USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 528 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 52 LYS NZ :NH3+ 179:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 62 TYR OH : rot 30:sc= 1.04 USER MOD Set 2.1: A 35 CYS SG : rot 139:sc= 1.74 USER MOD Set 2.2: A 38 CYS SG : rot 57:sc= 0.675 USER MOD Set 2.3: A 58 CYS SG : rot -138:sc= -2.53! USER MOD Set 3.1: A 8 CYS SG : rot 113:sc= -0.563! USER MOD Set 3.2: A 11 CYS SG : rot 82:sc= 0.602 USER MOD Set 3.3: A 29 HIS : no HD1:sc= -3.29! C(o=-8.4!,f=-8.3!) USER MOD Set 3.4: A 32 CYS SG : rot -91:sc= -5.17! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 69:sc= 0.0782 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0.697 (180deg=0.655) USER MOD Single : A 36 SER OG : rot -167:sc= 0.0909 USER MOD Single : A 37 SER OG : rot 164:sc= 1.34 USER MOD Single : A 39 GLN : amide:sc= 0.175 K(o=0.17,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= -0.672 X(o=-0.67,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 48 SER OG : rot 180:sc=-0.00814 USER MOD Single : A 49 SER OG : rot 53:sc= -2.85! USER MOD Single : A 50 TYR OH : rot 110:sc= -1.22! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -172:sc= -0.953 (180deg=-1.54) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 75:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.720 -2.570 -0.034 1.00 0.00 N ATOM 98 CA ARG A 7 -10.028 -3.580 0.746 1.00 0.00 C ATOM 99 C ARG A 7 -8.599 -3.141 1.055 1.00 0.00 C ATOM 100 O ARG A 7 -7.942 -2.508 0.228 1.00 0.00 O ATOM 101 CB ARG A 7 -10.059 -4.927 0.004 1.00 0.00 C ATOM 102 CG ARG A 7 -8.717 -5.384 -0.549 1.00 0.00 C ATOM 103 CD ARG A 7 -8.060 -6.431 0.340 1.00 0.00 C ATOM 104 NE ARG A 7 -8.907 -6.826 1.472 1.00 0.00 N ATOM 105 CZ ARG A 7 -8.970 -8.070 1.944 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.209 -9.021 1.419 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.795 -8.369 2.942 1.00 0.00 N ATOM 0 HA ARG A 7 -10.541 -3.706 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.435 -5.691 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.770 -4.856 -0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.858 -5.794 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.054 -4.525 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.824 -7.312 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.115 -6.040 0.718 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.478 -6.110 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.574 -8.801 0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.259 -9.973 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.385 -7.644 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.839 -9.323 3.299 1.00 0.00 H new ATOM 121 N CYS A 8 -8.162 -3.422 2.277 1.00 0.00 N ATOM 122 CA CYS A 8 -6.841 -3.034 2.747 1.00 0.00 C ATOM 123 C CYS A 8 -5.812 -4.123 2.440 1.00 0.00 C ATOM 124 O CYS A 8 -6.120 -5.314 2.490 1.00 0.00 O ATOM 125 CB CYS A 8 -6.908 -2.745 4.254 1.00 0.00 C ATOM 126 SG CYS A 8 -5.506 -3.360 5.241 1.00 0.00 S ATOM 0 H CYS A 8 -8.716 -3.926 2.970 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.523 -2.132 2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.982 -1.667 4.395 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.825 -3.182 4.648 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.835 -2.353 5.716 1.00 0.00 H new ATOM 131 N ALA A 9 -4.612 -3.706 2.055 1.00 0.00 N ATOM 132 CA ALA A 9 -3.559 -4.641 1.685 1.00 0.00 C ATOM 133 C ALA A 9 -2.538 -4.811 2.808 1.00 0.00 C ATOM 134 O ALA A 9 -1.514 -5.470 2.631 1.00 0.00 O ATOM 135 CB ALA A 9 -2.868 -4.181 0.408 1.00 0.00 C ATOM 0 H ALA A 9 -4.344 -2.724 1.991 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.024 -5.611 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.083 -4.890 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.597 -4.128 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.429 -3.196 0.566 1.00 0.00 H new ATOM 141 N GLY A 10 -2.831 -4.240 3.968 1.00 0.00 N ATOM 142 CA GLY A 10 -1.933 -4.372 5.099 1.00 0.00 C ATOM 143 C GLY A 10 -2.506 -5.272 6.172 1.00 0.00 C ATOM 144 O GLY A 10 -2.120 -6.434 6.282 1.00 0.00 O ATOM 0 H GLY A 10 -3.671 -3.690 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.978 -4.774 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.732 -3.387 5.520 1.00 0.00 H new ATOM 148 N CYS A 11 -3.552 -4.797 6.831 1.00 0.00 N ATOM 149 CA CYS A 11 -4.310 -5.629 7.745 1.00 0.00 C ATOM 150 C CYS A 11 -5.417 -6.423 7.052 1.00 0.00 C ATOM 151 O CYS A 11 -5.954 -7.372 7.626 1.00 0.00 O ATOM 152 CB CYS A 11 -4.832 -4.848 8.964 1.00 0.00 C ATOM 153 SG CYS A 11 -4.653 -3.017 8.971 1.00 0.00 S ATOM 0 H CYS A 11 -3.893 -3.839 6.748 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.602 -6.365 8.127 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.891 -5.079 9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.325 -5.235 9.848 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.616 -2.484 8.280 1.00 0.00 H new ATOM 158 N GLY A 12 -5.640 -6.135 5.784 1.00 0.00 N ATOM 159 CA GLY A 12 -6.555 -6.921 4.984 1.00 0.00 C ATOM 160 C GLY A 12 -7.976 -6.880 5.492 1.00 0.00 C ATOM 161 O GLY A 12 -8.571 -7.922 5.765 1.00 0.00 O ATOM 0 H GLY A 12 -5.199 -5.361 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.533 -6.558 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.213 -7.956 4.964 1.00 0.00 H new ATOM 165 N GLY A 13 -8.549 -5.691 5.559 1.00 0.00 N ATOM 166 CA GLY A 13 -9.915 -5.566 5.957 1.00 0.00 C ATOM 167 C GLY A 13 -10.678 -4.668 5.020 1.00 0.00 C ATOM 168 O GLY A 13 -10.248 -4.415 3.892 1.00 0.00 O ATOM 0 H GLY A 13 -8.082 -4.811 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.381 -6.551 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.966 -5.166 6.970 1.00 0.00 H new ATOM 172 N LYS A 14 -11.793 -4.183 5.502 1.00 0.00 N ATOM 173 CA LYS A 14 -12.651 -3.290 4.741 1.00 0.00 C ATOM 174 C LYS A 14 -12.450 -1.851 5.191 1.00 0.00 C ATOM 175 O LYS A 14 -12.720 -1.504 6.341 1.00 0.00 O ATOM 176 CB LYS A 14 -14.121 -3.691 4.907 1.00 0.00 C ATOM 177 CG LYS A 14 -15.086 -2.806 4.133 1.00 0.00 C ATOM 178 CD LYS A 14 -16.343 -3.563 3.738 1.00 0.00 C ATOM 179 CE LYS A 14 -17.332 -2.664 3.011 1.00 0.00 C ATOM 180 NZ LYS A 14 -18.737 -2.949 3.406 1.00 0.00 N ATOM 0 H LYS A 14 -12.140 -4.393 6.438 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.382 -3.370 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.246 -4.723 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.380 -3.658 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.356 -1.942 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.594 -2.425 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.076 -4.404 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.814 -3.978 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.099 -1.621 3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.223 -2.800 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.379 -2.315 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.968 -3.937 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.848 -2.794 4.428 1.00 0.00 H new ATOM 194 N ILE A 15 -12.005 -1.012 4.275 1.00 0.00 N ATOM 195 CA ILE A 15 -11.809 0.397 4.561 1.00 0.00 C ATOM 196 C ILE A 15 -13.003 1.208 4.081 1.00 0.00 C ATOM 197 O ILE A 15 -13.015 1.716 2.961 1.00 0.00 O ATOM 198 CB ILE A 15 -10.536 0.947 3.892 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.615 -0.199 3.463 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.815 1.903 4.833 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.593 0.212 2.434 1.00 0.00 C ATOM 0 H ILE A 15 -11.771 -1.284 3.320 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.703 0.489 5.642 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.823 1.500 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.100 -0.590 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.220 -1.011 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.917 2.284 4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.474 2.735 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.537 1.375 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.973 -0.646 