USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 10 SER OG : rot 50:sc= -0.544 USER MOD Set 1.2: A 36 MET CE :methyl -142:sc= -1.74 (180deg=-5.93!) USER MOD Single : A 6 THR OG1 : rot -28:sc= 0.014 USER MOD Single : A 12 SER OG : rot 180:sc= -0.213 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 166:sc= 0.334 USER MOD Single : A 26 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-0.96) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0578 USER MOD Single : A 33 TYR OH : rot -152:sc= -2.97! USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.00027) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.868 F(o=-1.7,f=-0.87) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 14:sc= -5.56! USER MOD Single : A 57 LYS NZ :NH3+ 138:sc= -0.273 (180deg=-1.96!) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.835 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 3.480 -2.524 -8.528 1.00 0.00 N ATOM 76 CA THR A 6 4.197 -2.602 -7.259 1.00 0.00 C ATOM 77 C THR A 6 4.075 -1.298 -6.473 1.00 0.00 C ATOM 78 O THR A 6 5.021 -0.874 -5.810 1.00 0.00 O ATOM 79 CB THR A 6 5.672 -2.922 -7.504 1.00 0.00 C ATOM 80 OG1 THR A 6 6.313 -1.853 -8.176 1.00 0.00 O ATOM 81 CG2 THR A 6 5.883 -4.174 -8.327 1.00 0.00 C ATOM 0 HA THR A 6 3.747 -3.401 -6.670 1.00 0.00 H new ATOM 0 HB THR A 6 6.101 -3.080 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.657 -1.368 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.951 -4.344 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.443 -5.027 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.407 -4.054 -9.300 1.00 0.00 H new ATOM 89 N VAL A 7 2.907 -0.666 -6.548 1.00 0.00 N ATOM 90 CA VAL A 7 2.672 0.586 -5.840 1.00 0.00 C ATOM 91 C VAL A 7 1.213 0.714 -5.421 1.00 0.00 C ATOM 92 O VAL A 7 0.312 0.704 -6.260 1.00 0.00 O ATOM 93 CB VAL A 7 3.049 1.805 -6.702 1.00 0.00 C ATOM 94 CG1 VAL A 7 3.079 3.068 -5.855 1.00 0.00 C ATOM 95 CG2 VAL A 7 4.388 1.583 -7.390 1.00 0.00 C ATOM 0 H VAL A 7 2.111 -1.000 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 7 3.306 0.567 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 7 2.289 1.929 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.347 3.919 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.095 3.236 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.816 2.955 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.636 2.456 -7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.162 1.430 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.326 0.704 -8.031 1.00 0.00 H new ATOM 105 N LEU A 8 0.987 0.836 -4.119 1.00 0.00 N ATOM 106 CA LEU A 8 -0.363 0.969 -3.587 1.00 0.00 C ATOM 107 C LEU A 8 -0.775 2.436 -3.512 1.00 0.00 C ATOM 108 O LEU A 8 0.038 3.303 -3.193 1.00 0.00 O ATOM 109 CB LEU A 8 -0.455 0.324 -2.202 1.00 0.00 C ATOM 110 CG LEU A 8 -1.711 -0.515 -1.961 1.00 0.00 C ATOM 111 CD1 LEU A 8 -2.962 0.305 -2.236 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.690 -1.765 -2.826 1.00 0.00 C ATOM 0 H LEU A 8 1.722 0.846 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.047 0.454 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.420 -0.309 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.411 1.110 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.725 -0.821 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.845 -0.309 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.983 1.170 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.956 0.642 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.591 -2.350 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.651 -1.479 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.812 -2.363 -2.580 1.00 0.00 H new ATOM 124 N ARG A 9 -2.042 2.706 -3.809 1.00 0.00 N ATOM 125 CA ARG A 9 -2.559 4.069 -3.775 1.00 0.00 C ATOM 126 C ARG A 9 -4.043 4.079 -3.424 1.00 0.00 C ATOM 127 O ARG A 9 -4.808 3.237 -3.895 1.00 0.00 O ATOM 128 CB ARG A 9 -2.338 4.754 -5.125 1.00 0.00 C ATOM 129 CG ARG A 9 -0.888 4.747 -5.581 1.00 0.00 C ATOM 130 CD ARG A 9 -0.625 5.826 -6.619 1.00 0.00 C ATOM 131 NE ARG A 9 0.447 5.452 -7.538 1.00 0.00 N ATOM 132 CZ ARG A 9 1.035 6.302 -8.377 1.00 0.00 C ATOM 133 NH1 ARG A 9 0.659 7.574 -8.414 1.00 0.00 N ATOM 134 NH2 ARG A 9 2.002 5.879 -9.179 1.00 0.00 N ATOM 0 H ARG A 9 -2.728 2.000 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.018 4.617 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.950 4.258 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.685 5.785 -5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.235 4.900 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.642 3.771 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.538 6.015 -7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.363 6.757 -6.116 1.00 0.00 H new ATOM 0 HE ARG A 9 0.764 4.482 -7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.084 7.904 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.113 8.221 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.295 4.902 -9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.453 6.530 -9.822 1.00 0.00 H new ATOM 148 N SER A 10 -4.443 5.036 -2.593 1.00 0.00 N ATOM 149 CA SER A 10 -5.836 5.154 -2.178 1.00 0.00 C ATOM 150 C SER A 10 -6.720 5.573 -3.350 1.00 0.00 C ATOM 151 O SER A 10 -6.289 6.324 -4.226 1.00 0.00 O ATOM 152 CB SER A 10 -5.965 6.168 -1.039 1.00 0.00 C ATOM 153 OG SER A 10 -6.927 5.746 -0.088 1.00 0.00 O ATOM 0 H SER A 10 -3.823 5.741 -2.194 1.00 0.00 H new ATOM 0 HA SER A 10 -6.169 4.177 -1.827 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.999 6.297 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.250 7.139 -1.443 1.00 0.00 H new ATOM 0 HG SER A 10 -6.749 4.817 0.167 1.00 0.00 H new ATOM 159 N PRO A 11 -7.974 5.090 -3.384 1.00 0.00 N ATOM 160 CA PRO A 11 -8.917 5.419 -4.457 1.00 0.00 C ATOM 161 C PRO A 11 -9.428 6.853 -4.363 1.00 0.00 C ATOM 162 O PRO A 11 -9.794 7.459 -5.370 1.00 0.00 O ATOM 163 CB PRO A 11 -10.061 4.429 -4.235 1.00 0.00 C ATOM 164 CG PRO A 11 -10.021 4.129 -2.777 1.00 0.00 C ATOM 165 CD PRO A 11 -8.571 4.188 -2.380 1.00 0.00 C ATOM 0 HA PRO A 11 -8.456 5.347 -5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.020 4.859 -4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.924 3.526 -4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.609 4.853 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.442 3.145 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.447 4.576 -1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.109 3.201 -2.402 1.00 0.00 H new ATOM 173 N SER A 12 -9.450 7.390 -3.147 1.00 0.00 N ATOM 174 CA SER A 12 -9.917 8.753 -2.923 1.00 0.00 C ATOM 175 C SER A 12 -9.271 9.352 -1.678 1.00 0.00 C ATOM 176 O SER A 12 -8.527 8.677 -0.966 1.00 0.00 O ATOM 177 CB SER A 12 -11.440 8.776 -2.783 1.00 0.00 C ATOM 178 OG SER A 12 -12.061 8.062 -3.838 1.00 0.00 O ATOM 0 H SER A 12 -9.150 6.902 -2.303 1.00 0.00 H new ATOM 0 HA SER A 12 -9.629 9.355 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.727 8.339 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.792 9.807 -2.781 1.00 0.00 H new ATOM 0 HG SER A 12 -13.034 8.091 -3.724 1.00 0.00 H new ATOM 184 N ALA A 13 -9.561 10.624 -1.421 1.00 0.00 N ATOM 185 CA ALA A 13 -9.009 11.314 -0.263 1.00 0.00 C ATOM 186 C ALA A 13 -9.717 10.889 1.019 1.00 0.00 C ATOM 187 O ALA A 13 -10.920 11.096 1.174 1.00 0.00 O ATOM 188 CB ALA A 13 -9.112 12.821 -0.449 1.00 0.00 C ATOM 0 H ALA A 13 -10.175 11.197 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.958 11.040 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.696 13.325 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.555 13.117 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.159 13.103 -0.566 1.00 0.00 H new ATOM 194 N GLY A 14 -8.962 10.293 1.937 1.00 0.00 N ATOM 195 CA GLY A 14 -9.534 9.849 