 0.00 C ATOM 873 C SER A 56 0.264 0.598 -8.529 1.00 0.00 C ATOM 874 O SER A 56 -0.670 0.015 -9.094 1.00 0.00 O ATOM 875 CB SER A 56 2.146 -0.699 -9.580 1.00 0.00 C ATOM 876 OG SER A 56 2.132 -0.924 -10.976 1.00 0.00 O ATOM 0 H SER A 56 3.354 0.962 -8.210 1.00 0.00 H new ATOM 0 HA SER A 56 1.335 1.218 -10.207 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.163 -0.784 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.549 -1.457 -9.072 1.00 0.00 H new ATOM 0 HG SER A 56 2.491 -1.816 -11.167 1.00 0.00 H new ATOM 882 N LEU A 57 0.095 1.198 -7.345 1.00 0.00 N ATOM 883 CA LEU A 57 -1.220 1.327 -6.737 1.00 0.00 C ATOM 884 C LEU A 57 -1.773 2.744 -6.564 1.00 0.00 C ATOM 885 O LEU A 57 -2.988 2.911 -6.543 1.00 0.00 O ATOM 886 CB LEU A 57 -1.398 0.478 -5.506 1.00 0.00 C ATOM 887 CG LEU A 57 -0.713 0.810 -4.184 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.946 2.237 -3.676 1.00 0.00 C ATOM 889 CD2 LEU A 57 -1.301 -0.158 -3.151 1.00 0.00 C ATOM 0 H LEU A 57 0.855 1.599 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.863 0.913 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.468 0.440 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.088 -0.532 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 57 0.363 0.720 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.420 2.378 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.571 2.950 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.013 2.400 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.848 0.030 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.379 -0.009 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.095 -1.184 -3.455 1.00 0.00 H new ATOM 901 N LEU A 58 -0.965 3.793 -6.464 1.00 0.00 N ATOM 902 CA LEU A 58 -1.444 5.163 -6.178 1.00 0.00 C ATOM 903 C LEU A 58 -2.358 5.778 -7.243 1.00 0.00 C ATOM 904 O LEU A 58 -2.727 6.950 -7.165 1.00 0.00 O ATOM 905 CB LEU A 58 -0.253 6.101 -5.949 1.00 0.00 C ATOM 906 CG LEU A 58 0.796 6.000 -7.064 1.00 0.00 C ATOM 907 CD1 LEU A 58 0.300 6.040 -8.500 1.00 0.00 C ATOM 908 CD2 LEU A 58 1.927 7.002 -6.850 1.00 0.00 C ATOM 0 H LEU A 58 0.047 3.729 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.055 5.057 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.611 7.128 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.214 5.864 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 58 1.163 4.979 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.148 5.959 -9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.384 5.209 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.220 6.981 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.655 6.907 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.521 8.014 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.414 6.802 -5.896 1.00 0.00 H new ATOM 920 N SER A 59 -2.679 5.015 -8.273 1.00 0.00 N ATOM 921 CA SER A 59 -3.434 5.415 -9.427 1.00 0.00 C ATOM 922 C SER A 59 -4.639 4.484 -9.557 1.00 0.00 C ATOM 923 O SER A 59 -5.769 4.962 -9.562 1.00 0.00 O ATOM 924 CB SER A 59 -2.534 5.461 -10.665 1.00 0.00 C ATOM 925 OG SER A 59 -1.986 6.753 -10.840 1.00 0.00 O ATOM 0 H SER A 59 -2.396 4.036 -8.319 1.00 0.00 H new ATOM 0 HA SER A 59 -3.818 6.429 -9.321 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.731 4.731 -10.564 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.108 5.182 -11.548 1.00 0.00 H new ATOM 0 HG SER A 59 -1.413 6.760 -11.635 1.00 0.00 H new ATOM 931 N VAL A 60 -4.420 3.165 -9.536 1.00 0.00 N ATOM 932 CA VAL A 60 -5.429 2.114 -9.690 1.00 0.00 C ATOM 933 C VAL A 60 -6.652 2.314 -8.780 1.00 0.00 C ATOM 934 O VAL A 60 -7.776 1.962 -9.134 1.00 0.00 O ATOM 935 CB VAL A 60 -4.727 0.747 -9.484 1.00 0.00 C ATOM 936 CG1 VAL A 60 -4.474 0.328 -8.042 1.00 0.00 C ATOM 937 CG2 VAL A 60 -5.475 -0.387 -10.171 1.00 0.00 C ATOM 0 H VAL A 60 -3.484 2.783 -9.404 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.848 2.155 -10.695 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.752 0.920 -9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.979 -0.643 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.838 1.067 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.423 0.260 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.948 -1.326 -10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.483 -0.457 -9.763 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.530 -0.191 -11.242 1.00 0.00 H new ATOM 947 N LEU A 61 -6.436 2.888 -7.596 1.00 0.00 N ATOM 948 CA LEU A 61 -7.438 3.099 -6.555 1.00 0.00 C ATOM 949 C LEU A 61 -8.096 4.441 -6.734 1.00 0.00 C ATOM 950 O LEU A 61 -9.304 4.583 -6.593 1.00 0.00 O ATOM 951 CB LEU A 61 -6.752 3.162 -5.199 1.00 0.00 C ATOM 952 CG LEU A 61 -5.968 1.887 -4.906 1.00 0.00 C ATOM 953 CD1 LEU A 61 -4.754 2.270 -4.093 1.00 0.00 C ATOM 954 CD2 LEU A 61 -6.900 0.885 -4.253 1.00 0.00 C ATOM 0 H LEU A 61 -5.515 3.234 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.161 2.285 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.078 4.018 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.498 3.318 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.593 1.392 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.171 1.377 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.141 2.969 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.073 2.741 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.354 -0.033 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.290 1.302 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.728 0.665 -4.927 1.00 0.00 H new ATOM 966 N LEU A 62 -7.296 5.458 -7.028 1.00 0.00 N ATOM 967 CA LEU A 62 -7.813 6.803 -7.183 1.00 0.00 C ATOM 968 C LEU A 62 -8.723 6.846 -8.388 1.00 0.00 C ATOM 969 O LEU A 62 -9.811 7.414 -8.310 1.00 0.00 O ATOM 970 CB LEU A 62 -6.638 7.769 -7.328 1.00 0.00 C ATOM 971 CG LEU A 62 -5.761 7.847 -6.058 1.00 0.00 C ATOM 972 CD1 LEU A 62 -5.133 9.231 -5.941 1.00 0.00 C ATOM 973 CD2 LEU A 62 -6.448 7.465 -4.739 1.00 0.00 C ATOM 0 H LEU A 62 -6.289 5.373 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.394 7.100 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.021 7.458 -8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.019 8.763 -7.562 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.001 7.079 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.517 9.276 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.513 9.424 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.919 9.983 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.737 7.557 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.293 8.130 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.802 6.436 -4.798 1.00 0.00 H new ATOM 985 N SER A 63 -8.372 6.076 -9.411 1.00 0.00 N ATOM 986 CA SER A 63 -9.170 5.863 -10.601 1.00 0.00 C ATOM 987 C SER A 63 -10.257 4.815 -10.339 1.00 0.00 C ATOM 988 O SER A 63 -10.818 4.238 -11.262 1.00 0.00 O ATOM 989 CB SER A 63 -8.249 5.563 -11.790 1.00 0.00 C ATOM 990 OG SER A 63 -8.451 6.540 -12.790 1.00 0.00 O ATOM 0 H SER A 63 -7.489 5.566 -9.430 1.00 0.00 H new ATOM 0 HA SER A 63 -9.716 6.767 -10.869 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.208 5.564 -11.468 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.459 4.570 -12.187 1.00 0.00 H new ATOM 0 HG SER A 63 -7.864 6.354 -13.552 1.00 0.00 H new ATOM 996 N MET A 64 -10.595 4.544 -9.076 1.00 0.00 N ATOM 997 CA MET A 64 -11.811 3.877 -8.671 1.00 0.00 C ATOM 998 C MET A 64 -12.613 4.694 -7.645 1.00 0.00 C ATOM 999 O MET A 64 -13.830 4.506 -7.602 1.00 0.00 O ATOM 1000 CB MET A 64 -11.496 2.438 -8.229 1.00 0.00 C ATOM 1001 CG MET A 64 -11.285 2.199 -6.730 1.00 0.00 C ATOM 1002 SD MET A 64 -12.770 1.584 -5.905 1.00 0.00 S ATOM 1003 CE MET A 64 -12.168 1.375 -4.222 1.00 0.00 C ATOM 0 H MET A 64 -10.000 4.797 -8.287 1.00 0.00 H new ATOM 0 HA MET A 64 -12.479 3.804 -9.529 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.311 1.796 -8.563 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.598 2.112 -8.753 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.475 1.483 -6.591 1.00 0.00 H new ATOM 0 HG3 MET A 64 -10.972 3.131 -6.258 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.535 0.431 -3.819 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.078 1.369 -4.224 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.526 2.198 -3.603 1.00 0.00 H new ATOM 1013 N GLN A 65 -12.001 5.617 -6.872 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.638 6.135 -5.650 1.00 0.00 C ATOM 1015 C GLN A 65 -12.531 7.633 -5.328 1.00 0.00 C ATOM 1016 O GLN A 65 -13.416 8.129 -4.628 