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.102 0.576 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.964 1.003 2.842 1.00 0.00 H new ATOM 212 N ALA A 16 -13.965 1.400 4.965 1.00 0.00 N ATOM 213 CA ALA A 16 -15.122 2.230 4.662 1.00 0.00 C ATOM 214 C ALA A 16 -14.890 3.638 5.186 1.00 0.00 C ATOM 215 O ALA A 16 -15.825 4.350 5.557 1.00 0.00 O ATOM 216 CB ALA A 16 -16.380 1.627 5.266 1.00 0.00 C ATOM 0 H ALA A 16 -13.970 0.993 5.900 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.258 2.276 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.236 2.259 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.540 0.631 4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.267 1.558 6.348 1.00 0.00 H new ATOM 222 N ASP A 17 -13.621 4.002 5.261 1.00 0.00 N ATOM 223 CA ASP A 17 -13.215 5.290 5.790 1.00 0.00 C ATOM 224 C ASP A 17 -12.908 6.257 4.658 1.00 0.00 C ATOM 225 O ASP A 17 -12.480 5.847 3.577 1.00 0.00 O ATOM 226 CB ASP A 17 -11.977 5.131 6.681 1.00 0.00 C ATOM 227 CG ASP A 17 -12.333 4.931 8.140 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.651 3.786 8.530 1.00 0.00 O ATOM 229 OD2 ASP A 17 -12.291 5.917 8.911 1.00 0.00 O ATOM 0 H ASP A 17 -12.846 3.413 4.957 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.036 5.690 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.390 4.280 6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.346 6.015 6.582 1.00 0.00 H new ATOM 234 N ARG A 18 -13.086 7.539 4.929 1.00 0.00 N ATOM 235 CA ARG A 18 -12.757 8.580 3.965 1.00 0.00 C ATOM 236 C ARG A 18 -11.255 8.817 3.974 1.00 0.00 C ATOM 237 O ARG A 18 -10.641 9.106 2.949 1.00 0.00 O ATOM 238 CB ARG A 18 -13.488 9.877 4.324 1.00 0.00 C ATOM 239 CG ARG A 18 -13.232 11.012 3.349 1.00 0.00 C ATOM 240 CD ARG A 18 -14.526 11.713 2.969 1.00 0.00 C ATOM 241 NE ARG A 18 -14.971 11.331 1.631 1.00 0.00 N ATOM 242 CZ ARG A 18 -15.680 10.237 1.356 1.00 0.00 C ATOM 243 NH1 ARG A 18 -16.115 9.448 2.334 1.00 0.00 N ATOM 244 NH2 ARG A 18 -15.969 9.946 0.100 1.00 0.00 N ATOM 0 H ARG A 18 -13.458 7.887 5.813 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.071 8.263 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.559 9.680 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.183 10.191 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.544 11.730 3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.749 10.623 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.301 11.467 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.382 12.793 3.011 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.722 11.944 0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.907 9.678 3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.657 8.613 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.650 10.557 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.511 9.110 -0.118 1.00 0.00 H new ATOM 258 N PHE A 19 -10.679 8.663 5.154 1.00 0.00 N ATOM 259 CA PHE A 19 -9.251 8.833 5.354 1.00 0.00 C ATOM 260 C PHE A 19 -8.532 7.509 5.097 1.00 0.00 C ATOM 261 O PHE A 19 -8.510 6.643 5.973 1.00 0.00 O ATOM 262 CB PHE A 19 -8.987 9.296 6.796 1.00 0.00 C ATOM 263 CG PHE A 19 -10.138 10.030 7.447 1.00 0.00 C ATOM 264 CD1 PHE A 19 -10.536 11.271 6.989 1.00 0.00 C ATOM 265 CD2 PHE A 19 -10.815 9.476 8.522 1.00 0.00 C ATOM 266 CE1 PHE A 19 -11.582 11.950 7.574 1.00 0.00 C ATOM 267 CE2 PHE A 19 -11.867 10.150 9.116 1.00 0.00 C ATOM 268 CZ PHE A 19 -12.252 11.389 8.641 1.00 0.00 C ATOM 0 H PHE A 19 -11.190 8.416 6.002 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.875 9.584 4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.740 8.425 7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.112 9.945 6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.016 11.718 6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.518 8.509 8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.877 12.919 7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.388 9.707 9.952 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.074 11.916 9.103 1.00 0.00 H new ATOM 278 N LEU A 20 -7.983 7.320 3.892 1.00 0.00 N ATOM 279 CA LEU A 20 -7.321 6.056 3.572 1.00 0.00 C ATOM 280 C LEU A 20 -6.356 6.217 2.405 1.00 0.00 C ATOM 281 O LEU A 20 -6.442 7.182 1.653 1.00 0.00 O ATOM 282 CB LEU A 20 -8.355 4.924 3.325 1.00 0.00 C ATOM 283 CG LEU A 20 -9.137 4.899 1.988 1.00 0.00 C ATOM 284 CD1 LEU A 20 -9.445 6.293 1.463 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.392 4.082 0.943 1.00 0.00 C ATOM 0 H LEU A 20 -7.984 8.009 3.140 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.727 5.761 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.830 3.973 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.086 4.964 4.133 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.095 4.421 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.994 6.215 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.049 6.832 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.513 6.833 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.959 4.078 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.411 4.523 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.272 3.059 1.299 1.00 0.00 H new ATOM 297 N LEU A 21 -5.407 5.305 2.293 1.00 0.00 N ATOM 298 CA LEU A 21 -4.396 5.399 1.257 1.00 0.00 C ATOM 299 C LEU A 21 -4.594 4.333 0.188 1.00 0.00 C ATOM 300 O LEU A 21 -5.197 3.294 0.432 1.00 0.00 O ATOM 301 CB LEU A 21 -3.003 5.272 1.869 1.00 0.00 C ATOM 302 CG LEU A 21 -1.937 6.155 1.221 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.122 6.879 2.281 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.037 5.319 0.324 1.00 0.00 C ATOM 0 H LEU A 21 -5.316 4.494 2.905 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.494 6.375 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.063 5.518 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.684 4.232 1.800 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.434 6.907 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.369 7.502 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.781 7.506 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.631 6.149 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.282 5.959 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.548 4.547 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.636 4.851 -0.457 1.00 0.00 H new ATOM 316 N TYR A 22 -4.076 4.607 -0.997 1.00 0.00 N ATOM 317 CA TYR A 22 -4.149 3.678 -2.112 1.00 0.00 C ATOM 318 C TYR A 22 -2.772 3.548 -2.748 1.00 0.00 C ATOM 319 O TYR A 22 -2.120 4.554 -3.034 1.00 0.00 O ATOM 320 CB TYR A 22 -5.156 4.134 -3.186 1.00 0.00 C ATOM 321 CG TYR A 22 -6.309 5.006 -2.707 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.096 6.249 -2.114 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.621 4.593 -2.893 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.150 7.044 -1.712 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.684 5.390 -2.508 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.441 6.613 -1.915 1.00 0.00 C ATOM 327 OH TYR A 22 -9.495 7.415 -1.547 1.00 0.00 O ATOM 0 H TYR A 22 -3.593 5.479 -1.213 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.489 2.719 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.611 4.681 -3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.574 3.246 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.085 6.598 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.815 3.632 -3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.963 7.998 -1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.699 5.057 -2.670 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.339 6.964 -1.759 1.00 0.00 H new ATOM 337 N ALA A 23 -2.332 2.323 -2.976 1.00 0.00 N ATOM 338 CA ALA A 23 -1.045 2.083 -3.609 1.00 0.00 C ATOM 339 C ALA A 23 -1.036 0.747 -4.341 1.00 0.00 C ATOM 340 O ALA A 23 -1.499 -0.258 -3.803 1.00 0.00 O ATOM 341 CB ALA A 23 0.078 2.135 -2.581 1.00 0.00 C ATOM 0 H ALA A 23 -2.847 1.477 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.880 2.872 -4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.032 1.953 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.095 