USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 94 SER OG : rot 67:sc= 0.768 USER MOD Set 1.2: A 120 HIS : no HE2:sc= 0.0639 K(o=0.83,f=-9.2!) USER MOD Set 2.1: A 67 MET CE :methyl 156:sc= -0.0775 (180deg=-1.31) USER MOD Set 2.2: A 90 SER OG : rot -140:sc= 0 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 45 TYR OH : rot 25:sc= 1.33 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -133:sc= -0.0852 (180deg=-1.32) USER MOD Single : A 58 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.99) USER MOD Single : A 65 MET CE :methyl -159:sc= -0.29 (180deg=-0.908) USER MOD Single : A 70 SER OG : rot -54:sc= 1.8 USER MOD Single : A 72 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 74:sc= 0.789 USER MOD Single : A 95 TYR OH : rot -177:sc= 1.1 USER MOD Single : A 107 GLN : amide:sc= -0.719 K(o=-0.72,f=-7.4!) USER MOD Single : A 112 GLN :FLIP amide:sc= -1.75 F(o=-2.5,f=-1.8) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 124 LYS NZ :NH3+ -165:sc= -0.239 (180deg=-0.572) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.769 -11.164 0.955 1.00 0.00 N ATOM 101 CA LEU A 36 2.378 -11.123 0.545 1.00 0.00 C ATOM 102 C LEU A 36 2.023 -9.751 -0.008 1.00 0.00 C ATOM 103 O LEU A 36 2.790 -8.784 0.081 1.00 0.00 O ATOM 104 CB LEU A 36 1.454 -11.533 1.709 1.00 0.00 C ATOM 105 CG LEU A 36 1.660 -10.754 3.014 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.355 -9.253 2.942 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.881 -11.434 4.144 1.00 0.00 C ATOM 0 HA LEU A 36 2.228 -11.846 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.419 -11.409 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.601 -12.594 1.911 1.00 0.00 H new ATOM 0 HG LEU A 36 2.730 -10.788 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.533 -8.798 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.002 -8.785 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.313 -9.107 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.028 -10.880 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.180 -11.451 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.241 -12.455 4.271 1.00 0.00 H new ATOM 119 N PHE A 37 0.807 -9.679 -0.518 1.00 0.00 N ATOM 120 CA PHE A 37 0.234 -8.547 -1.224 1.00 0.00 C ATOM 121 C PHE A 37 -1.287 -8.688 -1.244 1.00 0.00 C ATOM 122 O PHE A 37 -1.824 -9.799 -1.255 1.00 0.00 O ATOM 123 CB PHE A 37 0.779 -8.506 -2.662 1.00 0.00 C ATOM 124 CG PHE A 37 0.614 -7.157 -3.329 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.583 -6.812 -3.984 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.660 -6.222 -3.267 1.00 0.00 C ATOM 127 CE1 PHE A 37 -0.740 -5.537 -4.547 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.507 -4.949 -3.832 1.00 0.00 C ATOM 129 CZ PHE A 37 0.307 -4.605 -4.473 1.00 0.00 C ATOM 0 H PHE A 37 0.152 -10.458 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 37 0.505 -7.620 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.836 -8.770 -2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.269 -9.263 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.385 -7.533 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.588 -6.486 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.665 -5.273 -5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.313 -4.232 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.189 -3.624 -4.909 1.00 0.00 H new ATOM 139 N TYR A 38 -1.992 -7.562 -1.280 1.00 0.00 N ATOM 140 CA TYR A 38 -3.443 -7.486 -1.210 1.00 0.00 C ATOM 141 C TYR A 38 -3.991 -6.380 -2.110 1.00 0.00 C ATOM 142 O TYR A 38 -3.238 -5.557 -2.630 1.00 0.00 O ATOM 143 CB TYR A 38 -3.780 -7.234 0.259 1.00 0.00 C ATOM 144 CG TYR A 38 -3.556 -8.451 1.127 1.00 0.00 C ATOM 145 CD1 TYR A 38 -4.412 -9.564 1.051 1.00 0.00 C ATOM 146 CD2 TYR A 38 -2.415 -8.510 1.937 1.00 0.00 C ATOM 147 CE1 TYR A 38 -4.152 -10.696 1.828 1.00 0.00 C ATOM 148 CE2 TYR A 38 -2.137 -9.653 2.700 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.016 -10.762 2.653 1.00 0.00 C ATOM 150 OH TYR A 38 -2.812 -11.901 3.368 1.00 0.00 O ATOM 0 H TYR A 38 -1.551 -6.646 -1.362 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.903 -8.407 -1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.170 -6.411 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.821 -6.922 0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.269 -9.544 0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.742 -7.666 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.834 -11.533 1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.255 -9.687 3.322 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.188 -12.664 2.882 1.00 0.00 H new ATOM 160 N THR A 39 -5.311 -6.314 -2.252 1.00 0.00 N ATOM 161 CA THR A 39 -6.024 -5.303 -3.028 1.00 0.00 C ATOM 162 C THR A 39 -7.251 -4.764 -2.266 1.00 0.00 C ATOM 163 O THR A 39 -7.764 -5.471 -1.381 1.00 0.00 O ATOM 164 CB THR A 39 -6.450 -5.895 -4.386 1.00 0.00 C ATOM 165 OG1 THR A 39 -7.528 -6.793 -4.203 1.00 0.00 O ATOM 166 CG2 THR A 39 -5.330 -6.641 -5.123 1.00 0.00 C ATOM 0 H THR A 39 -5.938 -6.988 -1.813 1.00 0.00 H new ATOM 0 HA THR A 39 -5.349 -4.463 -3.195 1.00 0.00 H new ATOM 0 HB THR A 39 -6.733 -5.041 -5.001 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.795 -7.164 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.711 -7.027 -6.069 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.503 -5.957 -5.317 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.979 -7.470 -4.508 1.00 0.00 H new ATOM 174 N PRO A 40 -7.766 -3.560 -2.607 1.00 0.00 N ATOM 175 CA PRO A 40 -9.081 -3.070 -2.209 1.00 0.00 C ATOM 176 C PRO A 40 -10.172 -3.921 -2.879 1.00 0.00 C ATOM 177 O PRO A 40 -10.749 -3.611 -3.920 1.00 0.00 O ATOM 178 CB PRO A 40 -9.163 -1.590 -2.614 1.00 0.00 C ATOM 179 CG PRO A 40 -7.769 -1.231 -3.108 1.00 0.00 C ATOM 180 CD PRO A 40 -7.124 -2.569 -3.445 1.00 0.00 C ATOM 0 HA PRO A 40 -9.234 -3.152 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.908 -1.436 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.453 -0.966 -1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.813 -0.581 -3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.202 -0.699 -2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.257 -2.809 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.051 -2.540 -3.258 1.00 0.00 H new ATOM 188 N GLY A 41 -10.393 -5.085 -2.311 1.00 0.00 N ATOM 189 CA GLY A 41 -11.312 -6.073 -2.799 1.00 0.00 C ATOM 190 C GLY A 41 -10.993 -7.347 -2.078 1.00 0.00 C ATOM 191 O GLY A 41 -11.761 -7.774 -1.226 1.00 0.00 O ATOM 0 H GLY A 41 -9.913 -5.376 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.342 -5.770 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.207 -6.201 -3.876 1.00 0.00 H new ATOM 195 N GLU A 42 -9.793 -7.878 -2.277 1.00 0.00 N ATOM 196 CA GLU A 42 -9.415 -9.107 -1.621 1.00 0.00 C ATOM 197 C GLU A 42 -9.387 -8.911 -0.075 1.00 0.00 C ATOM 198 O GLU A 42 -9.501 -9.890 0.656 1.00 0.00 O ATOM 199 CB GLU A 42 -8.090 -9.572 -2.261 1.00 0.00 C ATOM 200 CG GLU A 42 -8.212 -10.223 -3.636 1.00 0.00 C ATOM 201 CD GLU A 42 -6.846 -10.717 -4.133 1.00 0.00 C ATOM 202 OE1 GLU A 42 -6.282 -11.602 -3.447 1.00 0.00 O ATOM 203 OE2 GLU A 42 -6.357 -10.294 -5.201 1.00 0.00 O ATOM 0 H GLU A 42 -9.077 -7.476 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.142 -9.906 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.426 -8.711 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.610 -10.280 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.909 -11.059 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.624 -9.506 -4.346 1.00 0.00 H new ATOM 210 N ILE A 43 -9.260 -7.674 0.454 1.00 0.00 N ATOM 211 CA ILE A 43 -9.246 -7.339 1.896 1.00 0.00 C ATOM 212 C ILE A 43 -10.674 -7.366 2.475 1.00 0.00 C ATOM 213 O ILE A 43 -10.850 -7.369 3.693 1.00 0.00 O ATOM 214 CB ILE A 43 -8.514 -5.966 2.115 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.991 -6.141 1.882 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.743 -5.290 3.477 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.977 -5.352 2.714 1.00 0.00 C ATOM 0 H ILE A 43 -9.160 -6.848 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.683 -8.093 2.446 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.965 -5.295 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.765 -7.198 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.798 -5.907 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.190 -4.351 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.806 -5.090 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.395 -5.948 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.967 -5.614 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.137 -4.284 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.104 -5.595 3.769 1.00 0.00 H new ATOM 229 N LEU A 44 -11.689 -7.399 1.614 1.00 0.00 N ATOM 230 CA LEU A 44 -13.076 -7.093 1.933 1.00 0.00 C ATOM 231 C LEU A 44 -13.902 -8.336 1.625 1.00 0.00 C ATOM 232 O LEU A 44 -14.594 -8.867 2.491 1.00 0.00 O ATOM 233 CB LEU A 44 -13.564 -5.838 1.169 1.00 0.00 C ATOM 234 CG LEU A 44 -12.506 -4.757 0.849 1.00 0.00 C ATOM 235 CD1 LEU A 44 -13.015 -3.774 -0.198 1.00 0.00 C ATOM 236 CD2 LEU A 44 -12.035 -3.995 2.080 1.00 0.00 C ATOM 0 H LEU A 44 -11.558 -7.651 0.634 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.186 -6.845 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.009 -6.165 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.358 -5.373 1.753 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.647 -5.298 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.247 -3.027 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.250 -4.311 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.913 -3.280 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.294 -3.252 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.885 -3.496 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.589 -4.691 2.790 1.00 0.00 H new ATOM 248 N TYR A 45 -13.774 -8.821 0.394 1.00 0.00 N ATOM 249 CA TYR A 45 -14.359 -10.025 -0.153 1.00 0.00 C ATOM 250 C TYR A 45 -13.530 -11.207 0.365 1.00 0.00 C ATOM 251 O TYR A 45 -13.925 -11.834 1.345 1.00 0.00 O ATOM 252 CB TYR A 45 -14.386 -9.900 -1.689 1.00 0.00 C ATOM 253 CG TYR A 45 -15.268 -8.780 -2.240 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.910 -7.423 -2.095 1.00 0.00 C ATOM 255 CD2 TYR A 45 -16.458 -9.095 -2.918 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.724 -6.399 -2.608 1.00 0.00 C ATOM 257 CE2 TYR A 45 -17.274 -8.080 -3.446 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.910 -6.728 -3.297 1.00 0.00 C ATOM 259 OH TYR A 45 -17.701 -5.758 -3.829 1.00 0.00 O ATOM 0 H TYR A 45 -13.208 -8.334 -0.301 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.391 -10.184 0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.367 -9.744 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.727 -10.847 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.995 -7.167 -1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.749 -10.129 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.443 -5.365 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -18.184 -8.338 -3.968 1.00 0.00 H new ATOM 0 HH TYR A 45 -17.163 -4.958 -4.006 1.00 0.00 H new ATOM 269 N GLY A 46 -12.357 -11.477 -0.224 1.00 0.00 N ATOM 270 CA GLY A 46 -11.404 -12.483 0.251 1.00 0.00 C ATOM 271 C GLY A 46 -10.259 -12.682 -0.743 1.00 0.00 C ATOM 272 O GLY A 46 -10.468 -12.465 -1.934 1.00 0.00 O ATOM 0 H GLY A 46 -12.040 -10.990 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.001 -12.177 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.920 -13.430 0.407 1.00 0.00 H new ATOM 276 N LYS A 47 -9.067 -13.099 -0.280 1.00 0.00 N ATOM 277 CA LYS A 47 -7.872 -13.343 -1.105 1.00 0.00 C ATOM 278 C LYS A 47 -8.207 -14.211 -2.302 1.00 0.00 C ATOM 279 O LYS A 47 -8.529 -15.374 -2.114 1.00 0.00 O ATOM 280 CB LYS A 47 -6.739 -13.989 -0.285 1.00 0.00 C ATOM 281 CG LYS A 47 -5.379 -13.951 -1.008 1.00 0.00 C ATOM 282 CD LYS A 47 -4.397 -13.031 -0.306 1.00 0.00 C ATOM 283 CE LYS A 47 -3.017 -12.943 -0.954 1.00 0.00 C ATOM 284 NZ LYS A 47 -2.013 -13.917 -0.477 1.00 0.00 N ATOM 0 H LYS A 47 -8.905 -13.281 0.710 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.523 -12.373 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.651 -13.474 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.000 -15.025 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.964 -14.958 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.522 -13.615 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.826 -12.030 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.277 -13.370 0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.134 -13.070 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.625 -11.939 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.117 -13.767 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.861 -13.787 0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.354 -14.883 -0.656 1.00 0.00 H new ATOM 385 N MET A 53 -6.950 -14.122 3.531 1.00 0.00 N ATOM 386 CA MET A 53 -7.126 -12.763 4.068 1.00 0.00 C ATOM 387 C MET A 53 -5.963 -12.278 4.950 1.00 0.00 C ATOM 388 O MET A 53 -5.219 -13.088 5.510 1.00 0.00 O ATOM 389 CB MET A 53 -8.492 -12.598 4.754 1.00 0.00 C ATOM 390 CG MET A 53 -9.617 -12.902 3.762 1.00 0.00 C ATOM 391 SD MET A 53 -11.227 -12.194 4.169 1.00 0.00 S ATOM 392 CE MET A 53 -11.077 -10.511 3.499 1.00 0.00 C ATOM 0 HA MET A 53 -7.109 -12.101 3.202 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.561 -13.268 5.611 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.597 -11.582 5.135 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.318 -12.539 2.779 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.725 -13.984 3.683 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.426 -9.792 4.240 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.034 -10.307 3.259 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.681 -10.424 2.596 1.00 0.00 H new ATOM 402 N PRO A 54 -5.750 -10.954 5.072 1.00 0.00 N ATOM 403 CA PRO A 54 -4.847 -10.413 6.073 1.00 0.00 C ATOM 404 C PRO A 54 -5.578 -10.317 7.414 1.00 0.00 C ATOM 405 O PRO A 54 -6.784 -10.052 7.459 1.00 0.00 O ATOM 406 CB PRO A 54 -4.465 -9.029 5.554 1.00 0.00 C ATOM 407 CG PRO A 54 -5.706 -8.574 4.787 1.00 0.00 C ATOM 408 CD PRO A 54 -6.375 -9.870 4.321 1.00 0.00 C ATOM 0 HA PRO A 54 -3.965 -11.033 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.226 -8.347 6.370 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.588 -9.072 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.372 -7.991 5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.438 -7.941 