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.132 5.332 -4.446 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.772 5.761 -3.871 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.143 4.726 -2.935 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -8.937 4.531 -2.954 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -10.898 4.020 -2.102 1.00 0.00 N ATOM 0 H GLN A 65 -11.082 6.011 -7.071 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.700 6.008 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.876 5.398 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.067 4.283 -4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.085 5.957 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.896 6.699 -3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.906 4.172 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.470 3.326 -1.489 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.509 8.352 -5.802 1.00 0.00 N ATOM 1031 CA GLY A 66 -11.364 9.763 -5.460 1.00 0.00 C ATOM 1032 C GLY A 66 -10.808 10.023 -4.054 1.00 0.00 C ATOM 1033 O GLY A 66 -11.441 10.762 -3.297 1.00 0.00 O ATOM 0 H GLY A 66 -10.781 7.984 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.706 10.235 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.337 10.247 -5.547 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.659 9.441 -3.678 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.977 9.709 -2.401 1.00 0.00 C ATOM 1039 C ALA A 67 -7.871 10.768 -2.557 1.00 0.00 C ATOM 1040 O ALA A 67 -7.476 11.084 -3.679 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.354 8.419 -1.844 1.00 0.00 C ATOM 0 H ALA A 67 -9.170 8.761 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.730 10.089 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.854 8.635 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.137 7.679 -1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.629 8.028 -2.558 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.304 11.236 -1.435 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.223 12.239 -1.408 1.00 0.00 C ATOM 1049 C VAL A 68 -4.949 11.745 -0.715 1.00 0.00 C ATOM 1050 O VAL A 68 -3.842 12.064 -1.143 1.00 0.00 O ATOM 1051 CB VAL A 68 -6.707 13.553 -0.755 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -7.615 14.311 -1.722 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -7.439 13.347 0.583 1.00 0.00 C ATOM 0 H VAL A 68 -7.586 10.925 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.962 12.424 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.810 14.132 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.952 15.236 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.063 14.544 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.479 13.694 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.749 14.313 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.317 12.721 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.770 12.860 1.293 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.067 10.944 0.348 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.965 10.619 1.274 1.00 0.00 C ATOM 1065 C ASP A 69 -2.987 9.596 0.693 1.00 0.00 C ATOM 1066 O ASP A 69 -2.152 9.032 1.399 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.549 10.182 2.633 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.998 11.343 3.515 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.691 12.507 3.179 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -5.690 11.067 4.517 1.00 0.00 O ATOM 0 H ASP A 69 -5.946 10.492 0.599 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.368 11.518 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.399 9.522 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.799 9.600 3.169 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.037 9.378 -0.617 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.366 8.294 -1.305 1.00 0.00 C ATOM 1077 C ILE A 70 -0.849 8.417 -1.178 1.00 0.00 C ATOM 1078 O ILE A 70 -0.133 7.417 -1.148 1.00 0.00 O ATOM 1079 CB ILE A 70 -2.902 8.260 -2.755 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.726 6.906 -3.455 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.273 9.351 -3.641 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.511 5.744 -2.832 1.00 0.00 C ATOM 0 H ILE A 