3.118 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.089 1.371 -1.821 1.00 0.00 H new ATOM 347 N MET A 24 -0.520 0.754 -5.572 1.00 0.00 N ATOM 348 CA MET A 24 -0.423 -0.452 -6.406 1.00 0.00 C ATOM 349 C MET A 24 -1.807 -0.995 -6.748 1.00 0.00 C ATOM 350 O MET A 24 -2.028 -2.210 -6.737 1.00 0.00 O ATOM 351 CB MET A 24 0.403 -1.540 -5.706 1.00 0.00 C ATOM 352 CG MET A 24 1.896 -1.262 -5.688 1.00 0.00 C ATOM 353 SD MET A 24 2.595 -1.107 -7.341 1.00 0.00 S ATOM 354 CE MET A 24 2.999 -2.815 -7.695 1.00 0.00 C ATOM 0 H MET A 24 -0.157 1.595 -6.021 1.00 0.00 H new ATOM 0 HA MET A 24 0.080 -0.170 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.051 -1.646 -4.680 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.227 -2.493 -6.204 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.084 -0.344 -5.131 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.405 -2.067 -5.157 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.443 -2.886 -8.688 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.708 -3.182 -6.953 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.092 -3.418 -7.659 1.00 0.00 H new ATOM 364 N ASP A 25 -2.755 -0.079 -6.944 1.00 0.00 N ATOM 365 CA ASP A 25 -4.156 -0.429 -7.196 1.00 0.00 C ATOM 366 C ASP A 25 -4.728 -1.247 -6.046 1.00 0.00 C ATOM 367 O ASP A 25 -5.736 -1.942 -6.191 1.00 0.00 O ATOM 368 CB ASP A 25 -4.320 -1.176 -8.522 1.00 0.00 C ATOM 369 CG ASP A 25 -4.838 -0.275 -9.626 1.00 0.00 C ATOM 370 OD1 ASP A 25 -4.016 0.362 -10.317 1.00 0.00 O ATOM 371 OD2 ASP A 25 -6.075 -0.195 -9.806 1.00 0.00 O ATOM 0 H ASP A 25 -2.576 0.925 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.717 0.503 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.361 -1.599 -8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.007 -2.011 -8.384 1.00 0.00 H new ATOM 376 N SER A 26 -4.115 -1.093 -4.884 1.00 0.00 N ATOM 377 CA SER A 26 -4.598 -1.708 -3.666 1.00 0.00 C ATOM 378 C SER A 26 -4.784 -0.632 -2.619 1.00 0.00 C ATOM 379 O SER A 26 -4.087 0.379 -2.631 1.00 0.00 O ATOM 380 CB SER A 26 -3.617 -2.771 -3.167 1.00 0.00 C ATOM 381 OG SER A 26 -2.856 -3.305 -4.237 1.00 0.00 O ATOM 0 H SER A 26 -3.268 -0.537 -4.762 1.00 0.00 H new ATOM 0 HA SER A 26 -5.550 -2.201 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.949 -2.334 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.165 -3.572 -2.671 1.00 0.00 H new ATOM 0 HG SER A 26 -2.241 -2.621 -4.574 1.00 0.00 H new ATOM 387 N TYR A 27 -5.786 -0.790 -1.790 1.00 0.00 N ATOM 388 CA TYR A 27 -6.113 0.227 -0.819 1.00 0.00 C ATOM 389 C TYR A 27 -5.596 -0.166 0.557 1.00 0.00 C ATOM 390 O TYR A 27 -5.205 -1.313 0.780 1.00 0.00 O ATOM 391 CB TYR A 27 -7.620 0.470 -0.815 1.00 0.00 C ATOM 392 CG TYR A 27 -8.219 0.512 -2.206 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.665 1.315 -3.199 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.332 -0.251 -2.528 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.207 1.356 -4.469 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.880 -0.218 -3.797 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.314 0.588 -4.763 1.00 0.00 C ATOM 398 OH TYR A 27 -9.856 0.627 -6.029 1.00 0.00 O ATOM 0 H TYR A 27 -6.389 -1.612 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.623 1.162 -1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.107 -0.317 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.829 1.412 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.797 1.916 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.778 -0.882 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.766 1.986 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.746 -0.820 -4.031 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.630 0.028 -6.072 1.00 0.00 H new ATOM 408 N TRP A 28 -5.452 0.827 1.414 1.00 0.00 N ATOM 409 CA TRP A 28 -4.856 0.652 2.727 1.00 0.00 C ATOM 410 C TRP A 28 -5.617 1.502 3.741 1.00 0.00 C ATOM 411 O TRP A 28 -6.273 2.474 3.366 1.00 0.00 O ATOM 412 CB TRP A 28 -3.374 1.085 2.722 1.00 0.00 C ATOM 413 CG TRP A 28 -2.538 0.522 1.598 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.559 0.898 0.283 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.528 -0.492 1.703 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.647 0.161 -0.435 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.999 -0.692 0.414 1.00 0.00 C ATOM 418 CE3 TRP A 28 -1.024 -1.254 2.761 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.007 -1.621 0.158 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.024 -2.172 2.507 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.482 -2.348 1.214 1.00 0.00 C ATOM 0 H TRP A 28 -5.747 1.784 1.219 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.912 -0.403 2.995 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.331 2.173 2.674 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.924 0.790 3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.199 1.663 -0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.481 0.238 -1.438 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.411 -1.127 3.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.398 -1.762 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.374 -2.763 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.264 -3.074 1.047 1.00 0.00 H new ATOM 432 N HIS A 29 -5.385 1.245 5.016 1.00 0.00 N ATOM 433 CA HIS A 29 -5.892 2.107 6.074 1.00 0.00 C ATOM 434 C HIS A 29 -4.880 3.230 6.304 1.00 0.00 C ATOM 435 O HIS A 29 -4.398 3.851 5.356 1.00 0.00 O ATOM 436 CB HIS A 29 -6.089 1.323 7.386 1.00 0.00 C ATOM 437 CG HIS A 29 -7.233 0.355 7.401 1.00 0.00 C ATOM 438 ND1 HIS A 29 -7.040 -1.001 7.287 1.00 0.00 N ATOM 439 CD2 HIS A 29 -8.556 0.591 7.579 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.230 -1.560 7.398 1.00 0.00 C ATOM 441 NE2 HIS A 29 -9.188 -0.631 7.579 1.00 0.00 N ATOM 0 H HIS A 29 -4.847 0.444 5.347 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.859 2.509 5.772 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.171 0.776 7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.232 2.038 8.197 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.025 1.556 7.698 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.412 -2.623 7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -10.187 -0.800 7.694 1.00 0.00 H new ATOM 449 N SER A 30 -4.463 3.391 7.548 1.00 0.00 N ATOM 450 CA SER A 30 -3.409 4.327 7.886 1.00 0.00 C ATOM 451 C SER A 30 -2.126 3.587 8.279 1.00 0.00 C ATOM 452 O SER A 30 -1.020 4.053 8.007 1.00 0.00 O ATOM 453 CB SER A 30 -3.870 5.225 9.035 1.00 0.00 C ATOM 454 OG SER A 30 -4.588 6.352 8.558 1.00 0.00 O ATOM 0 H SER A 30 -4.843 2.880 8.345 1.00 0.00 H new ATOM 0 HA SER A 30 -3.193 4.939 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.500 4.652 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.004 5.559 9.607 1.00 0.00 H new ATOM 0 HG SER A 30 -4.870 6.905 9.316 1.00 0.00 H new ATOM 460 N ARG A 31 -2.285 2.508 9.043 1.00 0.00 N ATOM 461 CA ARG A 31 -1.145 1.828 9.660 1.00 0.00 C ATOM 462 C ARG A 31 -0.701 0.580 8.893 1.00 0.00 C ATOM 463 O ARG A 31 0.192 -0.134 9.345 1.00 0.00 O ATOM 464 CB ARG A 31 -1.502 1.437 11.099 1.00 0.00 C ATOM 465 CG ARG A 31 -0.350 1.575 12.084 1.00 0.00 C ATOM 466 CD ARG A 31 0.191 0.217 12.504 1.00 0.00 C ATOM 467 NE ARG A 31 0.055 -0.009 13.943 1.00 0.00 N ATOM 468 CZ ARG A 31 -0.918 -0.740 14.494 1.00 0.00 C ATOM 469 NH1 ARG A 31 -1.834 -1.313 13.720 1.00 0.00 N ATOM 470 NH2 ARG A 31 -0.966 -0.900 15.812 1.00 0.00 N ATOM 0 H ARG A 31 -3.190 2.085 9.250 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.310 2.529 9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.332 2.057 11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.852 0.405 11.108 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.449 2.162 11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.687 2.122 12.965 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.339 -0.567 11.963 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.242 0.143 12.224 1.00 0.00 H new ATOM 0 HE ARG A 31 0.744 0.417 14.563 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.793 -1.194 12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.578 -1.872 14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.259 -0.464 16.405 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.710 -1.458 16.231 1.00 0.00 H new ATOM 484 N CYS A 32 -1.350 0.273 7.781 1.00 0.00 N ATOM 485 CA CYS A 32 -1.019 -0.934 7.036 1.00 0.00 C ATOM 486 C CYS A 32 0.235 -0.740 6.194 1.00 0.00 C ATOM 487 O CYS A 32 1.132 -1.584 6.198 1.00 0.00 O ATOM 488 CB CYS A 32 -2.188 -1.319 6.148 1.00 0.00 C ATOM 489 SG CYS A 32 -3.702 -0.403 6.524 1.00 0.00 S ATOM 0 H CYS A 32 -2.100 0.834 7.377 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.821 -1.734 7.749 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.916 -1.147 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.381 -2.386 6.255 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.396 -1.056 7.408 1.00 0.00 H new ATOM 494 N LEU A 33 0.302 0.377 5.488 1.00 0.00 N ATOM 495 CA LEU A 33 1.470 0.680 4.681 1.00 0.00 C ATOM 496 C LEU A 33 2.450 1.526 5.478 1.00 0.00 C ATOM 497 O LEU A 33 2.090 2.560 6.049 1.00 0.00 O ATOM 498 CB LEU A 33 1.068 1.365 3.366 1.00 0.00 C ATOM 499 CG LEU A 33 1.320 2.868 3.282 1.00 0.00 C ATOM 500 CD1 LEU A 33 2.216 3.195 2.098 1.00 0.00 C ATOM 501 CD2 LEU A 33 0.003 3.608 3.170 1.00 0.00 C ATOM 0 H LEU A 33 -0.433 1.083 5.458 1.00 0.00 H new ATOM 0 HA LEU A 33 1.966 -0.254 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.606 0.882 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.006 1.186 3.198 1.00 0.00 H new ATOM 0 HG LEU A 33 1.828 3.189 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.384 4.271 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.171 2.683 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.736 2.866 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.192 4.680 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.522 3.282 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.609 3.396 4.046 1.00 0.00 H new ATOM 513 N LYS A 34 3.652 1.002 5.618 1.00 0.00 N ATOM 514 CA LYS A 34 4.681 1.618 6.432 1.00 0.00 C ATOM 515 C LYS A 34 6.011 0.984 6.095 1.00 0.00 C ATOM 516 O LYS A 34 6.049 -0.065 5.450 1.00 0.00 O ATOM 517 CB LYS A 34 4.359 1.438 7.926 1.00 0.00 C ATOM 518 CG LYS A 34 4.758 0.081 8.499 1.00 0.00 C ATOM 519 CD LYS A 34 3.630 -0.932 8.397 1.00 0.00 C ATOM 520 CE LYS A 34 4.034 -2.129 7.554 1.00 0.00 C ATOM 521 NZ LYS A 34 3.033 -3.227 7.626 1.00 0.00 N ATOM 0 H LYS A 34 3.943 0.134 5.169 1.00 0.00 H new ATOM 0 HA LYS A 34 4.725 2.687 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.866 2.220 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.289 1.580 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.632 -0.295 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.047 0.199 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.348 -1.267 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.751 -0.457 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.155 -1.817 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.002 -2.499 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.416 -4.077 7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.822 -3.440 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.160 -2.933 7.142 1.00 0.00 H new ATOM 535 N CYS A 35 7.090 1.609 6.525 1.00 0.00 N ATOM 536 CA CYS A 35 8.408 1.075 6.279 1.00 0.00 C ATOM 537 C CYS A 35 8.554 -0.283 6.949 1.00 0.00 C ATOM 538 O CYS A 35 8.074 -0.491 8.065 1.00 0.00 O ATOM 539 CB CYS A 35 9.476 2.025 6.804 1.00 0.00 C ATOM 540 SG CYS A 35 11.180 1.498 6.421 1.00 0.00 S ATOM 0 H CYS A 35 7.076 2.486 7.046 1.00 0.00 H new ATOM 0 HA CYS A 35 8.539 0.961 5.203 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.308 3.016 6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.368 2.117 7.885 1.00 0.00 H new ATOM 0 HG CYS A 35 11.887 2.533 6.077 1.00 0.00 H new ATOM 545 N SER A 36 9.257 -1.181 6.288 1.00 0.00 N ATOM 546 CA SER A 36 9.498 -2.501 6.835 1.00 0.00 C ATOM 547 C SER A 36 10.414 -2.423 8.054 1.00 0.00 C ATOM 548 O SER A 36 10.367 -3.288 8.927 1.00 0.00 O ATOM 549 CB SER A 36 10.107 -3.404 5.764 1.00 0.00 C ATOM 550 OG SER A 36 9.853 -2.884 4.466 1.00 0.00 O ATOM 0 H SER A 36 9.672 -1.020 5.370 1.00 0.00 H new ATOM 0 HA SER A 36 8.546 -2.925 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.182 -3.491 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.690 -4.408 5.847 1.00 0.00 H new ATOM 0 HG SER A 36 10.069 -3.563 3.793 1.00 0.00 H new ATOM 556 N SER A 37 11.216 -1.364 8.128 1.00 0.00 N ATOM 557 CA SER A 37 12.134 -1.186 9.243 1.00 0.00 C ATOM 558 C SER A 37 11.682 -0.071 10.189 1.00 0.00 C ATOM 559 O SER A 37 11.692 -0.248 11.408 1.00 0.00 O ATOM 560 CB SER A 37 13.541 -0.897 8.729 1.00 0.00 C ATOM 561 OG SER A 37 13.732 -1.434 7.427 1.00 0.00 O ATOM 0 H SER A 37 11.247 -0.620 7.431 1.00 0.00 H new ATOM 0 HA SER A 37 12.139 -2.117 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.710 0.180 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.276 -1.323 9.412 1.00 0.00 H new ATOM 0 HG SER A 37 14.526 -1.029 7.019 1.00 0.00 H new ATOM 567 N CYS A 38 11.291 1.078 9.638 1.00 0.00 N ATOM 568 CA CYS A 38 10.856 2.198 10.469 1.00 0.00 C ATOM 569 C CYS A 38 9.505 1.902 11.103 1.00 0.00 C ATOM 570 O CYS A 38 9.258 2.264 12.254 1.00 0.00 O ATOM 571 CB CYS A 38 10.760 3.487 9.649 1.00 0.00 C ATOM 572 SG CYS A 38 12.353 4.090 9.008 1.00 0.00 S ATOM 0 H CYS A 38 11.267 1.256 8.634 1.00 0.00 H new ATOM 0 HA CYS A 38 11.601 2.334 11.253 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.084 3.320 8.810 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.313 4.265 10.268 1.00 0.00 H new ATOM 0 HG CYS A 38 12.914 3.159 8.295 1.00 0.00 H new ATOM 577 N GLN A 39 8.629 1.278 10.318 1.00 0.00 N ATOM 578 CA GLN A 39 7.278 0.946 10.760 1.00 0.00 C ATOM 579 C GLN A 39 6.491 2.213 11.090 1.00 0.00 C ATOM 580 O GLN A 39 5.515 2.177 11.839 1.00 0.00 O ATOM 581 CB GLN A 39 7.319 0.009 11.970 1.00 0.00 C ATOM 582 CG GLN A 39 7.896 -1.363 11.657 1.00 0.00 C ATOM 583 CD GLN A 39 6.907 -2.255 10.937 1.00 0.00 C ATOM 584 OE1 GLN A 39 5.718 -2.266 11.255 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.391 -3.010 9.966 1.00 0.00 N ATOM 0 H GLN A 39 8.835 0.990 9.362 1.00 0.00 H new ATOM 0 HA GLN A 39 6.771 0.430 9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.912 0.472 12.758 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.309 -0.111 12.361 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.790 -1.247 11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.206 -1.844 12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.384 -2.970 9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.772 -3.633 9.448 1.00 0.00 H new ATOM 594 N ALA A 40 6.882 3.320 10.475 1.00 0.00 N ATOM 595 CA ALA A 40 6.197 4.571 10.644 1.00 0.00 C ATOM 596 C ALA A 40 5.294 4.826 9.457 1.00 0.00 C ATOM 597 O ALA A 40 5.498 4.273 8.375 1.00 0.00 O ATOM 598 CB ALA A 40 7.193 5.706 10.814 1.00 0.00 C ATOM 0 H ALA A 40 7.684 3.365 9.847 1.00 0.00 H new ATOM 0 HA ALA A 40 5.586 4.520 11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.656 6.646 10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.810 5.520 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.829 5.768 9.931 1.00 0.00 H new ATOM 604 N GLN A 41 4.300 5.647 9.684 1.00 0.00 N ATOM 605 CA GLN A 41 3.318 5.996 8.668 1.00 0.00 C ATOM 606 C GLN A 41 3.988 6.695 7.488 1.00 0.00 C ATOM 607 O GLN A 41 4.382 7.861 7.582 1.00 0.00 O ATOM 608 CB GLN A 41 2.236 6.896 9.271 1.00 0.00 C ATOM 609 CG GLN A 41 0.835 6.556 8.799 1.00 0.00 C ATOM 610 CD GLN A 41 -0.081 7.762 8.739 1.00 0.00 C ATOM 611 OE1 GLN A 41 -0.227 8.496 9.718 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.712 7.964 7.594 1.00 0.00 N ATOM 0 H GLN A 41 4.141 6.100 10.584 1.00 0.00 H new ATOM 0 HA GLN A 41 2.855 5.079 8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.274 6.818 10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.455 7.933 9.018 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.892 6.101 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.403 5.812 9.468 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.560 7.330 