3.194 1.00 0.00 C ATOM 196 C GLY A 14 -8.621 10.116 4.374 1.00 0.00 C ATOM 197 O GLY A 14 -8.102 11.222 4.528 1.00 0.00 O ATOM 0 H GLY A 14 -7.964 10.110 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.487 10.354 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.745 8.781 3.136 1.00 0.00 H new ATOM 201 N LYS A 15 -8.423 9.101 5.208 1.00 0.00 N ATOM 202 CA LYS A 15 -7.566 9.231 6.380 1.00 0.00 C ATOM 203 C LYS A 15 -7.158 7.861 6.911 1.00 0.00 C ATOM 204 O LYS A 15 -7.984 6.955 7.016 1.00 0.00 O ATOM 205 CB LYS A 15 -8.281 10.023 7.477 1.00 0.00 C ATOM 206 CG LYS A 15 -7.376 10.413 8.634 1.00 0.00 C ATOM 207 CD LYS A 15 -7.568 9.492 9.828 1.00 0.00 C ATOM 208 CE LYS A 15 -8.635 10.021 10.774 1.00 0.00 C ATOM 209 NZ LYS A 15 -8.095 11.057 11.697 1.00 0.00 N ATOM 0 H LYS A 15 -8.845 8.179 5.094 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.666 9.768 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.709 10.926 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.111 9.429 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.336 10.379 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.584 11.441 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.849 8.498 9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.625 9.388 10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.456 10.443 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.046 9.196 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.853 11.392 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.328 10.648 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.726 11.856 11.144 1.00 0.00 H new ATOM 223 N LEU A 16 -5.880 7.718 7.244 1.00 0.00 N ATOM 224 CA LEU A 16 -5.361 6.458 7.765 1.00 0.00 C ATOM 225 C LEU A 16 -5.933 6.170 9.149 1.00 0.00 C ATOM 226 O LEU A 16 -5.478 6.725 10.148 1.00 0.00 O ATOM 227 CB LEU A 16 -3.832 6.503 7.829 1.00 0.00 C ATOM 228 CG LEU A 16 -3.130 5.165 7.589 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.610 4.532 6.291 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.620 5.354 7.564 1.00 0.00 C ATOM 0 H LEU A 16 -5.184 8.459 7.163 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.666 5.657 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.474 7.220 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.536 6.880 8.808 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.381 4.493 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.099 3.581 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.685 4.361 6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.390 5.199 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.136 4.393 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.353 6.043 6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.288 5.762 8.519 1.00 0.00 H new ATOM 242 N THR A 17 -6.939 5.301 9.199 1.00 0.00 N ATOM 243 CA THR A 17 -7.578 4.943 10.461 1.00 0.00 C ATOM 244 C THR A 17 -6.701 3.996 11.275 1.00 0.00 C ATOM 245 O THR A 17 -6.516 4.189 12.477 1.00 0.00 O ATOM 246 CB THR A 17 -8.942 4.300 10.202 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.632 4.083 11.420 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.853 2.972 9.483 1.00 0.00 C ATOM 0 H THR A 17 -7.329 4.832 8.381 1.00 0.00 H new ATOM 0 HA THR A 17 -7.717 5.858 11.037 1.00 0.00 H new ATOM 0 HB THR A 17 -9.476 5.004 9.564 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.502 3.673 11.234 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.856 2.572 9.332 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.369 3.113 8.517 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.270 2.272 10.082 1.00 0.00 H new ATOM 256 N GLN A 18 -6.167 2.971 10.618 1.00 0.00 N ATOM 257 CA GLN A 18 -5.316 1.996 11.293 1.00 0.00 C ATOM 258 C GLN A 18 -4.570 1.125 10.282 1.00 0.00 C ATOM 259 O GLN A 18 -4.430 1.495 9.116 1.00 0.00 O ATOM 260 CB GLN A 18 -6.157 1.122 12.227 1.00 0.00 C ATOM 261 CG GLN A 18 -5.484 0.830 13.557 1.00 0.00 C ATOM 262 CD GLN A 18 -5.982 -0.453 14.194 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.689 -1.239 13.563 1.00 0.00 O ATOM 264 NE2 GLN A 18 -5.614 -0.671 15.451 1.00 0.00 N ATOM 0 H GLN A 18 -6.307 2.794 9.623 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.577 2.538 11.882 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.111 1.616 12.413 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.379 0.179 11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.406 0.762 13.407 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.660 1.662 14.239 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.027 0.008 15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.918 -1.517 15.932 1.00 0.00 H new ATOM 273 N TYR A 19 -4.093 -0.032 10.736 1.00 0.00 N ATOM 274 CA TYR A 19 -3.361 -0.950 9.871 1.00 0.00 C ATOM 275 C TYR A 19 -3.574 -2.396 10.309 1.00 0.00 C ATOM 276 O TYR A 19 -3.613 -2.695 11.502 1.00 0.00 O ATOM 277 CB TYR A 19 -1.869 -0.617 9.887 1.00 0.00 C ATOM 278 CG TYR A 19 -1.287 -0.510 11.278 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.949 -1.648 12.000 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.074 0.729 11.869 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.417 -1.555 13.272 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.542 0.831 13.141 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.215 -0.313 13.837 1.00 0.00 C ATOM 284 OH TYR A 19 0.315 -0.216 15.103 1.00 0.00 O ATOM 0 H TYR A 19 -4.201 -0.355 11.698 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.742 -0.836 8.856 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.328 -1.385 9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.710 0.325 9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.105 -2.622 11.560 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.328 1.627 11.326 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.161 -2.449 13.820 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.383 1.802 13.587 1.00 0.00 H new ATOM 0 HH TYR A 19 0.394 0.728 15.353 1.00 0.00 H new ATOM 294 N THR A 20 -3.715 -3.288 9.334 1.00 0.00 N ATOM 295 CA THR A 20 -3.929 -4.704 9.614 1.00 0.00 C ATOM 296 C THR A 20 -2.618 -5.488 9.573 1.00 0.00 C ATOM 297 O THR A 20 -2.574 -6.654 9.967 1.00 0.00 O ATOM 298 CB THR A 20 -4.919 -5.297 8.611 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.294 -5.518 7.359 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.128 -4.418 8.371 1.00 0.00 C ATOM 0 H THR A 20 -3.685 -3.055 8.341 1.00 0.00 H new ATOM 0 HA THR A 20 -4.340 -4.784 10.620 1.00 0.00 H new ATOM 0 HB THR A 20 -5.254 -6.234 9.056 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.865 -6.090 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.789 -4.898 7.650 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.662 -4.269 9.310 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.805 -3.453 7.981 1.00 0.00 H new ATOM 308 N VAL A 21 -1.552 -4.850 9.095 1.00 0.00 N ATOM 309 CA VAL A 21 -0.252 -5.505 9.007 1.00 0.00 C ATOM 310 C VAL A 21 0.887 -4.502 9.163 1.00 0.00 C ATOM 311 O VAL A 21 0.788 -3.360 8.716 1.00 0.00 O ATOM 312 CB VAL A 21 -0.086 -6.249 7.669 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.101 -7.376 7.555 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.216 -5.285 6.499 1.00 0.00 C ATOM 0 H VAL A 21 -1.564 -3.885 8.765 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.209 -6.226 9.824 1.00 0.00 H new ATOM 0 HB VAL A 21 0.913 -6.685 7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.968 -7.890 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.954 -8.082 8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.109 -6.965 7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.096 -5.830 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.200 -4.816 6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.554 -4.517 6.573 1.00 0.00 H new ATOM 324 N GLU A 22 1.967 -4.941 9.801 1.00 0.00 N ATOM 325 CA GLU A 22 3.129 -4.087 10.018 1.00 0.00 C ATOM 326 C GLU A 22 3.835 -3.780 8.702 1.00 0.00 C ATOM 327 O GLU A 22 3.400 -4.216 7.636 1.00 0.00 O ATOM 328 CB GLU A 22 4.105 -4.759 10.985 1.00 0.00 C ATOM 329 CG GLU A 22 4.607 -6.110 10.500 1.00 0.00 C ATOM 330 CD GLU A 22 6.092 -6.300 10.739 1.00 0.00 C ATOM 331 OE1 GLU A 22 6.840 -5.303 10.651 1.00 0.00 O ATOM 332 OE2 GLU A 22 6.508 -7.445 11.014 1.00 0.00 O ATOM 0 H GLU A 22 2.062 -5.884 10.177 1.00 0.00 H new ATOM 0 HA GLU A 22 2.782 -3.149 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.958 -4.099 11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.616 -4.887 11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.057 -6.902 11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.398 -6.210 9.435 1.00 0.00 H new ATOM 339 N ASP A 23 4.928 -3.028 8.784 1.00 0.00 N ATOM 340 CA ASP A 23 5.697 -2.664 7.600 1.00 0.00 C ATOM 341 C ASP A 23 6.211 -3.910 6.885 1.00 0.00 C ATOM 342 O ASP A 23 6.827 -4.780 7.499 1.00 0.00 O ATOM 343 CB ASP A 23 6.871 -1.762 7.985 1.00 0.00 C ATOM 344 CG ASP A 23 6.450 -0.620 8.888 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.151 -0.878 10.073 1.00 0.00 O ATOM 346 OD2 ASP A 23 6.422 0.534 8.411 1.00 0.00 O ATOM 0 H ASP A 23 5.301 -2.659 9.659 1.00 0.00 H new ATOM 0 HA ASP A 23 5.039 -2.121 6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.633 -2.357 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.327 -1.358 7.081 1.00 0.00 H new ATOM 351 N GLY A 24 5.951 -3.988 5.584 1.00 0.00 N ATOM 352 CA GLY A 24 6.394 -5.132 4.808 1.00 0.00 C ATOM 353 C GLY A 24 5.589 -6.382 5.110 1.00 0.00 C ATOM 354 O GLY A 24 6.081 -7.499 4.948 1.00 0.00 O ATOM 0 H GLY A 24 5.442 -3.281 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.315 -4.900 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.447 -5.322 5.015 1.00 0.00 H new ATOM 358 N GLY A 25 4.349 -6.194 5.550 1.00 0.00 N ATOM 359 CA GLY A 25 3.495 -7.323 5.868 1.00 0.00 C ATOM 360 C GLY A 25 3.088 -8.109 4.637 1.00 0.00 C ATOM 361 O GLY A 25 2.351 -7.607 3.788 1.00 0.00 O ATOM 0 H GLY A 25 3.920 -5.279 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.015 -7.984 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.601 -6.965 6.379 1.00 0.00 H new ATOM 365 N HIS A 26 3.568 -9.344 4.540 1.00 0.00 N ATOM 366 CA HIS A 26 3.251 -10.202 3.404 1.00 0.00 C ATOM 367 C HIS A 26 1.753 -10.484 3.334 1.00 0.00 C ATOM 368 O HIS A 26 1.162 -10.992 4.288 1.00 0.00 O ATOM 369 CB HIS A 26 4.025 -11.518 3.501 1.00 0.00 C ATOM 370 CG HIS A 26 3.711 -12.308 4.733 1.00 0.00 C ATOM 371 ND1 HIS A 26 2.735 -13.281 4.776 1.00 0.00 N ATOM 372 CD2 HIS A 26 4.251 -12.266 5.975 1.00 0.00 C ATOM 373 CE1 HIS A 26 2.687 -13.802 5.989 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.597 -13.204 6.735 1.00 0.00 N ATOM 0 H HIS A 26 4.179 -9.774 5.235 1.00 0.00 H new ATOM 0 HA HIS A 26 3.546 -9.680 2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.804 -12.126 2.624 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.094 -11.304 3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.047 -11.616 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.017 -14.584 6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.784 -13.406 7.717 1.00 0.00 H new ATOM 383 N VAL A 27 1.145 -10.153 2.199 1.00 0.00 N ATOM 384 CA VAL A 27 -0.283 -10.373 2.005 1.00 0.00 C ATOM 385 C VAL A 27 -0.593 -10.730 0.554 1.00 0.00 C ATOM 386 O VAL A 27 -0.034 -10.142 -0.372 1.00 0.00 O ATOM 387 CB VAL A 27 -1.103 -9.130 2.403 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.913 -8.815 3.879 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.718 -7.936 1.542 1.00 0.00 C ATOM 0 H VAL A 27 1.619 -9.732 1.400 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.564 -11.206 2.649 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.158 -9.345 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.499 -7.935 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.244 -9.663 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.141 -8.621 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.308 -7.069 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.341 -7.717 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.912 -8.166 0.494 1.00 0.00 H new ATOM 399 N GLU A 28 -1.486 -11.695 0.364 1.00 0.00 N ATOM 400 CA GLU A 28 -1.869 -12.128 -0.975 1.00 0.00 C ATOM 401 C GLU A 28 -2.964 -11.231 -1.546 1.00 0.00 C ATOM 402 O GLU A 28 -3.646 -10.521 -0.806 1.00 0.00 O ATOM 403 CB GLU A 28 -2.342 -13.584 -0.949 1.00 0.00 C ATOM 404 CG GLU A 28 -3.690 -13.777 -0.271 1.00 0.00 C ATOM 405 CD GLU A 28 -3.632 -14.769 0.875 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.983 -15.824 0.715 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.236 -14.490 1.932 1.00 0.00 O ATOM 0 H GLU A 28 -1.958 -12.192 1.119 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.993 -12.052 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.403 -13.955 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.596 -14.190 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.045 -12.817 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.417 -14.121 -1.007 1.00 0.00 H new ATOM 414 N ALA A 29 -3.127 -11.270 -2.865 1.00 0.00 N ATOM 415 CA ALA A 29 -4.141 -10.462 -3.539 1.00 0.00 C ATOM 416 C ALA A 29 -5.496 -10.577 -2.847 1.00 0.00 C ATOM 417 O ALA A 29 -5.967 -11.678 -2.562 1.00 0.00 O ATOM 418 CB ALA A 29 -4.257 -10.874 -4.999 1.00 0.00 C ATOM 0 H ALA A 29 -2.570 -11.853 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.827 -9.419 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.016 -10.265 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.298 -10.728 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.541 -11.925 -5.059 1.00 0.00 H new ATOM 424 N GLY A 30 -6.119 -9.434 -2.581 1.00 0.00 N ATOM 425 CA GLY A 30 -7.414 -9.430 -1.926 1.00 0.00 C ATOM 426 C GLY A 30 -7.305 -9.260 -0.423 1.00 0.00 C ATOM 427 O GLY A 30 -8.239 -8.783 0.223 1.00 0.00 O ATOM 0 H GLY A 30 -5.750 -8.510 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.022 -8.624 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.932 -10.364 -2.146 1.00 0.00 H new ATOM 431 N SER A 31 -6.164 -9.650 0.137 1.00 0.00 N ATOM 432 CA SER A 31 -5.940 -9.539 1.573 1.00 0.00 C ATOM 433 C SER A 31 -5.752 -8.082 1.982 1.00 0.00 C ATOM 434 O SER A 31 -4.922 -7.370 1.418 1.00 0.00 O ATOM 435 CB SER A 31 -4.714 -10.357 1.983 1.00 0.00 C ATOM 436 OG SER A 31 -4.469 -10.247 3.374 1.00 0.00 O ATOM 0 H SER A 31 -5.380 -10.046 -0.383 1.00 0.00 H new ATOM 0 HA SER A 31 -6.819 -9.932 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.867 -11.404 1.719 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.841 -10.012 1.429 1.00 0.00 H new ATOM 0 HG SER A 31 -3.682 -10.780 3.611 1.00 0.00 H new ATOM 442 N SER A 32 -6.529 -7.645 2.968 1.00 0.00 N ATOM 443 CA SER A 32 -6.447 -6.272 3.452 1.00 0.00 C ATOM 444 C SER A 32 -5.108 -6.017 4.135 1.00 0.00 C ATOM 445 O SER A 32 -4.613 -6.857 4.887 1.00 0.00 O ATOM 446 CB SER A 32 -7.592 -5.982 4.424 1.00 0.00 C ATOM 447 OG SER A 32 -7.965 -7.149 5.136 1.00 0.00 O ATOM 0 H SER A 32 -7.221 -8.221 3.447 1.00 0.00 H new ATOM 0 HA SER A 32 -6.531 -5.605 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.289 -5.205 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.451 -5.597 3.874 1.00 0.00 H new ATOM 0 HG SER A 32 -8.697 -6.937 5.752 1.00 0.00 H new ATOM 453 N TYR A 33 -4.525 -4.854 3.865 1.00 0.00 N ATOM 454 CA TYR A 33 -3.240 -4.488 4.453 1.00 0.00 C ATOM 455 C TYR A 33 -3.376 -3.287 5.388 1.00 0.00 C ATOM 456 O TYR A 33 -2.462 -2.982 6.154 1.00 0.00 O ATOM 457 CB TYR A 33 -2.222 -4.181 3.351 1.00 0.00 C ATOM 458 CG TYR A 33 -2.520 -2.913 2.581 1.00 0.00 C ATOM 459 CD1 TYR A 33 -2.035 -1.686 3.015 1.00 0.00 C ATOM 460 CD2 TYR A 33 -3.285 -2.945 1.422 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.305 -0.525 2.316 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.558 -1.788 0.717 1.00 0.00 C ATOM 463 CZ TYR A 33 -3.066 -0.581 1.168 1.00 0.00 C ATOM 464 OH TYR A 33 -3.335 0.572 0.468 1.00 0.00 O ATOM 0 H TYR A 33 -4.921 -4.149 3.243 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.889 -5.336 5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.231 -4.100 3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.190 -5.019 2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.437 -1.639 3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.672 -3.888 1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.922 0.422 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.154 -1.829 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.186 0.474 -0.009 1.00 0.00 H new ATOM 474 N ALA A 34 -4.518 -2.607 5.322 1.00 0.00 N ATOM 475 CA ALA A 34 -4.763 -1.442 6.163 1.00 0.00 C ATOM 476 C ALA A 34 -6.204 -0.964 6.028 1.00 0.00 C ATOM 477 O ALA A 34 -7.042 -1.648 5.442 1.00 0.00 O ATOM 478 CB ALA A 34 -3.799 -0.321 5.805 1.00 0.00 C ATOM 0 H ALA A 34 -5.287 -2.844 4.695 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.598 -1.731 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.993 0.543 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.774 -0.660 5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.938 -0.041 4.761 1.00 0.00 H new ATOM 484 N GLU A 35 -6.484 0.214 6.574 1.00 0.00 N ATOM 485 CA GLU A 35 -7.824 0.783 6.515 1.00 0.00 C ATOM 486 C GLU A 35 -7.761 2.302 6.401 1.00 0.00 C ATOM 487 O GLU A 35 -6.721 2.910 6.652 1.00 0.00 O ATOM 488 CB GLU A 35 -8.624 0.391 7.759 1.00 0.00 C ATOM 489 CG GLU A 35 -8.930 -1.096 7.845 1.00 0.00 C ATOM 490 CD GLU A 35 -9.329 -1.529 9.242 1.00 0.00 C ATOM 491 OE1 GLU A 35 -8.470 -1.479 10.147 1.00 0.00 O ATOM 492 OE2 GLU A 35 -10.501 -1.917 9.431 1.00 0.00 O ATOM 0 H GLU A 35 -5.801 0.793 7.062 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.322 0.386 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.068 0.690 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.561 0.947 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.734 -1.339 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.054 -1.662 7.529 1.00 0.00 H new ATOM 499 N MET A 36 -8.880 2.909 6.023 1.00 0.00 N ATOM 500 CA MET A 36 -8.948 4.357 5.879 1.00 0.00 C ATOM 501 C MET A 36 -10.368 4.862 6.117 1.00 0.00 C ATOM 502 O MET A 36 -11.302 4.469 5.418 1.00 0.00 O ATOM 503 CB MET A 36 -8.471 4.777 4.487 1.00 0.00 C ATOM 504 CG MET A 36 -9.360 4.275 3.361 1.00 0.00 C ATOM 505 SD MET A 36 -8.433 3.889 1.864 1.00 0.00 S ATOM 506 CE MET A 36 -9.745 3.889 0.644 1.00 0.00 C ATOM 0 H MET A 36 -9.751 2.422 5.811 1.00 0.00 H new ATOM 0 HA MET A 36 -8.293 4.802 6.628 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.422 5.865 4.442 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.458 4.405 4.332 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.893 3.384 3.694 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.112 5.030 3.133 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.567 3.095 -0.081 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.702 3.721 1.139 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.765 4.851 0.131 1.00 0.00 H new ATOM 516 N GLU A 37 -10.521 5.733 7.108 1.00 0.00 N ATOM 517 CA GLU A 37 -11.826 6.292 7.439 1.00 0.00 C ATOM 518 C GLU A 37 -12.088 7.571 6.651 1.00 0.00 C ATOM 519 O GLU A 37 -11.549 8.631 6.970 1.00 0.00 O ATOM 520 CB GLU A 37 -11.916 6.576 8.939 1.00 0.00 C ATOM 521 CG GLU A 37 -13.331 6.847 9.423 1.00 0.00 C ATOM 522 CD GLU A 37 -13.420 6.957 10.933 1.00 0.00 C ATOM 523 OE1 GLU A 37 -12.733 6.178 11.626 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.176 7.823 11.422 1.00 0.00 O ATOM 0 H GLU A 37 -9.757 6.067 7.696 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.586 5.559 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.510 5.725 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.289 7.436 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.694 7.771 8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.987 6.047 9.081 1.00 0.00 H new ATOM 531 N VAL A 38 -12.921 7.463 5.622 1.00 0.00 N ATOM 532 CA VAL A 38 -13.261 8.609 4.788 1.00 0.00 C ATOM 533 C VAL A 38 -14.511 9.309 5.319 1.00 0.00 C ATOM 534 O VAL A 38 -15.216 8.769 6.172 1.00 0.00 O ATOM 535 CB VAL A 38 -13.484 8.180 3.320 1.00 0.00 C ATOM 536 CG1 VAL A 38 -14.684 7.253 3.203 1.00 0.00 C ATOM 537 CG2 VAL A 38 -13.649 9.393 2.418 1.00 0.00 C ATOM 0 H VAL A 38 -13.374 6.592 5.345 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.423 9.305 4.823 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.600 7.633 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.821 6.965 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.515 6.361 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.577 7.768 3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.805 9.064 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.509 9.976 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.752 10.010 2.470 1.00 0.00 H new ATOM 547 N MET A 39 -14.779 10.514 4.823 1.00 0.00 N ATOM 548 CA MET A 39 -15.940 11.280 5.265 1.00 0.00 C ATOM 549 C MET A 39 -17.230 10.482 5.087 1.00 0.00 C ATOM 550 O MET A 39 -18.213 10.713 5.791 1.00 0.00 O ATOM 551 CB MET A 39 -16.033 12.598 4.493 1.00 0.00 C ATOM 552 CG MET A 39 -14.704 13.325 4.369 1.00 0.00 C ATOM 553 SD MET A 39 -14.891 15.118 4.373 1.00 0.00 S ATOM 554 CE MET A 39 -13.800 15.575 3.028 1.00 0.00 C ATOM 0 H MET A 39 -14.209 10.980 4.117 1.00 0.00 H new ATOM 0 HA MET A 39 -15.814 11.494 6.326 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.423 12.398 3.495 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.750 13.251 4.990 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.054 13.029 5.193 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.210 13.017 3.447 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.807 16.658 2.906 1.00 0.00 H new ATOM 0 HE2 MET A 39 -12.787 15.242 3.252 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.141 15.103 2.106 1.00 0.00 H new ATOM 564 N LYS A 40 -17.219 9.541 4.150 1.00 0.00 N ATOM 565 CA LYS A 40 -18.390 8.711 3.894 1.00 0.00 C ATOM 566 C LYS A 40 -18.530 7.635 4.967 1.00 0.00 C ATOM 567 O LYS A 40 -19.371 7.740 5.860 1.00 0.00 O ATOM 568 CB LYS A 40 -18.291 8.062 2.512 1.00 0.00 C ATOM 569 CG LYS A 40 -18.737 8.973 1.379 1.00 0.00 C ATOM 570 CD LYS A 40 -17.578 9.788 0.831 1.00 0.00 C ATOM 571 CE LYS A 40 -16.599 8.917 0.060 1.00 0.00 C ATOM 572 NZ LYS A 40 -16.884 8.922 -1.402 1.00 0.00 N ATOM 0 H LYS A 40 -16.415 9.334 3.557 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.274 9.349 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.260 7.756 2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.899 7.157 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.172 8.374 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.518 9.644 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.960 10.573 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.059 10.282 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.583 9.272 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.648 7.895 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.195 8.317 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.844 8.559 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.812 9.893 -1.766 1.00 0.00 H new ATOM 586 N MET A 41 -17.698 6.603 4.873 1.00 0.00 N ATOM 587 CA MET A 41 -17.722 5.508 5.835 1.00 0.00 C ATOM 588 C MET A 41 -16.343 4.865 5.957 1.00 0.00 C ATOM 589 O MET A 41 -15.376 