70 -3.568 9.978 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.586 7.328 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.970 8.446 -2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.029 7.011 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.667 6.650 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.684 9.283 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.497 10.333 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.193 9.211 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.321 4.832 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.194 5.603 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.577 5.970 -2.857 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.361 9.650 -1.058 1.00 0.00 N ATOM 1095 CA ASN A 71 1.051 9.967 -0.971 1.00 0.00 C ATOM 1096 C ASN A 71 1.561 9.983 0.470 1.00 0.00 C ATOM 1097 O ASN A 71 2.766 10.100 0.664 1.00 0.00 O ATOM 1098 CB ASN A 71 1.305 11.295 -1.703 1.00 0.00 C ATOM 1099 CG ASN A 71 1.230 11.222 -3.234 1.00 0.00 C ATOM 1100 OD1 ASN A 71 1.178 10.052 -3.850 1.00 0.00 O flip ATOM 1101 ND2 ASN A 71 1.184 12.255 -3.894 1.00 0.00 N flip ATOM 0 H ASN A 71 -0.959 10.475 -1.018 1.00 0.00 H new ATOM 0 HA ASN A 71 1.623 9.178 -1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.578 12.028 -1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.291 11.664 -1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.223 13.161 -3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.106 12.208 -4.910 1.00 0.00 H new ATOM 1108 N ARG A 72 0.699 9.859 1.489 1.00 0.00 N ATOM 1109 CA ARG A 72 1.162 9.804 2.885 1.00 0.00 C ATOM 1110 C ARG A 72 1.920 8.504 3.125 1.00 0.00 C ATOM 1111 O ARG A 72 3.102 8.538 3.447 1.00 0.00 O ATOM 1112 CB ARG A 72 0.017 9.940 3.912 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.398 11.380 4.222 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.294 11.981 3.140 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.110 13.430 3.001 1.00 0.00 N ATOM 1116 CZ ARG A 72 -0.052 14.036 2.447 1.00 0.00 C ATOM 1117 NH1 ARG A 72 0.952 13.311 1.968 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -0.019 15.358 2.372 1.00 0.00 N ATOM 0 H ARG A 72 -0.313 9.795 1.376 1.00 0.00 H new ATOM 0 HA ARG A 72 1.820 10.661 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.852 9.398 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.321 9.456 4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.922 11.405 5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.495 11.996 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.081 11.498 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.337 11.771 3.378 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.854 14.029 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.917 12.293 2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.758 13.772 1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.797 15.909 2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.784 15.825 1.951 1.00 0.00 H new ATOM 1132 N LEU A 73 1.257 7.361 2.909 1.00 0.00 N ATOM 1133 CA LEU A 73 1.871 6.056 3.153 1.00 0.00 C ATOM 1134 C LEU A 73 3.123 5.845 2.289 1.00 0.00 C ATOM 1135 O LEU A 73 3.951 5.020 2.658 1.00 0.00 O ATOM 1136 CB LEU A 73 0.872 4.897 2.946 1.00 0.00 C ATOM 1137 CG LEU A 73 0.316 4.784 1.505 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.220 3.337 1.001 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.072 5.424 1.428 1.00 0.00 C ATOM 0 H LEU A 73 0.297 7.317 2.566 1.00 0.00 H new ATOM 0 HA LEU A 73 2.176 6.051 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.362 3.959 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.038 5.024 3.636 1.00 0.00 H new ATOM 0 HG LEU A 73 1.025 5.308 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.177 3.331 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.211 2.884 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.443 2.768 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.455 5.340 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.747 4.912 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.003 6.476 1.704 1.00 0.00 H new ATOM 1151 N CYS A 74 3.264 6.557 1.160 1.00 0.00 N ATOM 1152 CA CYS A 74 4.445 6.490 0.308 1.00 0.00 C ATOM 1153 C CYS A 74 5.678 6.870 1.118 