6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.350 8.754 7.496 1.00 0.00 H new ATOM 621 N LEU A 42 4.162 5.956 6.396 1.00 0.00 N ATOM 622 CA LEU A 42 4.861 6.461 5.217 1.00 0.00 C ATOM 623 C LEU A 42 4.037 7.521 4.482 1.00 0.00 C ATOM 624 O LEU A 42 4.491 8.103 3.498 1.00 0.00 O ATOM 625 CB LEU A 42 5.204 5.305 4.269 1.00 0.00 C ATOM 626 CG LEU A 42 6.585 4.674 4.473 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.042 3.986 3.198 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.608 5.715 4.908 1.00 0.00 C ATOM 0 H LEU A 42 3.826 4.998 6.303 1.00 0.00 H new ATOM 0 HA LEU A 42 5.783 6.934 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.448 4.528 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.137 5.667 3.243 1.00 0.00 H new ATOM 0 HG LEU A 42 6.503 3.931 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.025 3.542 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.330 3.205 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.100 4.716 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.578 5.237 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.689 6.487 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.290 6.167 5.848 1.00 0.00 H new ATOM 640 N GLY A 43 2.840 7.792 4.982 1.00 0.00 N ATOM 641 CA GLY A 43 2.014 8.826 4.400 1.00 0.00 C ATOM 642 C GLY A 43 1.895 10.030 5.311 1.00 0.00 C ATOM 643 O GLY A 43 1.115 10.947 5.047 1.00 0.00 O ATOM 0 H GLY A 43 2.427 7.312 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.437 9.134 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.021 8.426 4.195 1.00 0.00 H new ATOM 647 N ASP A 44 2.652 10.017 6.401 1.00 0.00 N ATOM 648 CA ASP A 44 2.598 11.092 7.385 1.00 0.00 C ATOM 649 C ASP A 44 3.886 11.906 7.383 1.00 0.00 C ATOM 650 O ASP A 44 3.874 13.113 7.138 1.00 0.00 O ATOM 651 CB ASP A 44 2.355 10.519 8.782 1.00 0.00 C ATOM 652 CG ASP A 44 2.238 11.592 9.844 1.00 0.00 C ATOM 653 OD1 ASP A 44 1.620 12.641 9.569 1.00 0.00 O ATOM 654 OD2 ASP A 44 2.743 11.385 10.965 1.00 0.00 O ATOM 0 H ASP A 44 3.312 9.273 6.627 1.00 0.00 H new ATOM 0 HA ASP A 44 1.773 11.751 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.442 9.923 8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.172 9.846 9.041 1.00 0.00 H new ATOM 659 N ILE A 45 5.001 11.234 7.638 1.00 0.00 N ATOM 660 CA ILE A 45 6.306 11.887 7.688 1.00 0.00 C ATOM 661 C ILE A 45 6.886 12.061 6.287 1.00 0.00 C ATOM 662 O ILE A 45 8.020 11.668 6.012 1.00 0.00 O ATOM 663 CB ILE A 45 7.297 11.087 8.559 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.104 9.582 8.350 1.00 0.00 C ATOM 665 CG2 ILE A 45 7.117 11.445 10.025 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.399 8.801 8.325 1.00 0.00 C ATOM 0 H ILE A 45 5.029 10.230 7.815 1.00 0.00 H new ATOM 0 HA ILE A 45 6.158 12.870 8.135 1.00 0.00 H new ATOM 0 HB ILE A 45 8.311 11.348 8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.470 9.192 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.574 9.419 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.822 10.873 10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.300 12.510 10.165 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.099 11.208 10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.183 7.743 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.027 9.164 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.922 8.932 9.273 1.00 0.00 H new ATOM 677 N GLY A 46 6.068 12.591 5.392 1.00 0.00 N ATOM 678 CA GLY A 46 6.464 12.730 4.007 1.00 0.00 C ATOM 679 C GLY A 46 5.867 11.632 3.162 1.00 0.00 C ATOM 680 O GLY A 46 6.155 10.457 3.378 1.00 0.00 O ATOM 0 H GLY A 46 5.129 12.930 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.143 13.700 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.551 12.702 3.931 1.00 0.00 H new ATOM 684 N THR A 47 4.957 11.993 2.274 1.00 0.00 N ATOM 685 CA THR A 47 4.233 10.997 1.505 1.00 0.00 C ATOM 686 C THR A 47 5.088 10.452 0.366 1.00 0.00 C ATOM 687 O THR A 47 5.276 11.106 -0.665 1.00 0.00 O ATOM 688 CB THR A 47 2.938 11.596 0.936 1.00 0.00 C ATOM 689 OG1 THR A 47 2.800 12.953 1.383 1.00 0.00 O ATOM 690 CG2 THR A 47 1.724 10.792 1.378 1.00 0.00 C ATOM 0 H THR A 47 4.704 12.960 2.069 1.00 0.00 H new ATOM 0 HA THR A 47 3.986 10.175 2.177 1.00 0.00 H new ATOM 0 HB THR A 47 2.995 11.566 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.975 13.335 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.821 11.238 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.819 9.766 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.662 10.796 2.466 1.00 0.00 H new ATOM 698 N SER A 48 5.569 9.230 0.552 1.00 0.00 N ATOM 699 CA SER A 48 6.385 8.551 -0.443 1.00 0.00 C ATOM 700 C SER A 48 6.315 7.047 -0.212 1.00 0.00 C ATOM 701 O SER A 48 5.928 6.603 0.868 1.00 0.00 O ATOM 702 CB SER A 48 7.838 9.036 -0.362 1.00 0.00 C ATOM 703 OG SER A 48 8.048 9.844 0.789 1.00 0.00 O ATOM 0 H SER A 48 5.404 8.683 1.397 1.00 0.00 H new ATOM 0 HA SER A 48 6.004 8.780 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.509 8.178 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.085 9.605 -1.259 1.00 0.00 H new ATOM 0 HG SER A 48 8.982 10.138 0.816 1.00 0.00 H new ATOM 709 N SER A 49 6.619 6.264 -1.234 1.00 0.00 N ATOM 710 CA SER A 49 6.529 4.817 -1.122 1.00 0.00 C ATOM 711 C SER A 49 7.545 4.139 -2.022 1.00 0.00 C ATOM 712 O SER A 49 7.960 4.699 -3.034 1.00 0.00 O ATOM 713 CB SER A 49 5.122 4.357 -1.492 1.00 0.00 C ATOM 714 OG SER A 49 4.455 5.350 -2.256 1.00 0.00 O ATOM 0 H SER A 49 6.928 6.603 -2.145 1.00 0.00 H new ATOM 0 HA SER A 49 6.744 4.538 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.175 3.428 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.553 4.145 -0.587 1.00 0.00 H new ATOM 0 HG SER A 49 5.013 5.604 -3.020 1.00 0.00 H new ATOM 720 N TYR A 50 7.922 2.927 -1.657 1.00 0.00 N ATOM 721 CA TYR A 50 8.862 2.153 -2.440 1.00 0.00 C ATOM 722 C TYR A 50 8.398 0.715 -2.530 1.00 0.00 C ATOM 723 O TYR A 50 8.459 -0.027 -1.551 1.00 0.00 O ATOM 724 CB TYR A 50 10.249 2.221 -1.817 1.00 0.00 C ATOM 725 CG TYR A 50 11.083 3.353 -2.353 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.297 3.490 -3.716 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.657 4.281 -1.499 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.063 4.522 -4.212 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.427 5.314 -1.989 1.00 0.00 C ATOM 730 CZ TYR A 50 12.628 5.431 -3.346 1.00 0.00 C ATOM 731 OH TYR A 50 13.404 6.456 -3.839 1.00 0.00 O ATOM 0 H TYR A 50 7.587 2.456 -0.816 1.00 0.00 H new ATOM 0 HA TYR A 50 8.912 2.571 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.150 2.330 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.768 1.279 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.857 2.778 -4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.499 4.194 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.220 4.618 -5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.871 6.028 -1.311 1.00 0.00 H new ATOM 0 HH TYR A 50 12.930 7.307 -3.730 1.00 0.00 H new ATOM 741 N THR A 51 7.878 0.351 -3.687 1.00 0.00 N ATOM 742 CA THR A 51 7.347 -0.980 -3.897 1.00 0.00 C ATOM 743 C THR A 51 8.363 -1.869 -4.596 1.00 0.00 C ATOM 744 O THR A 51 8.551 -1.783 -5.813 1.00 0.00 O ATOM 745 CB THR A 51 6.060 -0.940 -4.734 1.00 0.00 C ATOM 746 OG1 THR A 51 5.482 0.372 -4.678 1.00 0.00 O ATOM 747 CG2 THR A 51 5.060 -1.973 -4.236 1.00 0.00 C ATOM 0 H THR A 51 7.812 0.964 -4.500 1.00 0.00 H new ATOM 0 HA THR A 51 7.122 -1.392 -2.913 1.00 0.00 H new ATOM 0 HB THR A 51 6.312 -1.178 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.663 0.392 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.156 -1.927 -4.843 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.497 -2.969 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.809 -1.765 -3.196 1.00 0.00 H new ATOM 755 N LYS A 52 8.999 -2.731 -3.825 1.00 0.00 N ATOM 756 CA LYS A 52 9.965 -3.671 -4.363 1.00 0.00 C ATOM 757 C LYS A 52 10.064 -4.880 -3.450 1.00 0.00 C ATOM 758 O LYS A 52 9.988 -4.735 -2.229 1.00 0.00 O ATOM 759 CB LYS A 52 11.334 -3.010 -4.512 1.00 0.00 C ATOM 760 CG LYS A 52 11.827 -2.960 -5.949 1.00 0.00 C ATOM 761 CD LYS A 52 12.700 -1.741 -6.195 1.00 0.00 C ATOM 762 CE LYS A 52 13.142 -1.657 -7.645 1.00 0.00 C ATOM 763 NZ LYS A 52 13.542 -0.276 -8.026 1.00 0.00 N ATOM 0 H LYS A 52 8.863 -2.800 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 52 9.631 -3.992 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.284 -1.995 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.059 -3.553 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.392 -3.865 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.974 -2.941 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.150 -0.838 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.576 -1.783 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.979 -2.335 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.330 -1.991 -8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.853 -0.266 -9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.731 0.365 -7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.322 0.040 -7.416 1.00 0.00 H new ATOM 777 N SER A 53 10.145 -6.069 -4.045 1.00 0.00 N ATOM 778 CA SER A 53 10.205 -7.319 -3.289 1.00 0.00 C ATOM 779 C SER A 53 8.934 -7.537 -2.468 1.00 0.00 C ATOM 780 O SER A 53 8.974 -8.145 -1.398 1.00 0.00 O ATOM 781 CB SER A 53 11.425 -7.316 -2.365 1.00 0.00 C ATOM 782 OG SER A 53 12.613 -7.057 -3.095 1.00 0.00 O ATOM 0 H SER A 53 10.171 -6.193 -5.057 1.00 0.00 H new ATOM 0 HA SER A 53 10.291 -8.137 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.297 -6.560 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.506 -8.279 -1.860 1.00 0.00 H new ATOM 0 HG SER A 53 13.379 -7.058 -2.484 1.00 0.00 H new ATOM 788 N GLY A 54 7.819 -6.990 -2.950 1.00 0.00 N ATOM 789 CA GLY A 54 6.563 -7.092 -2.225 1.00 0.00 C ATOM 790 C GLY A 54 6.604 -6.339 -0.913 1.00 0.00 C ATOM 791 O GLY A 54 5.823 -6.614 -0.001 1.00 0.00 O ATOM 0 H GLY A 54 7.764 -6.478 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.755 -6.701 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.339 -8.141 -2.034 1.00 0.00 H new ATOM 795 N MET A 55 7.564 -5.434 -0.795 1.00 0.00 N ATOM 796 CA MET A 55 7.763 -4.684 0.431 1.00 0.00 C ATOM 797 C MET A 55 7.505 -3.205 0.202 1.00 0.00 C ATOM 798 O MET A 55 7.407 -2.750 -0.940 1.00 0.00 O ATOM 799 CB MET A 55 9.187 -4.883 0.953 1.00 0.00 C ATOM 800 CG MET A 55 9.271 -5.761 2.191 1.00 0.00 C ATOM 801 SD MET A 55 10.966 -5.980 2.780 1.00 0.00 S ATOM 802 CE MET A 55 11.883 -6.028 1.238 1.00 0.00 C ATOM 0 H MET A 55 8.220 -5.202 -1.540 1.00 0.00 H new ATOM 0 HA MET A 55 7.056 -5.055 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.795 -5.326 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.620 -3.909 1.180 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.669 -5.320 2.985 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.839 -6.737 1.969 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.919 -6.300 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.437 -6.767 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.851 -5.047 0.765 1.00 0.00 H new ATOM 812 N ILE A 56 7.464 -2.462 1.293 1.00 0.00 N ATOM 813 CA ILE A 56 7.279 -1.021 1.250 1.00 0.00 C ATOM 814 C ILE A 56 8.249 -0.364 2.231 1.00 0.00 C ATOM 815 O ILE A 56 8.267 -0.702 3.418 1.00 0.00 O ATOM 816 CB ILE A 56 5.807 -0.637 1.574 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.963 -0.670 0.299 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.705 0.736 2.226 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.963 -1.803 0.262 1.00 0.00 C ATOM 0 H ILE A 56 7.558 -2.840 2.236 1.00 0.00 H new ATOM 0 HA ILE A 56 7.490 -0.661 0.243 1.00 0.00 H new ATOM 0 HB ILE A 56 5.427 -1.370 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.431 0.276 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.625 -0.753 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.660 0.963 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.270 0.739 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.112 1.490 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.401 -1.762 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.489 -2.755 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.276 -1.710 1.103 1.00 0.00 H new ATOM 830 N LEU A 57 9.158 0.438 1.700 1.00 0.00 N ATOM 831 CA LEU A 57 10.226 1.025 2.500 1.00 0.00 C ATOM 832 C LEU A 57 10.276 2.534 2.324 1.00 0.00 C ATOM 833 O LEU A 57 9.686 3.076 1.388 1.00 0.00 O ATOM 834 CB LEU A 57 11.581 0.431 2.103 1.00 0.00 C ATOM 835 CG LEU A 57 11.701 -1.084 2.257 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.168 -1.716 0.954 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.653 -1.425 3.393 1.00 0.00 C ATOM 0 H LEU A 57 9.179 0.699 0.714 1.00 0.00 H new ATOM 0 HA LEU A 57 10.017 0.796 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.782 0.691 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.357 0.903 2.706 1.00 0.00 H new ATOM 0 HG LEU A 57 10.718 -1.489 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.248 -2.796 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.449 -1.496 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.142 -1.310 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.729 -2.508 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.638 -1.010 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.275 -1.002 4.324 1.00 0.00 H new ATOM 849 N CYS A 58 11.052 3.190 3.178 1.00 0.00 N ATOM 850 CA CYS A 58 11.268 4.622 3.069 1.00 0.00 C ATOM 851 C CYS A 58 12.444 4.901 2.137 1.00 0.00 C ATOM 852 O CYS A 58 13.085 3.969 1.652 1.00 0.00 O ATOM 853 CB CYS A 58 11.525 5.226 4.454 1.00 0.00 C ATOM 854 SG CYS A 58 13.088 4.702 5.234 1.00 0.00 S ATOM 0 H CYS A 58 11.543 2.748 3.956 1.00 0.00 H new ATOM 0 HA CYS A 58 10.374 5.085 2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.524 6.313 4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.698 4.958 5.112 1.00 0.00 H new ATOM 0 HG CYS A 58 12.885 4.467 6.496 1.00 0.00 H new ATOM 859 N ARG A 59 12.748 6.176 1.923 1.00 0.00 N ATOM 860 CA ARG A 59 13.870 6.563 1.072 1.00 0.00 C ATOM 861 C ARG A 59 15.184 6.030 1.636 1.00 0.00 C ATOM 862 O ARG A 59 15.974 5.416 0.920 1.00 0.00 O ATOM 863 CB ARG A 59 13.946 8.089 0.942 1.00 0.00 C ATOM 864 CG ARG A 59 14.093 8.591 -0.492 1.00 0.00 C ATOM 865 CD ARG A 59 14.950 7.661 -1.340 1.00 0.00 C ATOM 866 NE ARG A 59 16.195 8.292 -1.780 1.00 0.00 N ATOM 867 CZ ARG A 59 16.770 8.052 -2.960 1.00 0.00 C ATOM 868 NH1 ARG A 59 16.182 7.245 -3.838 1.00 0.00 N ATOM 869 NH2 ARG A 59 17.925 8.637 -3.274 1.00 0.00 N ATOM 0 H ARG A 59 12.234 6.960 2.326 1.00 0.00 H new ATOM 0 HA ARG A 59 13.708 6.130 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.046 8.524 1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.790 8.450 1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.106 8.687 -0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.538 9.586 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.184 6.764 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.380 7.342 -2.213 1.00 0.00 H new ATOM 0 HE ARG A 59 16.649 8.953 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.289 6.808 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.624 7.063 -4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.372 9.271 -2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.362 8.451 -4.177 1.00 0.00 H new ATOM 883 N ASN A 60 15.405 6.266 2.920 1.00 0.00 N ATOM 884 CA ASN A 60 16.631 5.839 3.583 1.00 0.00 C ATOM 885 C ASN A 60 16.729 4.317 3.627 1.00 0.00 C ATOM 886 O ASN A 60 17.791 3.745 3.383 1.00 0.00 O ATOM 887 CB ASN A 60 16.694 6.414 5.006 1.00 0.00 C ATOM 888 CG ASN A 60 17.797 5.797 5.852 1.00 0.00 C ATOM 889 OD1 ASN A 60 18.963 5.761 5.450 1.00 0.00 O ATOM 890 ND2 ASN A 60 17.438 5.322 7.037 1.00 0.00 N ATOM 0 H ASN A 60 14.748 6.754 3.528 1.00 0.00 H new ATOM 0 HA ASN A 60 17.476 6.218 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.848 7.492 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.735 6.255 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.137 4.908 7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.463 5.371 7.332 1.00 0.00 H new ATOM 897 N ASP A 61 15.627 3.664 3.969 1.00 0.00 N ATOM 898 CA ASP A 61 15.626 