5.330 5.355 1.00 0.00 O ATOM 590 CB MET A 41 -18.754 4.458 5.418 1.00 0.00 C ATOM 591 CG MET A 41 -19.545 3.887 6.583 1.00 0.00 C ATOM 592 SD MET A 41 -21.228 3.434 6.125 1.00 0.00 S ATOM 593 CE MET A 41 -20.947 1.860 5.318 1.00 0.00 C ATOM 0 H MET A 41 -16.997 6.502 4.139 1.00 0.00 H new ATOM 0 HA MET A 41 -18.002 5.914 6.807 1.00 0.00 H new ATOM 0 HB2 MET A 41 -19.446 4.904 4.704 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.244 3.644 4.902 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.029 3.009 6.971 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.577 4.620 7.389 1.00 0.00 H new ATOM 0 HE1 MET A 41 -21.898 1.451 4.977 1.00 0.00 H new ATOM 0 HE2 MET A 41 -20.286 2.002 4.463 1.00 0.00 H new ATOM 0 HE3 MET A 41 -20.486 1.167 6.022 1.00 0.00 H new ATOM 603 N ILE A 42 -16.261 3.792 6.736 1.00 0.00 N ATOM 604 CA ILE A 42 -15.001 3.084 6.932 1.00 0.00 C ATOM 605 C ILE A 42 -14.736 2.118 5.781 1.00 0.00 C ATOM 606 O ILE A 42 -15.667 1.552 5.207 1.00 0.00 O ATOM 607 CB ILE A 42 -14.998 2.302 8.262 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.657 1.592 8.467 1.00 0.00 C ATOM 609 CG2 ILE A 42 -16.143 1.300 8.290 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.469 2.529 8.472 1.00 0.00 C ATOM 0 H ILE A 42 -17.052 3.393 7.242 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.211 3.835 6.963 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.138 3.010 9.079 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.684 1.048 9.411 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.523 0.853 7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.128 0.756 9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.091 1.828 8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.031 0.597 7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.554 1.956 8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.416 3.054 7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.580 3.253 9.279 1.00 0.00 H new ATOM 622 N MET A 43 -13.463 1.934 5.446 1.00 0.00 N ATOM 623 CA MET A 43 -13.082 1.037 4.362 1.00 0.00 C ATOM 624 C MET A 43 -11.759 0.340 4.664 1.00 0.00 C ATOM 625 O MET A 43 -11.003 0.770 5.535 1.00 0.00 O ATOM 626 CB MET A 43 -12.975 1.811 3.046 1.00 0.00 C ATOM 627 CG MET A 43 -14.311 2.021 2.353 1.00 0.00 C ATOM 628 SD MET A 43 -14.795 0.612 1.337 1.00 0.00 S ATOM 629 CE MET A 43 -15.241 1.434 -0.190 1.00 0.00 C ATOM 0 H MET A 43 -12.679 2.394 5.909 1.00 0.00 H new ATOM 0 HA MET A 43 -13.856 0.276 4.268 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.520 2.782 3.241 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.306 1.275 2.372 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.080 2.204 3.103 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.256 2.913 1.728 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.563 0.693 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.054 2.135 -0.002 1.00 0.00 H new ATOM 0 HE3 MET A 43 -14.378 1.975 -0.578 1.00 0.00 H new ATOM 639 N THR A 44 -11.487 -0.739 3.935 1.00 0.00 N ATOM 640 CA THR A 44 -10.256 -1.499 4.121 1.00 0.00 C ATOM 641 C THR A 44 -9.434 -1.524 2.836 1.00 0.00 C ATOM 642 O THR A 44 -9.963 -1.783 1.755 1.00 0.00 O ATOM 643 CB THR A 44 -10.573 -2.931 4.562 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.920 -3.041 4.985 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.696 -3.416 5.696 1.00 0.00 C ATOM 0 H THR A 44 -12.103 -1.106 3.210 1.00 0.00 H new ATOM 0 HA THR A 44 -9.672 -1.008 4.899 1.00 0.00 H new ATOM 0 HB THR A 44 -10.383 -3.550 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.102 -3.964 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.973 -4.437 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.652 -3.392 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.831 -2.769 6.563 1.00 0.00 H new ATOM 653 N LEU A 45 -8.139 -1.258 2.962 1.00 0.00 N ATOM 654 CA LEU A 45 -7.245 -1.255 1.810 1.00 0.00 C ATOM 655 C LEU A 45 -6.607 -2.627 1.622 1.00 0.00 C ATOM 656 O LEU A 45 -6.107 -3.225 2.574 1.00 0.00 O ATOM 657 CB LEU A 45 -6.159 -0.192 1.981 1.00 0.00 C ATOM 658 CG LEU A 45 -6.675 1.235 2.177 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.838 1.544 3.657 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.735 2.236 1.523 1.00 0.00 C ATOM 0 H LEU A 45 -7.685 -1.042 3.849 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.833 -1.019 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.542 -0.460 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.512 -0.211 1.104 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.651 1.317 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.206 2.563 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.550 0.847 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.875 1.444 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.118 3.246 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.745 2.153 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.668 2.028 0.455 1.00 0.00 H new ATOM 672 N ASN A 46 -6.631 -3.123 0.389 1.00 0.00 N ATOM 673 CA ASN A 46 -6.057 -4.427 0.081 1.00 0.00 C ATOM 674 C ASN A 46 -5.118 -4.342 -1.118 1.00 0.00 C ATOM 675 O ASN A 46 -5.046 -3.315 -1.793 1.00 0.00 O ATOM 676 CB ASN A 46 -7.167 -5.442 -0.198 1.00 0.00 C ATOM 677 CG ASN A 46 -8.058 -5.022 -1.349 1.00 0.00 C ATOM 678 OD1 ASN A 46 -7.935 -5.532 -2.463 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.963 -4.086 -1.086 1.00 0.00 N ATOM 0 H ASN A 46 -7.041 -2.642 -0.412 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.481 -4.755 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.721 -6.411 -0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.773 -5.569 0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.591 -3.763 -1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.030 -3.691 -0.148 1.00 0.00 H new ATOM 686 N VAL A 47 -4.400 -5.430 -1.375 1.00 0.00 N ATOM 687 CA VAL A 47 -3.463 -5.483 -2.491 1.00 0.00 C ATOM 688 C VAL A 47 -4.119 -6.076 -3.733 1.00 0.00 C ATOM 689 O VAL A 47 -5.071 -6.850 -3.635 1.00 0.00 O ATOM 690 CB VAL A 47 -2.217 -6.317 -2.137 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.432 -5.653 -1.017 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.614 -7.734 -1.752 1.00 0.00 C ATOM 0 H VAL A 47 -4.449 -6.288 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.160 -4.457 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.576 -6.371 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.555 -6.256 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.114 -4.660 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.063 -5.567 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.721 -8.308 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.276 -7.704 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.130 -8.207 -2.588 1.00 0.00 H new ATOM 702 N GLN A 48 -3.603 -5.708 -4.902 1.00 0.00 N ATOM 703 CA GLN A 48 -4.138 -6.206 -6.164 1.00 0.00 C ATOM 704 C GLN A 48 -3.515 -7.551 -6.536 1.00 0.00 C ATOM 705 O GLN A 48 -4.055 -8.288 -7.361 1.00 0.00 O ATOM 706 CB GLN A 48 -3.904 -5.186 -7.285 1.00 0.00 C ATOM 707 CG GLN A 48 -2.454 -5.076 -7.736 1.00 0.00 C ATOM 708 CD GLN A 48 -1.631 -4.170 -6.842 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.789 -4.770 -6.007 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -1.748 -2.946 -6.901 1.00 0.00 N flip ATOM 0 H GLN A 48 -2.816 -5.067 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.211 -6.352 -6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.520 -5.458 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.243 -4.207 -6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.006 -6.070 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.423 -4.697 -8.758 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.407 -2.528 -7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.186 -2.350 -6.294 1.00 0.00 H new ATOM 719 N GLU A 49 -2.375 -7.866 -5.924 1.00 0.00 N ATOM 720 CA GLU A 49 -1.685 -9.121 -6.197 1.00 0.00 C ATOM 721 C GLU A 49 -0.839 -9.549 -5.002 1.00 0.00 C ATOM 722 O GLU A 49 -0.724 -8.820 -4.017 1.00 0.00 O ATOM 723 CB GLU A 49 -0.801 -8.982 -7.438 1.00 0.00 C ATOM 724 CG GLU A 49 -1.579 -8.997 -8.744 1.00 0.00 C ATOM 725 CD GLU A 49 -2.339 -10.292 -8.954 1.00 0.00 C ATOM 726 OE1 GLU A 49 -1.881 -11.338 -8.446 1.00 0.00 O ATOM 727 OE2 GLU A 49 -3.391 -10.261 -9.626 1.00 0.00 O ATOM 0 H GLU A 49 -1.912 -7.270 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.438 -9.888 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.238 -8.051 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.074 -9.794 -7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.280 -8.163 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.890 -8.845 -9.575 1.00 0.00 H new ATOM 734 N ARG A 50 -0.251 -10.736 -5.097 1.00 0.00 N ATOM 735 CA ARG A 50 0.584 -11.265 -4.024 1.00 0.00 C ATOM 736 C ARG A 50 1.873 -10.462 -3.888 1.00 0.00 C ATOM 737 O ARG A 50 2.463 -10.042 -4.884 1.00 0.00 O ATOM 738 CB ARG A 50 0.911 -12.737 -4.284 1.00 0.00 C ATOM 739 CG ARG A 50 -0.251 -13.677 -4.004 1.00 0.00 C ATOM 740 CD ARG A 50 -1.226 -13.719 -5.169 1.00 0.00 C ATOM 741 NE ARG A 50 -0.589 -14.176 -6.402 1.00 0.00 N ATOM 742 CZ ARG A 50 -1.221 -14.281 -7.568 1.00 0.00 C ATOM 743 NH1 ARG A 50 -2.506 -13.964 -7.665 1.00 0.00 N ATOM 744 NH2 ARG A 50 -0.567 -14.705 -8.641 1.00 0.00 N ATOM 0 H ARG A 50 -0.337 -11.351 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 50 0.027 -11.182 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.220 -12.854 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.760 -13.027 -3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.129 -14.680 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.773 -13.354 -3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.056 -14.381 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.647 -12.726 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 50 0.398 -14.429 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.014 -13.638 -6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.985 -14.046 -8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.421 -14.951 -8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.052 -14.785 -9.535 1.00 0.00 H new ATOM 758 N GLY A 51 2.306 -10.254 -2.649 1.00 0.00 N ATOM 759 CA GLY A 51 3.524 -9.503 -2.405 1.00 0.00 C ATOM 760 C GLY A 51 3.576 -8.921 -1.006 1.00 0.00 C ATOM 761 O GLY A 51 2.612 -9.024 -0.247 1.00 0.00 O ATOM 0 H GLY A 51 1.835 -10.592 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.385 -10.154 -2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.602 -8.696 -3.134 1.00 0.00 H new ATOM 765 N ARG A 52 4.704 -8.306 -0.665 1.00 0.00 N ATOM 766 CA ARG A 52 4.877 -7.704 0.652 1.00 0.00 C ATOM 767 C ARG A 52 4.526 -6.221 0.619 1.00 0.00 C ATOM 768 O ARG A 52 5.119 -5.449 -0.134 1.00 0.00 O ATOM 769 CB ARG A 52 6.316 -7.892 1.137 1.00 0.00 C ATOM 770 CG ARG A 52 6.516 -9.140 1.980 1.00 0.00 C ATOM 771 CD ARG A 52 6.870 -10.342 1.119 1.00 0.00 C ATOM 772 NE ARG A 52 8.120 -10.143 0.389 1.00 0.00 N ATOM 773 CZ ARG A 52 9.327 -10.286 0.932 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.451 -10.627 2.209 1.00 0.00 N ATOM 775 NH2 ARG A 52 10.413 -10.087 0.198 1.00 0.00 N ATOM 0 H ARG A 52 5.511 -8.212 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 52 4.201 -8.203 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.979 -7.937 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.611 -7.019 1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.309 -8.966 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.607 -9.350 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.955 -11.227 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.063 -10.531 0.411 1.00 0.00 H new ATOM 0 HE ARG A 52 8.064 -9.879 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.619 -10.781 2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.378 -10.735 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.324 -9.824 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.337 -10.197 0.615 1.00 0.00 H new ATOM 789 N VAL A 53 3.556 -5.830 1.439 1.00 0.00 N ATOM 790 CA VAL A 53 3.123 -4.439 1.502 1.00 0.00 C ATOM 791 C VAL A 53 4.045 -3.614 2.393 1.00 0.00 C ATOM 792 O VAL A 53 4.276 -3.957 3.552 1.00 0.00 O ATOM 793 CB VAL A 53 1.680 -4.324 2.029 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.199 -2.882 1.968 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.751 -5.235 1.243 1.00 0.00 C ATOM 0 H VAL A 53 3.055 -6.457 2.069 1.00 0.00 H new ATOM 0 HA VAL A 53 3.163 -4.050 0.485 1.00 0.00 H new ATOM 0 HB VAL A 53 1.669 -4.642 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.178 -2.823 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.848 -2.256 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.226 -2.533 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.264 -5.140 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.767 -4.950 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.083 -6.268 1.344 1.00 0.00 H new ATOM 805 N LYS A 54 4.563 -2.521 1.845 1.00 0.00 N ATOM 806 CA LYS A 54 5.455 -1.640 2.589 1.00 0.00 C ATOM 807 C LYS A 54 4.813 -0.271 2.787 1.00 0.00 C ATOM 808 O LYS A 54 4.658 0.495 1.838 1.00 0.00 O ATOM 809 CB LYS A 54 6.790 -1.492 1.857 1.00 0.00 C ATOM 810 CG LYS A 54 7.791 -2.586 2.190 1.00 0.00 C ATOM 811 CD LYS A 54 9.079 -2.422 1.399 1.00 0.00 C ATOM 812 CE LYS A 54 10.259 -3.055 2.118 1.00 0.00 C ATOM 813 NZ LYS A 54 10.129 -4.536 2.202 1.00 0.00 N ATOM 0 H LYS A 54 4.380 -2.223 0.887 1.00 0.00 H new ATOM 0 HA LYS A 54 5.637 -2.084 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.608 -1.493 0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.226 -0.524 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.013 -2.565 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.352 -3.560 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.964 -2.878 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.276 -1.362 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.181 -2.801 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.337 -2.640 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.953 -4.929 2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.262 -4.779 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.080 -4.935 1.243 1.00 0.00 H new ATOM 827 N TYR A 55 4.435 0.024 4.026 1.00 0.00 N ATOM 828 CA TYR A 55 3.800 1.297 4.351 1.00 0.00 C ATOM 829 C TYR A 55 4.685 2.477 3.959 1.00 0.00 C ATOM 830 O TYR A 55 5.890 2.476 4.214 1.00 0.00 O ATOM 831 CB TYR A 55 3.481 1.362 5.845 1.00 0.00 C ATOM 832 CG TYR A 55 2.146 0.750 6.205 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.758 -0.475 5.678 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.273 1.398 7.070 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.539 -1.038 6.003 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.052 0.842 7.400 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.310 -0.376 6.864 1.00 0.00 C ATOM 838 OH TYR A 55 -1.525 -0.932 7.189 1.00 0.00 O ATOM 0 H TYR A 55 4.557 -0.601 4.823 1.00 0.00 H new ATOM 0 HA TYR A 55 2.874 1.362 3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.268 0.849 6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.492 2.404 6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.420 -0.996 5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.553 2.352 7.491 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.253 -1.992 5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.615 1.358 8.074 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.538 -1.873 6.915 1.00 