3.941 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.449 -9.840 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.239 -10.013 3.249 1.00 0.00 H new ATOM 416 N GLU A 55 -4.841 -10.464 8.513 1.00 0.00 N ATOM 417 CA GLU A 55 -5.376 -10.176 9.832 1.00 0.00 C ATOM 418 C GLU A 55 -5.334 -8.663 10.057 1.00 0.00 C ATOM 419 O GLU A 55 -4.430 -7.982 9.578 1.00 0.00 O ATOM 420 CB GLU A 55 -4.541 -10.920 10.878 1.00 0.00 C ATOM 421 CG GLU A 55 -4.926 -12.405 10.919 1.00 0.00 C ATOM 422 CD GLU A 55 -4.120 -13.221 11.932 1.00 0.00 C ATOM 423 OE1 GLU A 55 -3.260 -12.664 12.648 1.00 0.00 O ATOM 424 OE2 GLU A 55 -4.361 -14.450 12.002 1.00 0.00 O ATOM 0 H GLU A 55 -3.872 -10.781 8.511 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.410 -10.511 9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.481 -10.820 10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.694 -10.472 11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.986 -12.490 11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.788 -12.835 9.927 1.00 0.00 H new ATOM 431 N VAL A 56 -6.290 -8.147 10.827 1.00 0.00 N ATOM 432 CA VAL A 56 -6.376 -6.734 11.197 1.00 0.00 C ATOM 433 C VAL A 56 -5.284 -6.359 12.214 1.00 0.00 C ATOM 434 O VAL A 56 -5.026 -5.179 12.441 1.00 0.00 O ATOM 435 CB VAL A 56 -7.821 -6.449 11.661 1.00 0.00 C ATOM 436 CG1 VAL A 56 -8.036 -5.021 12.155 1.00 0.00 C ATOM 437 CG2 VAL A 56 -8.817 -6.661 10.502 1.00 0.00 C ATOM 0 H VAL A 56 -7.043 -8.711 11.220 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.175 -6.087 10.344 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.990 -7.143 12.484 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.074 -4.895 12.464 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.379 -4.826 13.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.809 -4.320 11.352 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.829 -6.455 10.850 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.571 -5.986 9.682 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.756 -7.692 10.154 1.00 0.00 H new ATOM 447 N GLY A 57 -4.568 -7.338 12.765 1.00 0.00 N ATOM 448 CA GLY A 57 -3.363 -7.118 13.537 1.00 0.00 C ATOM 449 C GLY A 57 -2.191 -7.780 12.838 1.00 0.00 C ATOM 450 O GLY A 57 -1.631 -8.719 13.406 1.00 0.00 O ATOM 0 H GLY A 57 -4.821 -8.323 12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.179 -6.049 13.648 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.481 -7.527 14.541 1.00 0.00 H new ATOM 454 N GLN A 58 -1.855 -7.366 11.607 1.00 0.00 N ATOM 455 CA GLN A 58 -0.551 -7.689 11.029 1.00 0.00 C ATOM 456 C GLN A 58 -0.092 -6.667 9.979 1.00 0.00 C ATOM 457 O GLN A 58 -0.872 -5.806 9.560 1.00 0.00 O ATOM 458 CB GLN A 58 -0.597 -9.094 10.427 1.00 0.00 C ATOM 459 CG GLN A 58 -1.423 -9.167 9.144 1.00 0.00 C ATOM 460 CD GLN A 58 -0.965 -10.245 8.192 1.00 0.00 C ATOM 461 OE1 GLN A 58 -0.150 -11.104 8.509 1.00 0.00 O ATOM 462 NE2 GLN A 58 -1.520 -10.246 7.001 1.00 0.00 N ATOM 0 H GLN A 58 -2.463 -6.814 11.002 1.00 0.00 H new ATOM 0 HA GLN A 58 0.183 -7.651 11.834 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.420 -9.427 10.218 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.014 -9.784 11.161 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.467 -9.342 9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.378 -8.203 8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.196 -9.524 6.753 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.274 -10.969 6.325 1.00 0.00 H new ATOM 471 N ARG A 59 1.143 -6.820 9.480 1.00 0.00 N ATOM 472 CA ARG A 59 1.726 -5.987 8.431 1.00 0.00 C ATOM 473 C ARG A 59 1.217 -6.471 7.076 1.00 0.00 C ATOM 474 O ARG A 59 1.044 -7.679 6.897 1.00 0.00 O ATOM 475 CB ARG A 59 3.271 -6.030 8.536 1.00 0.00 C ATOM 476 CG ARG A 59 3.988 -6.988 7.559 1.00 0.00 C ATOM 477 CD ARG A 59 5.516 -6.929 7.675 1.00 0.00 C ATOM 478 NE ARG A 59 6.023 -7.735 8.793 1.00 0.00 N ATOM 479 CZ ARG A 59 7.214 -7.615 9.385 1.00 0.00 C ATOM 480 NH1 ARG A 59 8.146 -6.800 8.897 1.00 0.00 N ATOM 481 NH2 ARG A 59 7.479 -8.323 10.472 1.00 0.00 N ATOM 0 H ARG A 59 1.777 -7.548 9.808 1.00 0.00 H new ATOM 0 HA ARG A 59 1.425 -4.946 8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.655 -5.023 8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.539 -6.313 9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.654 -8.008 7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.697 -6.742 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.962 -7.281 6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.828 -5.893 7.806 1.00 0.00 H new ATOM 0 HE ARG A 59 5.403 -8.460 9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.956 -6.254 8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.050 -6.722 9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.775 -8.956 10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.387 -8.236 10.929 1.00 0.00 H new ATOM 495 N LEU A 60 1.036 -5.584 6.091 1.00 0.00 N ATOM 496 CA LEU A 60 0.795 -5.973 4.709 1.00 0.00 C ATOM 497 C LEU A 60 1.023 -4.839 3.704 1.00 0.00 C ATOM 498 O LEU A 60 1.096 -3.665 4.065 1.00 0.00 O ATOM 499 CB LEU A 60 -0.596 -6.610 4.520 1.00 0.00 C ATOM 500 CG LEU A 60 -1.877 -5.993 5.106 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.949 -6.110 6.613 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.139 -4.554 4.702 1.00 0.00 C ATOM 0 H LEU A 60 1.054 -4.575 6.237 1.00 0.00 H new ATOM 0 HA LEU A 60 1.546 -6.732 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.755 -6.696 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.530 -7.624 4.915 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.665 -6.597 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.874 -5.657 6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.926 -7.162 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.098 -5.595 7.059 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.064 -4.209 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.311 -3.927 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.231 -4.491 3.618 1.00 0.00 H new ATOM 514 N ARG A 61 1.115 -5.230 2.424 1.00 0.00 N ATOM 515 CA ARG A 61 1.077 -4.416 1.206 1.00 0.00 C ATOM 516 C ARG A 61 -0.334 -4.449 0.640 1.00 0.00 C ATOM 517 O ARG A 61 -0.940 -5.518 0.659 1.00 0.00 O ATOM 518 CB ARG A 61 2.011 -5.049 0.150 1.00 0.00 C ATOM 519 CG ARG A 61 3.445 -4.532 0.232 1.00 0.00 C ATOM 520 CD ARG A 61 4.497 -5.454 -0.394 1.00 0.00 C ATOM 521 NE ARG A 61 4.647 -6.688 0.389 1.00 0.00 N ATOM 522 CZ ARG A 61 5.608 -6.974 1.273 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.752 -6.297 1.342 1.00 0.00 N ATOM 524 NH2 ARG A 61 5.397 -7.962 2.134 1.00 0.00 N ATOM 0 H ARG A 61 1.229 -6.218 2.197 1.00 0.00 H new ATOM 0 HA ARG A 61 1.385 -3.396 1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.014 -6.131 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.615 -4.847 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.495 -3.561 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.699 -4.372 1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.208 -5.700 -1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.454 -4.935 -0.449 1.00 0.00 H new ATOM 0 HE ARG A 61 3.939 -7.407 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.925 -5.522 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.455 -6.554 