2.214 4.113 1.00 0.00 C ATOM 899 C ASP A 61 15.737 1.518 2.768 1.00 0.00 C ATOM 900 O ASP A 61 16.377 0.472 2.659 1.00 0.00 O ATOM 901 CB ASP A 61 14.383 1.740 4.852 1.00 0.00 C ATOM 902 CG ASP A 61 14.686 1.451 6.303 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.360 0.425 6.576 1.00 0.00 O ATOM 904 OD2 ASP A 61 14.311 2.262 7.177 1.00 0.00 O ATOM 0 H ASP A 61 14.728 4.111 4.151 1.00 0.00 H new ATOM 0 HA ASP A 61 16.504 1.948 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.605 2.500 4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.993 0.842 4.374 1.00 0.00 H new ATOM 909 N TYR A 62 15.187 2.137 1.734 1.00 0.00 N ATOM 910 CA TYR A 62 15.309 1.610 0.382 1.00 0.00 C ATOM 911 C TYR A 62 16.778 1.552 -0.029 1.00 0.00 C ATOM 912 O TYR A 62 17.220 0.599 -0.676 1.00 0.00 O ATOM 913 CB TYR A 62 14.523 2.480 -0.606 1.00 0.00 C ATOM 914 CG TYR A 62 14.659 2.035 -2.044 1.00 0.00 C ATOM 915 CD1 TYR A 62 15.703 2.492 -2.838 1.00 0.00 C ATOM 916 CD2 TYR A 62 13.753 1.144 -2.601 1.00 0.00 C ATOM 917 CE1 TYR A 62 15.844 2.071 -4.141 1.00 0.00 C ATOM 918 CE2 TYR A 62 13.882 0.723 -3.907 1.00 0.00 C ATOM 919 CZ TYR A 62 14.931 1.188 -4.672 1.00 0.00 C ATOM 920 OH TYR A 62 15.068 0.761 -5.970 1.00 0.00 O ATOM 0 H TYR A 62 14.653 3.003 1.804 1.00 0.00 H new ATOM 0 HA TYR A 62 14.895 0.602 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.469 2.468 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.864 3.512 -0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 62 16.417 3.190 -2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.934 0.775 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.665 2.431 -4.743 1.00 0.00 H new ATOM 0 HE2 TYR A 62 13.166 0.033 -4.329 1.00 0.00 H new ATOM 0 HH TYR A 62 16.017 0.755 -6.214 1.00 0.00 H new ATOM 930 N ILE A 63 17.535 2.563 0.375 1.00 0.00 N ATOM 931 CA ILE A 63 18.955 2.634 0.055 1.00 0.00 C ATOM 932 C ILE A 63 19.732 1.548 0.800 1.00 0.00 C ATOM 933 O ILE A 63 20.734 1.029 0.304 1.00 0.00 O ATOM 934 CB ILE A 63 19.536 4.029 0.385 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.796 5.117 -0.403 1.00 0.00 C ATOM 936 CG2 ILE A 63 21.025 4.082 0.080 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.492 4.737 -1.838 1.00 0.00 C ATOM 0 H ILE A 63 17.188 3.348 0.927 1.00 0.00 H new ATOM 0 HA ILE A 63 19.061 2.467 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 63 19.397 4.210 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.861 5.349 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 63 19.396 6.027 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.411 5.073 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.546 3.335 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 63 21.187 3.876 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.968 5.557 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.424 4.534 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.865 3.845 -1.853 1.00 0.00 H new ATOM 948 N ARG A 64 19.205 1.136 1.942 1.00 0.00 N ATOM 949 CA ARG A 64 19.798 0.045 2.704 1.00 0.00 C ATOM 950 C ARG A 64 19.381 -1.301 2.121 1.00 0.00 C ATOM 951 O ARG A 64 20.098 -2.295 2.244 1.00 0.00 O ATOM 952 CB ARG A 64 19.370 0.125 4.168 1.00 0.00 C ATOM 953 CG ARG A 64 20.290 0.975 5.025 1.00 0.00 C ATOM 954 CD ARG A 64 19.516 2.043 5.780 1.00 0.00 C ATOM 955 NE ARG A 64 18.385 1.483 6.517 1.00 0.00 N ATOM 956 CZ ARG A 64 18.432 1.131 7.801 1.00 0.00 C ATOM 957 NH1 ARG A 64 19.566 1.229 8.483 1.00 0.00 N ATOM 958 NH2 ARG A 64 17.349 0.651 8.392 1.00 0.00 N ATOM 0 H ARG A 64 18.368 1.539 2.363 1.00 0.00 H new ATOM 0 HA ARG A 64 20.882 0.137 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.360 0.531 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.330 -0.883 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.820 0.339 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 64 21.044 1.447 4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.184 2.552 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.155 2.794 5.077 1.00 0.00 H new ATOM 0 HE ARG A 64 17.505 1.354 6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.409 1.576 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.595 0.958 9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.482 0.552 7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.382 0.381 9.375 1.00 0.00 H new ATOM 972 N LEU A 65 18.197 -1.335 1.528 1.00 0.00 N ATOM 973 CA LEU A 65 17.658 -2.563 0.966 1.00 0.00 C ATOM 974 C LEU A 65 18.296 -2.871 -0.383 1.00 0.00 C ATOM 975 O LEU A 65 18.810 -3.968 -0.594 1.00 0.00 O ATOM 976 CB LEU A 65 16.138 -2.459 0.817 1.00 0.00 C ATOM 977 CG LEU A 65 15.336 -3.516 1.578 1.00 0.00 C ATOM 978 CD1 LEU A 65 15.616 -4.906 1.026 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.652 -3.458 3.065 1.00 0.00 C ATOM 0 H LEU A 65 17.589 -0.522 1.424 1.00 0.00 H new ATOM 0 HA LEU A 65 17.892 -3.378 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.822 -1.472 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.887 -2.528 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 65 14.276 -3.303 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.035 -5.642 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.336 -4.943 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.678 -5.130 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.072 -4.217 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 65 16.715 -3.643 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.395 -2.472 3.453 1.00 0.00 H new ATOM 991 N PHE A 66 18.248 -1.910 -1.298 1.00 0.00 N ATOM 992 CA PHE A 66 18.810 -2.107 -2.629 1.00 0.00 C ATOM 993 C PHE A 66 19.878 -1.061 -2.934 1.00 0.00 C ATOM 994 O PHE A 66 20.978 -1.400 -3.375 1.00 0.00 O ATOM 995 CB PHE A 66 17.704 -2.045 -3.690 1.00 0.00 C ATOM 996 CG PHE A 66 16.467 -2.808 -3.315 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.411 -4.183 -3.470 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.361 -2.151 -2.801 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.277 -4.889 -3.121 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.223 -2.850 -2.452 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.181 -4.220 -2.611 1.00 0.00 C ATOM 0 H PHE A 66 17.829 -0.993 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 66 19.275 -3.092 -2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.438 -1.002 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 66 18.092 -2.437 -4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.265 -4.710 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.389 -1.079 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.247 -5.961 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.367 -2.325 -2.055 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.292 -4.769 -2.337 1.00 0.00 H new ATOM 1011 N GLY A 67 19.595 0.190 -2.600 1.00 0.00 N ATOM 1012 CA GLY A 67 20.573 1.243 -2.793 1.00 0.00 C ATOM 1013 C GLY A 67 20.195 2.211 -3.895 1.00 0.00 C ATOM 1014 O GLY A 67 19.067 2.197 -4.380 1.00 0.00 O ATOM 0 H GLY A 67 18.708 0.495 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.694 1.793 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.539 0.795 -3.027 1.00 0.00 H new ATOM 1424 N GLU A 102 9.493 6.095 -6.314 1.00 0.00 N ATOM 1425 CA GLU A 102 8.539 6.591 -5.331 1.00 0.00 C ATOM 1426 C GLU A 102 7.322 7.220 -6.013 1.00 0.00 C ATOM 1427 O GLU A 102 6.964 6.835 -7.129 1.00 0.00 O ATOM 1428 CB GLU A 102 9.212 7.596 -4.387 1.00 0.00 C ATOM 1429 CG GLU A 102 10.363 8.361 -5.016 1.00 0.00 C ATOM 1430 CD GLU A 102 9.894 9.439 -5.969 1.00 0.00 C ATOM 1431 OE1 GLU A 102 9.266 10.414 -5.507 1.00 0.00 O ATOM 1432 OE2 GLU A 102 10.143 9.311 -7.183 1.00 0.00 O ATOM 0 HA GLU A 102 8.191 5.743 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.464 8.308 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.580 7.064 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.966 8.814 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.008 7.664 -5.551 1.00 0.00 H new ATOM 1439 N ARG A 103 6.683 8.174 -5.331 1.00 0.00 N ATOM 1440 CA ARG A 103 5.485 8.840 -5.844 1.00 0.00 C ATOM 1441 C ARG A 103 4.418 7.810 -6.203 1.00 0.00 C ATOM 1442 O