0.00 H new ATOM 848 N ILE A 56 4.074 3.486 3.347 1.00 0.00 N ATOM 849 CA ILE A 56 4.795 4.682 2.927 1.00 0.00 C ATOM 850 C ILE A 56 4.478 5.848 3.858 1.00 0.00 C ATOM 851 O ILE A 56 5.365 6.400 4.508 1.00 0.00 O ATOM 852 CB ILE A 56 4.448 5.064 1.463 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.358 4.317 0.484 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.564 6.568 1.241 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.432 2.826 0.731 1.00 0.00 C ATOM 0 H ILE A 56 3.077 3.499 3.130 1.00 0.00 H new ATOM 0 HA ILE A 56 5.861 4.463 2.979 1.00 0.00 H new ATOM 0 HB ILE A 56 3.414 4.772 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.002 4.490 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.362 4.736 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.315 6.803 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.876 7.088 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.584 6.889 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.095 2.368 -0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.818 2.642 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.436 2.392 0.640 1.00 0.00 H new ATOM 867 N LYS A 57 3.204 6.214 3.914 1.00 0.00 N ATOM 868 CA LYS A 57 2.756 7.310 4.761 1.00 0.00 C ATOM 869 C LYS A 57 2.795 6.911 6.234 1.00 0.00 C ATOM 870 O LYS A 57 2.965 5.738 6.565 1.00 0.00 O ATOM 871 CB LYS A 57 1.340 7.723 4.363 1.00 0.00 C ATOM 872 CG LYS A 57 1.257 9.119 3.766 1.00 0.00 C ATOM 873 CD LYS A 57 1.769 10.171 4.736 1.00 0.00 C ATOM 874 CE LYS A 57 1.541 11.577 4.204 1.00 0.00 C ATOM 875 NZ LYS A 57 0.121 11.802 3.818 1.00 0.00 N ATOM 0 H LYS A 57 2.460 5.765 3.380 1.00 0.00 H new ATOM 0 HA LYS A 57 3.430 8.155 4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.951 7.005 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.696 7.674 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.839 9.157 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.224 9.341 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.266 10.058 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.833 10.016 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.830 12.304 4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.183 11.747 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.180 12.745 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.028 11.740 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.479 11.078 4.263 1.00 0.00 H new ATOM 889 N ARG A 58 2.636 7.895 7.113 1.00 0.00 N ATOM 890 CA ARG A 58 2.652 7.645 8.550 1.00 0.00 C ATOM 891 C ARG A 58 1.238 7.413 9.078 1.00 0.00 C ATOM 892 O ARG A 58 0.256 7.713 8.399 1.00 0.00 O ATOM 893 CB ARG A 58 3.298 8.822 9.286 1.00 0.00 C ATOM 894 CG ARG A 58 4.772 8.611 9.595 1.00 0.00 C ATOM 895 CD ARG A 58 5.118 9.059 11.006 1.00 0.00 C ATOM 896 NE ARG A 58 5.067 10.512 11.147 1.00 0.00 N ATOM 897 CZ ARG A 58 4.979 11.140 12.317 1.00 0.00 C ATOM 898 NH1 ARG A 58 4.933 10.448 13.449 1.00 0.00 N ATOM 899 NH2 ARG A 58 4.938 12.465 12.356 1.00 0.00 N ATOM 0 H ARG A 58 2.495 8.872 6.856 1.00 0.00 H new ATOM 0 HA ARG A 58 3.240 6.745 8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.187 9.723 8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.761 8.996 10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.022 7.557 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.378 9.165 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.425 8.602 11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.116 8.705 11.264 1.00 0.00 H new ATOM 0 HE ARG A 58 5.101 11.078 10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.965 9.429 13.425 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.866 10.936 14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.974 13.002 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.871 12.947 13.252 1.00 0.00 H new ATOM 913 N PRO A 59 1.115 6.873 10.304 1.00 0.00 N ATOM 914 CA PRO A 59 -0.188 6.603 10.921 1.00 0.00 C ATOM 915 C PRO A 59 -0.944 7.885 11.253 1.00 0.00 C ATOM 916 O PRO A 59 -0.381 8.820 11.822 1.00 0.00 O ATOM 917 CB PRO A 59 0.172 5.846 12.202 1.00 0.00 C ATOM 918 CG PRO A 59 1.568 6.261 12.510 1.00 0.00 C ATOM 919 CD PRO A 59 2.235 6.487 11.182 1.00 0.00 C ATOM 0 HA PRO A 59 -0.847 6.046 10.255 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.506 6.102 13.016 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.103 4.768 12.057 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.581 7.169 13.113 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.087 5.491 13.081 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.991 7.271 11.239 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.735 5.587 10.824 1.00 0.00 H new ATOM 927 N GLY A 60 -2.223 7.921 10.893 1.00 0.00 N ATOM 928 CA GLY A 60 -3.037 9.092 11.159 1.00 0.00 C ATOM 929 C GLY A 60 -3.045 10.076 10.002 1.00 0.00 C ATOM 930 O GLY A 60 -3.962 10.887 9.877 1.00 0.00 O ATOM 0 H GLY A 60 -2.710 7.159 10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.059 8.778 11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.665 9.592 12.053 1.00 0.00 H new ATOM 934 N ALA A 61 -2.021 10.006 9.156 1.00 0.00 N ATOM 935 CA ALA A 61 -1.913 10.898 8.007 1.00 0.00 C ATOM 936 C ALA A 61 -3.149 10.810 7.117 1.00 0.00 C ATOM 937 O ALA A 61 -3.722 9.735 6.937 1.00 0.00 O ATOM 938 CB ALA A 61 -0.662 10.575 7.205 1.00 0.00 C ATOM 0 H ALA A 61 -1.254 9.340 9.245 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.842 11.919 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.594 11.248 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.218 10.700 7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.712 9.545 6.852 1.00 0.00 H new ATOM 944 N VAL A 62 -3.553 11.948 6.561 1.00 0.00 N ATOM 945 CA VAL A 62 -4.718 12.000 5.686 1.00 0.00 C ATOM 946 C VAL A 62 -4.379 11.490 4.289 1.00 0.00 C ATOM 947 O VAL A 62 -3.401 11.924 3.680 1.00 0.00 O ATOM 948 CB VAL A 62 -5.281 13.431 5.578 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.785 13.911 6.930 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.229 14.382 5.025 1.00 0.00 C ATOM 0 H VAL A 62 -3.090 12.846 6.701 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.476 11.355 6.131 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.123 13.417 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.178 14.923 6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.575 13.247 7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.964 13.908 7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.647 15.387 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.364 14.393 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.922 14.048 4.034 1.00 0.00 H new ATOM 960 N LEU A 63 -5.191 10.566 3.787 1.00 0.00 N ATOM 961 CA LEU A 63 -4.975 9.997 2.462 1.00 0.00 C ATOM 962 C LEU A 63 -5.579 10.889 1.382 1.00 0.00 C ATOM 963 O LEU A 63 -6.589 11.555 1.606 1.00 0.00 O ATOM 964 CB LEU A 63 -5.582 8.596 2.381 1.00 0.00 C ATOM 965 CG LEU A 63 -5.374 7.727 3.622 1.00 0.00 C ATOM 966 CD1 LEU A 63 -6.022 6.365 3.434 1.00 0.00 C ATOM 967 CD2 LEU A 63 -3.890 7.577 3.923 1.00 0.00 C ATOM 0 H LEU A 63 -6.005 10.195 4.278 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.900 9.930 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.652 8.691 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.155 8.081 1.520 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.849 8.218 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.864 5.760 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.092 6.491 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.576 5.865 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.759 6.956 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.392 7.108 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.454 8.560 4.101 1.00 0.00 H new ATOM 