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.519 -8.481 2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.113 -8.202 2.820 1.00 0.00 H new ATOM 538 N VAL A 62 -0.804 -3.348 0.058 1.00 0.00 N ATOM 539 CA VAL A 62 -2.010 -3.265 -0.757 1.00 0.00 C ATOM 540 C VAL A 62 -1.650 -2.573 -2.072 1.00 0.00 C ATOM 541 O VAL A 62 -0.856 -1.636 -2.056 1.00 0.00 O ATOM 542 CB VAL A 62 -3.099 -2.477 -0.001 1.00 0.00 C ATOM 543 CG1 VAL A 62 -4.358 -2.214 -0.841 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.541 -3.232 1.249 1.00 0.00 C ATOM 0 H VAL A 62 -0.331 -2.449 0.147 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.402 -4.261 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.637 -1.522 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.082 -1.656 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.091 -1.635 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.796 -3.164 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.310 -2.659 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.944 -4.204 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.686 -3.373 1.910 1.00 0.00 H new ATOM 554 N GLY A 63 -2.278 -2.938 -3.190 1.00 0.00 N ATOM 555 CA GLY A 63 -2.258 -2.155 -4.417 1.00 0.00 C ATOM 556 C GLY A 63 -3.670 -2.000 -4.953 1.00 0.00 C ATOM 557 O GLY A 63 -4.448 -2.949 -4.921 1.00 0.00 O ATOM 0 H GLY A 63 -2.821 -3.798 -3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.822 -1.174 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.629 -2.644 -5.161 1.00 0.00 H new ATOM 561 N GLY A 64 -3.997 -0.805 -5.439 1.00 0.00 N ATOM 562 CA GLY A 64 -5.315 -0.442 -5.963 1.00 0.00 C ATOM 563 C GLY A 64 -5.196 0.861 -6.746 1.00 0.00 C ATOM 564 O GLY A 64 -4.064 1.282 -6.998 1.00 0.00 O ATOM 0 H GLY A 64 -3.330 -0.035 -5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.696 -1.235 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.026 -0.326 -5.145 1.00 0.00 H new ATOM 568 N MET A 65 -6.307 1.493 -7.124 1.00 0.00 N ATOM 569 CA MET A 65 -6.349 2.812 -7.752 1.00 0.00 C ATOM 570 C MET A 65 -6.883 3.842 -6.753 1.00 0.00 C ATOM 571 O MET A 65 -7.944 3.617 -6.181 1.00 0.00 O ATOM 572 CB MET A 65 -7.214 2.727 -9.013 1.00 0.00 C ATOM 573 CG MET A 65 -7.097 3.983 -9.882 1.00 0.00 C ATOM 574 SD MET A 65 -7.819 3.871 -11.541 1.00 0.00 S ATOM 575 CE MET A 65 -7.039 2.357 -12.168 1.00 0.00 C ATOM 0 H MET A 65 -7.234 1.086 -6.997 1.00 0.00 H new ATOM 0 HA MET A 65 -5.350 3.134 -8.044 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.918 1.855 -9.596 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.256 2.581 -8.728 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.572 4.811 -9.356 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.041 4.234 -9.983 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.076 2.353 -13.257 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.000 2.320 -11.840 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.572 1.487 -11.784 1.00 0.00 H new ATOM 585 N VAL A 66 -6.161 4.935 -6.474 1.00 0.00 N ATOM 586 CA VAL A 66 -6.606 5.984 -5.539 1.00 0.00 C ATOM 587 C VAL A 66 -7.982 6.475 -6.008 1.00 0.00 C ATOM 588 O VAL A 66 -8.144 6.817 -7.180 1.00 0.00 O ATOM 589 CB VAL A 66 -5.606 7.172 -5.525 1.00 0.00 C ATOM 590 CG1 VAL A 66 -4.907 7.385 -6.834 1.00 0.00 C ATOM 591 CG2 VAL A 66 -6.145 8.483 -4.931 1.00 0.00 C ATOM 0 H VAL A 66 -5.248 5.120 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.659 5.579 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.848 6.842 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.225 8.231 -6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.344 6.489 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.644 7.590 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.368 9.246 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.009 8.815 -5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.441 8.318 -3.895 1.00 0.00 H new ATOM 601 N MET A 67 -8.962 6.538 -5.111 1.00 0.00 N ATOM 602 CA MET A 67 -10.254 7.137 -5.378 1.00 0.00 C ATOM 603 C MET A 67 -10.054 8.626 -5.675 1.00 0.00 C ATOM 604 O MET A 67 -9.460 9.342 -4.860 1.00 0.00 O ATOM 605 CB MET A 67 -11.182 6.916 -4.172 1.00 0.00 C ATOM 606 CG MET A 67 -12.560 6.486 -4.653 1.00 0.00 C ATOM 607 SD MET A 67 -13.818 6.370 -3.357 1.00 0.00 S ATOM 608 CE MET A 67 -13.558 4.662 -2.837 1.00 0.00 C ATOM 0 H MET A 67 -8.873 6.167 -4.165 1.00 0.00 H new ATOM 0 HA MET A 67 -10.723 6.672 -6.245 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.763 6.155 -3.514 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.260 7.834 -3.589 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.902 7.193 -5.409 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.472 5.516 -5.141 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.911 4.536 -1.813 1.00 0.00 H new ATOM 0 HE2 MET A 67 -14.111 3.993 -3.496 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.495 4.424 -2.887 1.00 0.00 H new ATOM 618 N PRO A 68 -10.528 9.110 -6.827 1.00 0.00 N ATOM 619 CA PRO A 68 -10.452 10.513 -7.180 1.00 0.00 C ATOM 620 C PRO A 68 -11.274 11.314 -6.165 1.00 0.00 C ATOM 621 O PRO A 68 -12.380 10.909 -5.804 1.00 0.00 O ATOM 622 CB PRO A 68 -10.991 10.591 -8.612 1.00 0.00 C ATOM 623 CG PRO A 68 -11.879 9.353 -8.757 1.00 0.00 C ATOM 624 CD PRO A 68 -11.277 8.349 -7.809 1.00 0.00 C ATOM 0 HA PRO A 68 -9.447 10.935 -7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.559 11.507 -8.773 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.181 10.586 -9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.914 9.574 -8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.879 8.982 -9.782 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.054 7.754 -7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.626 7.655 -8.341 1.00 0.00 H new ATOM 632 N GLY A 69 -10.729 12.424 -5.663 1.00 0.00 N ATOM 633 CA GLY A 69 -11.408 13.263 -4.682 1.00 0.00 C ATOM 634 C GLY A 69 -11.254 12.781 -3.235 1.00 0.00 C ATOM 635 O GLY A 69 -11.920 13.329 -2.357 1.00 0.00 O ATOM 0 H GLY A 69 -9.804 12.764 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.021 14.279 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.469 13.306 -4.929 1.00 0.00 H new ATOM 639 N SER A 70 -10.415 11.773 -2.955 1.00 0.00 N ATOM 640 CA SER A 70 -10.223 11.288 -1.586 1.00 0.00 C ATOM 641 C SER A 70 -8.981 11.857 -0.901 1.00 0.00 C ATOM 642 O SER A 70 -8.984 12.008 0.320 1.00 0.00 O ATOM 643 CB SER A 70 -10.206 9.757 -1.551 1.00 0.00 C ATOM 644 OG SER A 70 -9.110 9.206 -2.268 1.00 0.00 O ATOM 0 H SER A 70 -9.862 11.281 -3.657 1.00 0.00 H new ATOM 0 HA SER A 70 -11.077 11.653 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.163 9.421 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.138 9.377 -1.971 1.00 0.00 H new ATOM 0 HG SER A 70 -9.106 9.559 -3.182 1.00 0.00 H new ATOM 650 N VAL A 71 -7.903 12.130 -1.642 1.00 0.00 N ATOM 651 CA VAL A 71 -6.614 12.423 -1.027 1.00 0.00 C ATOM 652 C VAL A 71 -6.601 13.848 -0.488 1.00 0.00 C ATOM 653 O VAL A 71 -6.800 14.817 -1.231 1.00 0.00 O ATOM 654 CB VAL A 71 -5.428 12.068 -1.942 1.00 0.00 C ATOM 655 CG1 VAL A 71 -5.624 12.472 -3.377 1.00 0.00 C ATOM 656 CG2 VAL A 71 -4.077 12.553 -1.410 1.00 0.00 C ATOM 0 H VAL A 71 -7.901 12.153 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.477 11.768 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.404 