1.00 0.00 C ATOM 1154 O CYS A 74 6.610 6.073 1.240 1.00 0.00 O ATOM 1155 CB CYS A 74 4.303 7.410 -0.912 1.00 0.00 C ATOM 1156 SG CYS A 74 2.952 6.900 -2.015 1.00 0.00 S ATOM 0 H CYS A 74 2.550 7.199 0.816 1.00 0.00 H new ATOM 0 HA CYS A 74 4.551 5.469 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.126 8.431 -0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.240 7.416 -1.469 1.00 0.00 H new ATOM 0 HG CYS A 74 1.810 7.123 -1.434 1.00 0.00 H new ATOM 1162 N GLU A 75 5.646 8.076 1.689 1.00 0.00 N ATOM 1163 CA GLU A 75 6.753 8.662 2.424 1.00 0.00 C ATOM 1164 C GLU A 75 7.057 7.901 3.714 1.00 0.00 C ATOM 1165 O GLU A 75 8.163 8.033 4.237 1.00 0.00 O ATOM 1166 CB GLU A 75 6.458 10.140 2.722 1.00 0.00 C ATOM 1167 CG GLU A 75 6.452 10.977 1.439 1.00 0.00 C ATOM 1168 CD GLU A 75 6.652 12.463 1.736 1.00 0.00 C ATOM 1169 OE1 GLU A 75 5.639 13.185 1.947 1.00 0.00 O ATOM 1170 OE2 GLU A 75 7.813 12.919 1.664 1.00 0.00 O ATOM 0 H GLU A 75 4.826 8.682 1.648 1.00 0.00 H new ATOM 0 HA GLU A 75 7.642 8.591 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.492 10.227 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.208 10.531 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.242 10.629 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.507 10.834 0.915 1.00 0.00 H new ATOM 1177 N GLU A 76 6.113 7.102 4.219 1.00 0.00 N ATOM 1178 CA GLU A 76 6.345 6.163 5.304 1.00 0.00 C ATOM 1179 C GLU A 76 7.188 4.984 4.805 1.00 0.00 C ATOM 1180 O GLU A 76 8.317 4.793 5.254 1.00 0.00 O ATOM 1181 CB GLU A 76 5.004 5.681 5.881 1.00 0.00 C ATOM 1182 CG GLU A 76 5.199 4.680 7.031 1.00 0.00 C ATOM 1183 CD GLU A 76 4.933 5.331 8.381 1.00 0.00 C ATOM 1184 OE1 GLU A 76 5.810 6.105 8.840 1.00 0.00 O ATOM 1185 OE2 GLU A 76 3.850 5.061 8.946 1.00 0.00 O ATOM 0 H GLU A 76 5.153 7.094 3.875 1.00 0.00 H new ATOM 0 HA GLU A 76 6.896 6.662 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.434 6.538 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.416 5.215 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.528 3.832 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.216 4.289 7.007 1.00 0.00 H new ATOM 1192 N MET A 77 6.627 4.140 3.936 1.00 0.00 N ATOM 1193 CA MET A 77 7.184 2.813 3.677 1.00 0.00 C ATOM 1194 C MET A 77 8.435 2.849 2.803 1.00 0.00 C ATOM 1195 O MET A 77 9.206 1.894 2.826 1.00 0.00 O ATOM 1196 CB MET A 77 6.099 1.884 3.132 1.00 0.00 C ATOM 1197 CG MET A 77 5.560 2.333 1.778 1.00 0.00 C ATOM 1198 SD MET A 77 3.938 1.644 1.388 1.00 0.00 S ATOM 1199 CE MET A 77 3.495 2.817 0.096 1.00 0.00 C ATOM 0 H MET A 77 5.786 4.354 3.400 1.00 0.00 H new ATOM 0 HA MET A 77 7.527 2.404 4.628 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.503 0.876 3.041 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.277 1.835 3.846 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.498 3.421 1.763 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.266 2.043 1.000 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.733 2.378 -0.548 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.105 3.728 0.550 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.378 3.056 -0.497 1.00 0.00 H new ATOM 1209 N LEU A 78 8.684 3.935 2.070 1.00 0.00 N ATOM 1210 CA LEU A 78 10.008 4.187 1.523 1.00 0.00 C ATOM 1211 C LEU A 78 10.972 4.439 2.664 1.00 0.00 C ATOM 1212 O LEU A 78 12.026 3.815 2.736 1.00 0.00 O ATOM 1213 CB LEU A 78 9.973 5.415 0.608 1.00 0.00 C ATOM 1214 CG LEU A 78 10.005 5.021 -0.868 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.355 6.153 -1.661 1.00 0.00 C ATOM 1216 CD2 LEU A 78 11.453 4.723 -1.282 1.00 0.00 C ATOM 0 H LEU A 78 7.989 4.647 1.845 1.00 0.00 H new ATOM 0 HA LEU A 78 10.331 3.322 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.072 5.994 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.823 6.059 0.831 1.00 0.00 H new ATOM 0 HG LEU A 78 9.442 4.109 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.361 5.904 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.327 6.288 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.913 7.076 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.480 4.441 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.066 5.611 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.843 3.904 -0.677 1.00 0.00 H new ATOM 1228 