979 N GLU A 64 -4.953 10.896 0.210 1.00 0.00 N ATOM 980 CA GLU A 64 -5.429 11.704 -0.907 1.00 0.00 C ATOM 981 C GLU A 64 -5.673 10.839 -2.138 1.00 0.00 C ATOM 982 O GLU A 64 -4.990 9.837 -2.350 1.00 0.00 O ATOM 983 CB GLU A 64 -4.418 12.805 -1.234 1.00 0.00 C ATOM 984 CG GLU A 64 -3.884 13.526 -0.007 1.00 0.00 C ATOM 985 CD GLU A 64 -4.969 14.262 0.754 1.00 0.00 C ATOM 986 OE1 GLU A 64 -5.516 15.244 0.208 1.00 0.00 O ATOM 987 OE2 GLU A 64 -5.272 13.858 1.896 1.00 0.00 O ATOM 0 H GLU A 64 -4.115 10.351 0.009 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.374 12.163 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.582 12.368 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.887 13.532 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.407 12.804 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.115 14.235 -0.313 1.00 0.00 H new ATOM 994 N ALA A 65 -6.651 11.232 -2.948 1.00 0.00 N ATOM 995 CA ALA A 65 -6.984 10.491 -4.158 1.00 0.00 C ATOM 996 C ALA A 65 -5.802 10.455 -5.121 1.00 0.00 C ATOM 997 O ALA A 65 -5.592 11.388 -5.896 1.00 0.00 O ATOM 998 CB ALA A 65 -8.200 11.105 -4.835 1.00 0.00 C ATOM 0 H ALA A 65 -7.226 12.059 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.220 9.465 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.437 10.541 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.050 11.074 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.985 12.140 -5.100 1.00 0.00 H new ATOM 1004 N GLY A 66 -5.033 9.372 -5.066 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.882 9.235 -5.939 1.00 0.00 C ATOM 1006 C GLY A 66 -2.581 9.099 -5.171 1.00 0.00 C ATOM 1007 O GLY A 66 -1.598 8.572 -5.692 1.00 0.00 O ATOM 0 H GLY A 66 -5.186 8.587 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.016 8.361 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.823 10.103 -6.596 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.572 9.575 -3.929 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.381 9.502 -3.092 1.00 0.00 C ATOM 1013 C CYS A 67 -1.017 8.052 -2.788 1.00 0.00 C ATOM 1014 O CYS A 67 -1.890 7.190 -2.689 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.601 10.271 -1.787 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.936 11.953 -1.802 1.00 0.00 S ATOM 0 H CYS A 67 -3.376 10.015 -3.481 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.555 9.957 -3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.670 10.316 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.141 9.717 -0.969 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.172 12.523 -0.658 1.00 0.00 H new ATOM 1022 N VAL A 68 0.278 7.792 -2.643 1.00 0.00 N ATOM 1023 CA VAL A 68 0.759 6.447 -2.351 1.00 0.00 C ATOM 1024 C VAL A 68 0.645 6.131 -0.864 1.00 0.00 C ATOM 1025 O VAL A 68 1.415 6.640 -0.049 1.00 0.00 O ATOM 1026 CB VAL A 68 2.224 6.267 -2.791 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.643 4.809 -2.674 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.421 6.773 -4.212 1.00 0.00 C ATOM 0 H VAL A 68 1.013 8.495 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 68 0.130 5.758 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 68 2.857 6.857 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.681 4.702 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.543 4.484 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.006 4.195 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.462 6.638 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.777 6.213 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.165 7.831 -4.260 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.321 5.286 -0.516 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.536 4.901 0.874 1.00 0.00 C ATOM 1040 C VAL A 69 0.417 3.786 1.295 1.00 0.00 C ATOM 1041 O VAL A 69 0.691 3.608 2.482 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.985 4.434 1.115 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.929 5.624 1.166 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.416 3.445 0.042 1.00 0.00 C ATOM 0 H VAL A 69 -0.967 4.855 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.342 5.789 1.475 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.027 3.927 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.947 5.274 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.633 6.289 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.885 6.164 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.442 3.128 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.358 3.921 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.758 2.576 0.062 1.00 0.00 H new ATOM 1054 N ALA A 70 0.917 3.035 0.319 1.00 0.00 N ATOM 1055 CA ALA A 70 1.835 1.938 0.596 1.00 0.00 C ATOM 1056 C ALA A 70 2.526 1.463 -0.679 1.00 0.00 C ATOM 1057 O ALA A 70 2.504 2.151 -1.700 1.00 0.00 O ATOM 1058 CB ALA A 70 1.090 0.788 1.259 1.00 0.00 C ATOM 0 H ALA A 70 0.702 3.166 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 70 2.605 2.300 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.785 -0.027 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.650 1.131 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.301 0.435 0.595 1.00 0.00 H new ATOM 1064 N ARG A 71 3.141 0.286 -0.613 1.00 0.00 N ATOM 1065 CA ARG A 71 3.840 -0.276 -1.763 1.00 0.00 C ATOM 1066 C ARG A 71 3.637 -1.786 -1.839 1.00 0.00 C ATOM 1067 O ARG A 71 2.952 -2.373 -1.002 1.00 0.00 O ATOM 1068 CB ARG A 71 5.333 0.046 -1.685 1.00 0.00 C ATOM 1069 CG ARG A 71 5.690 1.417 -2.237 1.00 0.00 C ATOM 1070 CD ARG A 71 5.592 1.451 -3.754 1.00 0.00 C ATOM 1071 NE ARG A 71 6.907 1.536 -4.385 1.00 0.00 N ATOM 1072 CZ ARG A 71 7.607 2.663 -4.490 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.125 3.801 -4.005 1.00 0.00 N ATOM 1074 NH2 ARG A 71 8.794 2.653 -5.082 1.00 0.00 N ATOM 0 H ARG A 71 3.169 -0.296 0.224 1.00 0.00 H new ATOM 0 HA ARG A 71 3.424 0.174 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.655 -0.013 -0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.889 -0.714 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.023 2.166 -1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.702 1.681 -1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.079 0.555 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.987 2.305 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 71 7.312 0.682 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.213 3.815 -3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.667 4.661 -4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.170 1.782 -5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.331 3.516 -5.163 1.00 0.00 H new ATOM 1088 N LEU A 72 4.235 -2.408 -2.850 1.00 0.00 N ATOM 1089 CA LEU A 72 4.118 -3.848 -3.037 1.00 0.00 C ATOM 1090 C LEU A 72 5.433 -4.443 -3.532 1.00 0.00 C ATOM 1091 O LEU A 72 5.962 -4.034 -4.565 1.00 0.00 O ATOM 1092 CB LEU A 72 2.997 -4.160 -4.028 1.00 0.00 C ATOM 1093 CG LEU A 72 1.799 -4.902 -3.436 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.223 -6.262 -2.903 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.151 -4.075 -2.336 1.00 0.00 C ATOM 0 H LEU A 72 4.805 -1.936 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 72 3.880 -4.298 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.647 -3.224 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.408 -4.756 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 72 1.065 -5.058 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.357 -6.775 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.641 -6.857 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.976 -6.130 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.300 -4.618 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.878 -3.888 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.811 -3.125 -2.748 1.00 0.00 H new