ARG A 103 3.824 7.853 -7.280 1.00 0.00 O ATOM 1443 CB ARG A 103 5.825 9.710 -7.057 1.00 0.00 C ATOM 1444 CG ARG A 103 5.210 11.099 -6.999 1.00 0.00 C ATOM 1445 CD ARG A 103 6.064 12.058 -6.181 1.00 0.00 C ATOM 1446 NE ARG A 103 7.464 12.045 -6.603 1.00 0.00 N ATOM 1447 CZ ARG A 103 7.988 12.898 -7.480 1.00 0.00 C ATOM 1448 NH1 ARG A 103 7.239 13.851 -8.019 1.00 0.00 N ATOM 1449 NH2 ARG A 103 9.270 12.799 -7.812 1.00 0.00 N ATOM 0 H ARG A 103 6.980 8.504 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 103 5.091 9.489 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.908 9.804 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.483 9.207 -7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.093 11.488 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.213 11.038 -6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.666 13.068 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.001 11.789 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 103 8.078 11.337 -6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.255 13.933 -7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.647 14.502 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.850 12.071 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.675 13.451 -8.484 1.00 0.00 H new ATOM 1463 N LEU A 104 4.250 6.834 -5.325 1.00 0.00 N ATOM 1464 CA LEU A 104 3.334 5.732 -5.567 1.00 0.00 C ATOM 1465 C LEU A 104 2.120 5.833 -4.648 1.00 0.00 C ATOM 1466 O LEU A 104 1.182 5.042 -4.747 1.00 0.00 O ATOM 1467 CB LEU A 104 4.062 4.399 -5.343 1.00 0.00 C ATOM 1468 CG LEU A 104 3.591 3.213 -6.197 1.00 0.00 C ATOM 1469 CD1 LEU A 104 2.689 2.298 -5.387 1.00 0.00 C ATOM 1470 CD2 LEU A 104 2.881 3.685 -7.459 1.00 0.00 C ATOM 0 H LEU A 104 4.740 6.783 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 104 2.986 5.781 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.125 4.554 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.960 4.126 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 104 4.473 2.651 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.365 1.463 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.237 1.917 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.817 2.856 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.560 2.821 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.011 4.281 -7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.563 4.291 -8.055 1.00 0.00 H new ATOM 1482 N ILE A 105 2.155 6.785 -3.730 1.00 0.00 N ATOM 1483 CA ILE A 105 1.079 6.935 -2.768 1.00 0.00 C ATOM 1484 C ILE A 105 -0.068 7.766 -3.337 1.00 0.00 C ATOM 1485 O ILE A 105 0.080 8.963 -3.588 1.00 0.00 O ATOM 1486 CB ILE A 105 1.587 7.569 -1.442 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.161 6.485 -0.526 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.477 8.330 -0.724 1.00 0.00 C ATOM 1489 CD1 ILE A 105 2.660 7.010 0.805 1.00 0.00 C ATOM 0 H ILE A 105 2.912 7.461 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 105 0.705 5.934 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 105 2.372 8.282 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.394 5.732 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.982 5.986 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.868 8.760 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.108 9.128 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.339 7.647 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.052 6.184 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.450 7.741 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.837 7.484 1.341 1.00 0.00 H new ATOM 1500 N THR A 106 -1.246 7.164 -3.356 1.00 0.00 N ATOM 1501 CA THR A 106 -2.468 7.902 -3.609 1.00 0.00 C ATOM 1502 C THR A 106 -3.054 8.290 -2.259 1.00 0.00 C ATOM 1503 O THR A 106 -3.256 7.423 -1.404 1.00 0.00 O ATOM 1504 CB THR A 106 -3.484 7.074 -4.413 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.792 6.097 -5.205 1.00 0.00 O ATOM 1506 CG2 THR A 106 -4.326 7.965 -5.315 1.00 0.00 C ATOM 0 H THR A 106 -1.380 6.165 -3.199 1.00 0.00 H new ATOM 0 HA THR A 106 -2.242 8.784 -4.208 1.00 0.00 H new ATOM 0 HB THR A 106 -4.150 6.573 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.476 5.371 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.036 7.353 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.869 8.688 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.677 8.493 -6.013 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.970 9.572 -1.960 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.148 10.046 -0.596 1.00 0.00 C ATOM 1516 C ARG A 107 -4.564 9.955 -0.079 1.00 0.00 C ATOM 1517 O ARG A 107 -5.530 9.744 -0.813 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.603 11.476 -0.457 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.662 12.567 -0.532 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.926 12.999 -1.964 1.00 0.00 C ATOM 1521 NE ARG A 107 -4.843 14.133 -2.022 1.00 0.00 N ATOM 1522 CZ ARG A 107 -6.171 14.022 -1.977 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -6.744 12.825 -1.919 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -6.928 15.113 -1.990 1.00 0.00 N ATOM 0 H ARG A 107 -2.780 10.306 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.573 9.367 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.080 11.561 0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.866 11.648 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.588 12.206 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.339 13.428 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.984 13.267 -2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.344 12.163 -2.526 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.443 15.068 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.168 11.984 -1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.760 12.747 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.493 16.035 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.944 15.029 -1.956 1.00 0.00 H new ATOM 1538 N LEU A 108 -4.603 10.054 1.235 1.00 0.00 N ATOM 1539 CA LEU A 108 -5.788 9.947 2.051 1.00 0.00 C ATOM 1540 C LEU A 108 -6.798 11.053 1.776 1.00 0.00 C ATOM 1541 O LEU A 108 -6.896 11.564 0.662 1.00 0.00 O ATOM 1542 CB LEU A 108 -5.435 9.885 3.549 1.00 0.00 C ATOM 1543 CG LEU A 108 -4.177 10.642 4.027 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -2.908 9.866 3.705 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -4.109 12.050 3.447 1.00 0.00 C ATOM 0 H LEU A 108 -3.762 10.220 1.788 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.266 9.008 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.288 10.267 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.318 8.836 3.822 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.254 10.734 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.041 10.426 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.938 8.896 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.835 9.719 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.209 12.549 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.082 11.994 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.987 12.615 3.759 1.00 0.00 H new ATOM 1557 N GLU A 109 -7.715 11.182 2.713 1.00 0.00 N ATOM 1558 CA GLU A 109 -8.926 11.951 2.544 1.00 0.00 C ATOM 1559 C GLU A 109 -8.688 13.377 2.067 1.00 0.00 C ATOM 1560 O GLU A 109 -7.637 13.983 2.289 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.642 12.012 3.887 1.00 0.00 C ATOM 1562 CG GLU A 109 -9.076 13.061 4.840 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.831 12.606 5.587 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.407 11.447 5.413 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -7.278 13.409 6.367 1.00 0.00 O ATOM 0 H GLU A 109 -7.635 10.745 3.631 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.515 11.452 1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.698 12.222 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.585 11.033 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.839 13.962 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.844 13.332 5.564 1.00 0.00 H new