10.978 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.746 12.188 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.504 11.970 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.764 13.551 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.288 12.267 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.095 13.638 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.885 12.099 -0.438 1.00 0.00 H new ATOM 666 N GLN A 72 -6.323 13.975 0.803 1.00 0.00 N ATOM 667 CA GLN A 72 -5.713 15.159 1.374 1.00 0.00 C ATOM 668 C GLN A 72 -4.214 14.862 1.432 1.00 0.00 C ATOM 669 O GLN A 72 -3.837 13.815 1.944 1.00 0.00 O ATOM 670 CB GLN A 72 -6.340 15.462 2.749 1.00 0.00 C ATOM 671 CG GLN A 72 -6.174 14.384 3.825 1.00 0.00 C ATOM 672 CD GLN A 72 -5.182 14.776 4.917 1.00 0.00 C ATOM 673 OE1 GLN A 72 -4.062 15.219 4.668 1.00 0.00 O ATOM 674 NE2 GLN A 72 -5.589 14.645 6.161 1.00 0.00 N ATOM 0 H GLN A 72 -6.519 13.246 1.489 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.881 16.059 0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.908 16.389 3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.406 15.642 2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.144 14.180 4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.841 13.458 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.520 14.277 6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.974 14.912 6.930 1.00 0.00 H new ATOM 683 N ARG A 73 -3.354 15.724 0.889 1.00 0.00 N ATOM 684 CA ARG A 73 -1.928 15.752 1.226 1.00 0.00 C ATOM 685 C ARG A 73 -1.739 17.091 1.906 1.00 0.00 C ATOM 686 O ARG A 73 -2.190 18.101 1.357 1.00 0.00 O ATOM 687 CB ARG A 73 -0.968 15.654 0.016 1.00 0.00 C ATOM 688 CG ARG A 73 -1.432 14.934 -1.257 1.00 0.00 C ATOM 689 CD ARG A 73 -0.460 15.272 -2.406 1.00 0.00 C ATOM 690 NE ARG A 73 -0.844 14.645 -3.689 1.00 0.00 N ATOM 691 CZ ARG A 73 -0.052 14.090 -4.620 1.00 0.00 C ATOM 692 NH1 ARG A 73 1.266 13.972 -4.436 1.00 0.00 N ATOM 693 NH2 ARG A 73 -0.584 13.628 -5.746 1.00 0.00 N ATOM 0 H ARG A 73 -3.626 16.425 0.200 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.681 14.883 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.691 16.670 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.059 15.159 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.460 13.857 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.444 15.243 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.419 16.354 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.544 14.945 -2.134 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.843 14.633 -3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.692 14.308 -3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.846 13.546 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.590 13.696 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.013 13.205 -6.457 1.00 0.00 H new ATOM 758 N LEU A 78 3.522 16.391 6.422 1.00 0.00 N ATOM 759 CA LEU A 78 3.692 15.168 5.664 1.00 0.00 C ATOM 760 C LEU A 78 2.523 14.197 5.884 1.00 0.00 C ATOM 761 O LEU A 78 2.456 13.191 5.174 1.00 0.00 O ATOM 762 CB LEU A 78 5.063 14.506 5.946 1.00 0.00 C ATOM 763 CG LEU A 78 5.777 14.706 7.302 1.00 0.00 C ATOM 764 CD1 LEU A 78 6.585 16.010 7.365 1.00 0.00 C ATOM 765 CD2 LEU A 78 4.844 14.615 8.514 1.00 0.00 C ATOM 0 HA LEU A 78 3.684 15.437 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.934 13.433 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.748 14.847 5.170 1.00 0.00 H new ATOM 0 HG LEU A 78 6.469 13.866 7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.063 16.095 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.348 16.003 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.918 16.859 7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.419 14.766 9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.074 15.383 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.375 13.632 8.539 1.00 0.00 H new ATOM 777 N LYS A 79 1.576 14.459 6.799 1.00 0.00 N ATOM 778 CA LYS A 79 0.350 13.665 6.857 1.00 0.00 C ATOM 779 C LYS A 79 -0.384 13.776 5.524 1.00 0.00 C ATOM 780 O LYS A 79 -0.359 14.816 4.861 1.00 0.00 O ATOM 781 CB LYS A 79 -0.543 14.100 8.035 1.00 0.00 C ATOM 782 CG LYS A 79 -0.625 13.010 9.129 1.00 0.00 C ATOM 783 CD LYS A 79 -1.557 11.826 8.788 1.00 0.00 C ATOM 784 CE LYS A 79 -3.030 12.048 9.179 1.00 0.00 C ATOM 785 NZ LYS A 79 -3.382 11.482 10.503 1.00 0.00 N ATOM 0 H LYS A 79 1.638 15.202 7.495 1.00 0.00 H new ATOM 0 HA LYS A 79 0.608 12.620 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.150 15.020 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.545 14.323 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.377 12.624 9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.967 13.469 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.503 11.632 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.190 10.932 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.239 13.118 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.671 11.600 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.386 11.666 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.213 10.456 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.795 11.926 11.238 1.00 0.00 H new ATOM 799 N VAL A 80 -1.014 12.681 5.136 1.00 0.00 N ATOM 800 CA VAL A 80 -1.826 12.562 3.941 1.00 0.00 C ATOM 801 C VAL A 80 -2.782 11.410 4.240 1.00 0.00 C ATOM 802 O VAL A 80 -2.360 10.366 4.753 1.00 0.00 O ATOM 803 CB VAL A 80 -0.917 12.354 2.705 1.00 0.00 C ATOM 804 CG1 VAL A 80 0.212 11.354 2.913 1.00 0.00 C ATOM 805 CG2 VAL A 80 -1.651 11.917 1.426 1.00 0.00 C ATOM 0 H VAL A 80 -0.971 11.813 5.670 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.402 13.454 3.696 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.515 13.359 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.798 11.271 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.855 11.694 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.207 10.380 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.931 11.797 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.158 10.969 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.384 12.675 1.150 1.00 0.00 H new ATOM 815 N THR A 81 -4.059 11.550 3.909 1.00 0.00 N ATOM 816 CA THR A 81 -4.990 10.428 3.894 1.00 0.00 C ATOM 817 C THR A 81 -5.482 10.293 2.461 1.00 0.00 C ATOM 818 O THR A 81 -5.464 11.282 1.727 1.00 0.00 O ATOM 819 CB THR A 81 -6.103 10.548 4.954 1.00 0.00 C ATOM 820 OG1 THR A 81 -7.137 11.415 4.562 1.00 0.00 O ATOM 821 CG2 THR A 81 -5.579 11.029 6.301 1.00 0.00 C ATOM 0 H THR A 81 -4.478 12.441 3.644 1.00 0.00 H new ATOM 0 HA THR A 81 -4.494 9.504 4.191 1.00 0.00 H new ATOM 0 HB THR A 81 -6.494 9.535 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.816 11.454 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.404 11.096 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.836 10.325 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.121 12.011 6.184 1.00 0.00 H new ATOM 829 N PHE A 82 -5.872 9.097 2.026 1.00 0.00 N ATOM 830 CA PHE A 82 -6.625 8.913 0.789 1.00 0.00 C ATOM 831 C PHE A 82 -7.468 7.650 0.882 1.00 0.00 C ATOM 832 O PHE A 82 -7.451 6.967 1.914 1.00 0.00 O ATOM 833 CB PHE A 82 -5.700 8.945 -0.444 1.00 0.00 C ATOM 834 CG PHE A 82 -4.645 7.875 -0.612 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.482 