N ASP A 79 10.630 5.363 3.557 1.00 0.00 N ATOM 1229 CA ASP A 79 11.554 5.775 4.601 1.00 0.00 C ATOM 1230 C ASP A 79 11.919 4.603 5.500 1.00 0.00 C ATOM 1231 O ASP A 79 13.078 4.402 5.845 1.00 0.00 O ATOM 1232 CB ASP A 79 10.964 6.905 5.436 1.00 0.00 C ATOM 1233 CG ASP A 79 12.096 7.500 6.260 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.843 8.317 5.685 1.00 0.00 O ATOM 1235 OD2 ASP A 79 12.269 7.103 7.437 1.00 0.00 O ATOM 0 H ASP A 79 9.726 5.836 3.577 1.00 0.00 H new ATOM 0 HA ASP A 79 12.460 6.136 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.517 7.664 4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.173 6.530 6.085 1.00 0.00 H new ATOM 1240 N ASN A 80 10.934 3.760 5.802 1.00 0.00 N ATOM 1241 CA ASN A 80 11.106 2.606 6.675 1.00 0.00 C ATOM 1242 C ASN A 80 12.082 1.585 6.084 1.00 0.00 C ATOM 1243 O ASN A 80 12.610 0.790 6.862 1.00 0.00 O ATOM 1244 CB ASN A 80 9.755 1.958 7.019 1.00 0.00 C ATOM 1245 CG ASN A 80 9.037 2.685 8.155 1.00 0.00 C ATOM 1246 OD1 ASN A 80 8.894 2.186 9.273 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.589 3.899 7.906 1.00 0.00 N ATOM 0 H ASN A 80 9.985 3.862 5.443 1.00 0.00 H new ATOM 0 HA ASN A 80 11.545 2.968 7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.120 1.955 6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.915 0.917 7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.121 4.431 8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.710 4.307 6.979 1.00 0.00 H new ATOM 1254 N ARG A 81 12.382 1.590 4.771 1.00 0.00 N ATOM 1255 CA ARG A 81 13.519 0.821 4.258 1.00 0.00 C ATOM 1256 C ARG A 81 14.797 1.652 4.279 1.00 0.00 C ATOM 1257 O ARG A 81 15.839 1.113 4.652 1.00 0.00 O ATOM 1258 CB ARG A 81 13.255 0.160 2.897 1.00 0.00 C ATOM 1259 CG ARG A 81 13.089 1.027 1.647 1.00 0.00 C ATOM 1260 CD ARG A 81 14.064 0.660 0.521 1.00 0.00 C ATOM 1261 NE ARG A 81 13.979 -0.756 0.109 1.00 0.00 N ATOM 1262 CZ ARG A 81 14.921 -1.437 -0.563 1.00 0.00 C ATOM 1263 NH1 ARG A 81 16.055 -0.867 -0.961 1.00 0.00 N ATOM 1264 NH2 ARG A 81 14.751 -2.723 -0.827 1.00 0.00 N ATOM 0 H ARG A 81 11.862 2.108 4.063 1.00 0.00 H new ATOM 0 HA ARG A 81 13.662 -0.016 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.077 -0.530 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.351 -0.441 2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.067 0.931 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.233 2.073 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.865 1.294 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.082 0.875 0.847 1.00 0.00 H new ATOM 0 HE ARG A 81 13.129 -1.262 0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.230 0.117 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.750 -1.414 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.903 -3.199 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.468 -3.238 -1.338 1.00 0.00 H new ATOM 1278 N ALA A 82 14.726 2.924 3.886 1.00 0.00 N ATOM 1279 CA ALA A 82 15.864 3.825 3.734 1.00 0.00 C ATOM 1280 C ALA A 82 16.594 4.076 5.060 1.00 0.00 C ATOM 1281 O ALA A 82 17.807 4.256 5.097 1.00 0.00 O ATOM 1282 CB ALA A 82 15.344 5.148 3.161 1.00 0.00 C ATOM 0 H ALA A 82 13.838 3.371 3.656 1.00 0.00 H new ATOM 0 HA ALA A 82 16.589 3.363 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.175 5.842 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.875 4.966 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.612 5.578 3.844 1.00 0.00 H new ATOM 1288 N THR A 83 15.856 4.074 6.164 1.00 0.00 N ATOM 1289 CA THR A 83 16.322 4.479 7.482 1.00 0.00 C ATOM 1290 C THR A 83 17.381 3.502 8.017 1.00 0.00 C ATOM 1291 O THR A 83 18.264 3.890 8.786 1.00 0.00 O ATOM 1292 CB THR A 83 15.083 4.666 8.378 1.00 0.00 C ATOM 1293 OG1 THR A 83 15.334 5.495 9.483 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.510 3.342 8.877 1.00 0.00 C ATOM 0 H THR A 83 14.880 3.779 6.164 1.00 0.00 H new ATOM 0 HA THR A 83 16.847 5.434 7.453 1.00 0.00 H new ATOM 0 HB THR A 83 14.348 5.148 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 83 14.518 5.583 10.018 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.639 3.535 9.503 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.216 2.729 8.025 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.266 2.815 9.459 1.00 0.00 H new