7.959 0.175 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.723 6.901 -1.632 1.00 0.00 C ATOM 837 CE1 PHE A 82 -2.464 7.005 0.047 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.696 5.957 -1.761 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.575 5.990 -0.915 1.00 0.00 C ATOM 0 H PHE A 82 -5.674 8.228 2.522 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.312 9.749 0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.335 8.919 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.191 9.909 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.373 8.766 0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.567 6.884 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.596 7.051 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.767 5.193 -2.521 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.804 5.239 -1.005 1.00 0.00 H new ATOM 849 N THR A 83 -8.187 7.342 -0.192 1.00 0.00 N ATOM 850 CA THR A 83 -8.918 6.093 -0.344 1.00 0.00 C ATOM 851 C THR A 83 -8.402 5.471 -1.640 1.00 0.00 C ATOM 852 O THR A 83 -7.934 6.175 -2.537 1.00 0.00 O ATOM 853 CB THR A 83 -10.446 6.343 -0.360 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.867 7.193 0.690 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.266 5.054 -0.222 1.00 0.00 C ATOM 0 H THR A 83 -8.279 7.965 -0.994 1.00 0.00 H new ATOM 0 HA THR A 83 -8.755 5.414 0.493 1.00 0.00 H new ATOM 0 HB THR A 83 -10.624 6.805 -1.331 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.837 7.322 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.329 5.295 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.032 4.384 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.021 4.566 0.721 1.00 0.00 H new ATOM 863 N ILE A 84 -8.489 4.156 -1.767 1.00 0.00 N ATOM 864 CA ILE A 84 -8.077 3.379 -2.923 1.00 0.00 C ATOM 865 C ILE A 84 -9.211 2.404 -3.150 1.00 0.00 C ATOM 866 O ILE A 84 -9.690 1.794 -2.199 1.00 0.00 O ATOM 867 CB ILE A 84 -6.745 2.616 -2.671 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.865 3.164 -1.549 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.875 2.664 -3.917 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.699 2.230 -1.178 1.00 0.00 C ATOM 0 H ILE A 84 -8.871 3.571 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.888 4.019 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.076 1.616 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.464 4.132 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.480 3.335 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.944 2.127 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.404 2.197 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.652 3.702 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.114 2.679 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.094 1.270 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.062 2.079 -2.050 1.00 0.00 H new ATOM 882 N TYR A 85 -9.640 2.255 -4.388 1.00 0.00 N ATOM 883 CA TYR A 85 -10.644 1.303 -4.802 1.00 0.00 C ATOM 884 C TYR A 85 -10.020 0.410 -5.860 1.00 0.00 C ATOM 885 O TYR A 85 -8.846 0.559 -6.218 1.00 0.00 O ATOM 886 CB TYR A 85 -11.910 2.026 -5.284 1.00 0.00 C ATOM 887 CG TYR A 85 -11.735 2.699 -6.625 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.929 3.841 -6.725 1.00 0.00 C ATOM 889 CD2 TYR A 85 -12.293 2.133 -7.781 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.628 4.391 -7.977 1.00 0.00 C ATOM 891 CE2 TYR A 85 -12.010 2.683 -9.043 1.00 0.00 C ATOM 892 CZ TYR A 85 -11.162 3.808 -9.152 1.00 0.00 C ATOM 893 OH TYR A 85 -10.879 4.348 -10.370 1.00 0.00 O ATOM 0 H TYR A 85 -9.283 2.817 -5.161 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.968 0.679 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.728 1.309 -5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -12.198 2.773 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.537 4.300 -5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.941 1.273 -7.701 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.989 5.259 -8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.441 2.245 -9.931 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.956 4.131 -10.618 1.00 0.00 H new ATOM 903 N ASP A 86 -10.801 -0.548 -6.326 1.00 0.00 N ATOM 904 CA ASP A 86 -10.415 -1.427 -7.412 1.00 0.00 C ATOM 905 C ASP A 86 -11.707 -1.915 -8.077 1.00 0.00 C ATOM 906 O ASP A 86 -12.706 -1.194 -8.126 1.00 0.00 O ATOM 907 CB ASP A 86 -9.527 -2.548 -6.848 1.00 0.00 C ATOM 908 CG ASP A 86 -8.770 -3.308 -7.929 1.00 0.00 C ATOM 909 OD1 ASP A 86 -7.690 -2.866 -8.376 1.00 0.00 O ATOM 910 OD2 ASP A 86 -9.236 -4.400 -8.335 1.00 0.00 O ATOM 0 H ASP A 86 -11.732 -0.739 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.818 -0.932 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.813 -2.119 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.147 -3.247 -6.286 1.00 0.00 H new ATOM 915 N ALA A 87 -11.718 -3.128 -8.616 1.00 0.00 N ATOM 916 CA ALA A 87 -12.854 -3.721 -9.286 1.00 0.00 C ATOM 917 C ALA A 87 -13.976 -4.141 -8.328 1.00 0.00 C ATOM 918 O ALA A 87 -15.091 -4.391 -8.788 1.00 0.00 O ATOM 919 CB ALA A 87 -12.335 -4.943 -10.030 1.00 0.00 C ATOM 0 H ALA A 87 -10.904 -3.742 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.294 -2.979 -9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.159 -5.427 -10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.577 -4.636 -10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.896 -5.643 -9.319 1.00 0.00 H new ATOM 925 N GLU A 88 -13.707 -4.226 -7.025 1.00 0.00 N ATOM 926 CA GLU A 88 -14.531 -4.943 -6.056 1.00 0.00 C ATOM 927 C GLU A 88 -15.033 -3.961 -5.006 1.00 0.00 C ATOM 928 O GLU A 88 -16.238 -3.766 -4.857 1.00 0.00 O ATOM 929 CB GLU A 88 -13.740 -6.062 -5.367 1.00 0.00 C ATOM 930 CG GLU A 88 -12.662 -6.778 -6.170 1.00 0.00 C ATOM 931 CD GLU A 88 -13.252 -7.898 -7.037 1.00 0.00 C ATOM 932 OE1 GLU A 88 -13.376 -9.028 -6.501 1.00 0.00 O ATOM 933 OE2 GLU A 88 -13.700 -7.655 -8.183 1.00 0.00 O ATOM 0 H GLU A 88 -12.888 -3.786 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.368 -5.397 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.269 -5.640 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.453 -6.812 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.144 -6.060 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.919 -7.196 -5.491 1.00 0.00 H new ATOM 940 N GLY A 89 -14.111 -3.384 -4.239 1.00 0.00 N ATOM 941 CA GLY A 89 -14.439 -2.467 -3.154 1.00 0.00 C ATOM 942 C GLY A 89 -13.347 -1.426 -2.967 1.00 0.00 C ATOM 943 O GLY A 89 -12.600 -1.142 -3.906 1.00 0.00 O ATOM 0 H GLY A 89 -13.110 -3.541 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.386 -1.971 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.574 -3.027 -2.229 1.00 0.00 H new ATOM 947 N SER A 90 -13.265 -0.832 -1.773 1.00 0.00 N ATOM 948 CA SER A 90 -12.291 0.208 -1.493 1.00 0.00 C ATOM 949 C SER A 90 -11.777 0.150 -0.046 1.00 0.00 C ATOM 950 O SER A 90 -12.388 -0.495 0.813 1.00 0.00 O ATOM 951 CB SER A 90 -12.913 1.544 -1.897 1.00 0.00 C ATOM 952 OG SER A 90 -14.024 1.881 -1.090 1.00 0.00 O ATOM 0 H SER A 90 -13.870 -1.061 -0.984 1.00 0.00 H new ATOM 0 HA SER A 90 -11.386 0.061 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.161 2.330 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.225 1.497 -2.940 1.00 0.00 H new ATOM 0 HG SER A 90 -14.725 2.278 -1.648 1.00 0.00 H new ATOM 958 N VAL A 91 -10.645 0.804 0.220 1.00 0.00 N ATOM 959 CA VAL A 91 -9.889 0.783 1.463 1.00 0.00 C ATOM 960 C VAL A 91 -9.306 2.171 1.708 1.00 0.00 C ATOM 961 O VAL A 91 -9.063 2.943 0.774 1.00 0.00 O ATOM 962 CB VAL A 91 -8.806 -0.306 1.344 1.00 0.00 C ATOM 963 CG1 VAL A 91 -7.676 0.054 0.368 1.00 0.00 C ATOM 964 CG2 VAL A 91 -8.178 -0.769 2.655 1.00 0.00 C ATOM 0 H VAL A 91 -10.206 1.403 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.518 0.541 2.320 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.387 -1.140 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.950 -0.759 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.091 0.210 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.183 0.967 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.431 -1.536 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.703 0.078 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.951 -1.181 3.303 1.00 0.00 H new ATOM 974 N ASP A 92 -9.059 2.454 2.977 1.00 0.00 N ATOM 975 CA ASP A 92 -8.575 3.743 3.471 1.00 0.00 C ATOM 976 C ASP A 92 -7.059 3.681 3.657 1.00 0.00 C ATOM 977 O ASP A 92 -6.511 2.601 3.913 1.00 0.00 O ATOM 978 CB ASP A 92 -9.256 4.099 4.810 1.00 0.00 C ATOM 979 CG ASP A 92 -10.399 5.095 4.631 1.00 0.00 C ATOM 980 OD1 ASP A 92 -11.362 4.782 3.900 1.00 0.00 O ATOM 981 OD2 ASP A 92 -10.341 6.202 5.211 1.00 0.00 O ATOM 0 H ASP A 92 -9.193 1.771 3.722 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.821 4.516 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.638 3.190 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.516 4.517 5.492 1.00 0.00 H new ATOM 986 N VAL A 93 -6.375 4.830 3.612 1.00 0.00 N ATOM 987 CA VAL A 93 -4.942 4.925 3.859 1.00 0.00 C ATOM 988 C VAL A 93 -4.661 6.172 4.694 1.00 0.00 C ATOM 989 O VAL A 93 -5.017 7.275 4.273 1.00 0.00 O ATOM 990 CB VAL A 93 -4.146 5.002 2.540 1.00 0.00 C ATOM 991 CG1 VAL A 93 -2.649 4.831 2.834 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.549 3.956 1.496 1.00 0.00 C ATOM 0 H VAL A 93 -6.811 5.727 3.400 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.625 4.029 4.393 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.373 5.980 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.087 4.885 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.317 5.623 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.479 3.863 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.940 4.082 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.393 2.957 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.601 4.084 1.240 1.00 0.00 H new ATOM 1002 N SER A 94 -3.928 6.019 5.793 1.00 0.00 N ATOM 1003 CA SER A 94 -3.259 7.097 6.510 1.00 0.00 C ATOM 1004 C SER A 94 -1.758 6.914 6.314 1.00 0.00 C ATOM 1005 O SER A 94 -1.212 5.892 6.734 1.00 0.00 O ATOM 1006 CB SER A 94 -3.643 7.051 7.988 1.00 0.00 C ATOM 1007 OG SER A 94 -4.993 7.446 8.108 1.00 0.00 O ATOM 0 H SER A 94 -3.779 5.106 6.224 1.00 0.00 H new ATOM 0 HA SER A 94 -3.560 8.073 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.505 6.045 8.385 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.001 7.714 8.568 1.00 0.00 H new ATOM 0 HG SER A 94 -5.569 6.777 7.682 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.091 7.873 5.674 1.00 0.00 N ATOM 1014 CA TYR A 95 0.350 7.929 5.499 1.00 0.00 C ATOM 1015 C TYR A 95 0.826 9.233 6.125 1.00 0.00 C ATOM 1016 O TYR A 95 0.074 10.196 6.298 1.00 0.00 O ATOM 1017 CB TYR A 95 0.720 7.831 4.005 1.00 0.00 C ATOM 1018 CG TYR A 95 2.195 7.942 3.649 1.00 0.00 C ATOM 1019 CD1 TYR A 95 3.196 7.231 4.331 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.566 8.799 2.608 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.550 7.438 4.003 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.900 8.939 2.202 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.910 8.275 2.922 1.00 0.00 C ATOM 1024 OH TYR A 95 6.216 8.469 2.583 1.00 0.00 O ATOM 0 H TYR A 95 -1.567 8.667 5.245 1.00 0.00 H new ATOM 0 HA TYR A 95 0.841 7.087 5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.351 6.878 3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.183 8.615 3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.928 6.527 5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.802 9.370 2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.321 6.953 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.150 9.549 1.347 1.00 0.00 H new ATOM 0 HH TYR A 95 6.271 9.114 1.847 1.00 0.00 H new ATOM 1034 N GLU A 96 2.107 9.268 6.436 1.00 0.00 N ATOM 1035 CA GLU A 96 2.786 10.386 7.032 1.00 0.00 C ATOM 1036 C GLU A 96 4.185 10.330 6.447 1.00 0.00 C ATOM 1037 O GLU A 96 5.068 9.633 6.964 1.00 0.00 O ATOM 1038 CB GLU A 96 2.748 10.282 8.563 1.00 0.00 C ATOM 1039 CG GLU A 96 3.434 11.500 9.185 1.00 0.00 C ATOM 1040 CD GLU A 96 3.907 11.241 10.607 1.00 0.00 C ATOM 1041 OE1 GLU A 96 3.103 11.408 11.549 1.00 0.00 O ATOM 1042 OE2 GLU A 96 5.109 10.925 10.782 1.00 0.00 O ATOM 0 H GLU A 96 2.727 8.475 6.269 1.00 0.00 H new ATOM 0 HA GLU A 96 2.322 11.349 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.715 10.221 8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.246 9.368 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.286 11.787 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.742 12.342 9.184 1.00 0.00 H new ATOM 1049 N GLY A 97 4.376 11.004 5.320 1.00 0.00 N ATOM 1050 CA GLY A 97 5.703 11.054 4.746 1.00 0.00 C ATOM 1051 C GLY A 97 5.727 11.831 3.451 1.00 0.00 C ATOM 1052 O GLY A 97 4.754 12.486 3.068 1.00 0.00 O ATOM 0 H GLY A 97 3.653 11.506 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.389 11.513 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.060 10.040 4.568 1.00 0.00 H new ATOM 1056 N ILE A 98 6.879 11.759 2.806 1.00 0.00 N ATOM 1057 CA ILE A 98 7.133 12.366 1.521 1.00 0.00 C ATOM 1058 C ILE A 98 6.316 11.523 0.552 1.00 0.00 C ATOM 1059 O ILE A 98 6.469 10.298 0.490 1.00 0.00 O ATOM 1060 CB ILE A 98 8.656 12.448 1.278 1.00 0.00 C ATOM 1061 CG1 ILE A 98 9.055 13.526 0.250 1.00 0.00 C ATOM 1062 CG2 ILE A 98 9.344 11.100 1.015 1.00 0.00 C ATOM 1063 CD1 ILE A 98 8.549 13.325 -1.182 1.00 0.00 C ATOM 0 H ILE A 98 7.686 11.259 3.179 1.00 0.00 H new ATOM 0 HA ILE A 98 6.824 13.406 1.412 1.00 0.00 H new ATOM 0 HB ILE A 98 9.051 12.775 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.692 14.490 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.143 13.585 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.410 11.261 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.200 10.444 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.911 10.637 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.895 14.147 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.932 12.383 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.459 13.302 -1.183 1.00 0.00 H new ATOM 1075 N LEU A 99 5.325 12.150 -0.070 1.00 0.00 N ATOM 1076 CA LEU A 99 4.446 11.471 -0.999 1.00 0.00 C ATOM 1077 C LEU A 99 5.086 11.585 -2.373 1.00 0.00 C ATOM 1078 O LEU A 99 5.480 12.703 -2.723 1.00 0.00 O ATOM 1079 CB LEU A 99 3.052 12.108 -0.943 1.00 0.00 C ATOM 1080 CG LEU A 99 1.952 11.195 -1.513 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.861 9.874 -0.753 1.00 0.00 C ATOM 1082 CD2 LEU A 99 0.603 11.870 -1.293 1.00 0.00 C ATOM 0 H LEU A 99 5.113 13.139 0.058 1.00 0.00 H new ATOM 0 HA LEU A 99 4.315 10.418 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.812 12.355 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.064 13.045 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 99 2.190 11.018 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.073 9.258 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.813 9.347 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.632 10.072 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.190 11.237 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.443 12.024 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.590 12.832 -1.805 1.00 0.00 H new ATOM 1094 N PRO A 100 5.203 10.490 -3.149 1.00 0.00 N ATOM 1095 CA PRO A 100 5.845 10.570 -4.445 1.00 0.00 C ATOM 1096 C PRO A 100 5.156 11.660 -5.258 1.00 0.00 C ATOM 1097 O PRO A 100 3.925 11.721 -5.306 1.00 0.00 O ATOM 1098 CB PRO A 100 5.696 9.193 -5.109 1.00 0.00 C ATOM 1099 CG PRO A 100 5.110 8.261 -4.052 1.00 0.00 C ATOM 1100 CD PRO A 100 4.631 9.169 -2.922 1.00 0.00 C ATOM 0 HA PRO A 100 6.903 10.822 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.043 9.251 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.661 8.825 -5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.286 7.675 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.858 7.553 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.542 9.220 -2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.945 8.776 -1.955 1.00 0.00 H new ATOM 1108 N ASP A 101 5.925 12.474 -5.973 1.00 0.00 N ATOM 1109 CA ASP A 101 5.348 13.303 -7.038 1.00 0.00 C ATOM 1110 C ASP A 101 4.765 12.401 -8.123 1.00 0.00 C ATOM 1111 O ASP A 101 3.919 12.800 -8.916 1.00 0.00 O ATOM 1112 CB ASP A 101 6.401 14.205 -7.676 1.00 0.00 C ATOM 1113 CG ASP A 101 7.105 15.065 -6.645 1.00 0.00 C ATOM 1114 OD1 ASP A 101 6.424 15.898 -6.002 1.00 0.00 O ATOM 1115 OD2 ASP A 101 8.328 14.876 -6.471 1.00 0.00 O ATOM 0 H ASP A 101 6.931 12.581 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 101 4.573 13.927 -6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.135 13.593 -8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.928 14.845 -8.421 1.00 0.00 H new ATOM 1120 N LEU A 102 5.229 11.156 -8.162 1.00 0.00 N ATOM 1121 CA LEU A 102 4.745 10.114 -9.031 1.00 0.00 C ATOM 1122 C LEU A 102 3.330 9.688 -8.620 1.00 0.00 C ATOM 1123 O LEU A 102 2.611 9.171 -9.468 1.00 0.00 O ATOM 1124 CB LEU A 102 5.751 8.948 -9.031 1.00 0.00 C ATOM 1125 CG LEU A 102 7.075 9.281 -9.757 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.956 10.351 -9.093 1.00 0.00 C ATOM 1127 CD2 LEU A 102 7.902 8.008 -9.826 1.00 0.00 C ATOM 0 H LEU A 102 5.988 10.842 -7.557 1.00 0.00 H new ATOM 0 HA LEU A 102 4.667 10.480 -10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.971 8.667 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.292 8.081 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 102 6.780 9.685 -10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.856 10.502 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.403 11.288 -9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.234 10.023 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.844 8.213 -10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.105 7.651 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 102 7.351 7.246 -10.377 1.00 0.00 H new ATOM 1139 N PHE A 103 2.895 9.928 -7.373 1.00 0.00 N ATOM 1140 CA PHE A 103 1.531 9.737 -6.919 1.00 0.00 C ATOM 1141 C PHE A 103 0.640 10.807 -7.540 1.00 0.00 C ATOM 1142 O PHE A 103 0.968 11.999 -7.516 1.00 0.00 O ATOM 1143 CB PHE A 103 1.474 9.819 -5.395 1.00 0.00 C ATOM 1144 CG PHE A 103 0.165 9.346 -4.811 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.955 10.195 -4.806 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.067 8.059 -4.263 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -2.148 9.802 -4.187 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -1.120 7.667 -3.622 1.00 0.00 C ATOM 1149 CZ PHE A 103 -2.221 8.543 -3.578 1.00 0.00 C ATOM 0 H PHE A 103 3.513 10.271 -6.638 1.00 0.00 H new ATOM 0 HA PHE A 103 1.177 8.753 -7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.285 9.222 -4.977 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.647 10.851 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.895 11.161 -5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.899 7.374 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -3.002 10.463 -4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.188 6.692 -3.162 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.127 8.243 -3.072 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.524 10.409 -8.044 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.534 11.280 -8.631 1.00 0.00 C ATOM 1161 C ARG A 104 -2.867 10.778 -8.129 1.00 0.00 C ATOM 1162 O ARG A 104 -2.890 9.797 -7.393 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.459 11.223 -10.165 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.082 11.573 -10.714 1.00 0.00 C ATOM 1165 CD ARG A 104 0.181 13.082 -10.656 1.00 0.00 C ATOM 1166 NE ARG A 104 1.612 13.388 -10.566 1.00 0.00 N ATOM 1167 CZ ARG A 104 2.200 14.538 -10.904 1.00 0.00 C ATOM 1168 NH1 ARG A 104 1.479 15.594 -11.254 1.00 0.00 N ATOM 1169 NH2 ARG A 104 3.520 14.608 -10.912 1.00 0.00 N ATOM 0 H ARG A 104 -0.800 9.427 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.382 12.322 -8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.732 10.222 -10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.195 11.910 -10.584 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.683 11.047 -10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.002 11.228 -11.745 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.236 13.557 -11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.335 13.507 -9.795 1.00 0.00 H new ATOM 0 HE ARG A 104 2.218 12.649 -10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.461 15.535 -11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.942 16.466 -11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.076 13.790 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.983 15.480 -11.168 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.965 11.371 -8.570 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.292 10.970 -8.160 1.00 0.00 C ATOM 1185 C GLU A 105 -5.927 10.210 -9.300 1.00 0.00 C ATOM 1186 O GLU A 105 -5.950 10.689 -10.430 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.106 12.218 -7.820 1.00 0.00 C ATOM 1188 CG GLU A 105 -5.642 12.779 -6.480 1.00 0.00 C ATOM 1189 CD GLU A 105 -4.427 13.720 -6.500 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -3.265 13.276 -6.380 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -4.646 14.956 -6.530 1.00 0.00 O ATOM 0 H GLU A 105 -3.955 12.150 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.254 10.331 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.985 12.968 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.167 11.972 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.478 13.314 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.410 11.940 -5.824 1.00 0.00 H new ATOM 1198 N GLY A 106 -6.419 9.021 -8.982 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.974 8.115 -9.967 1.00 0.00 C ATOM 1200 C GLY A 106 -5.872 7.353 -10.689 1.00 0.00 C ATOM 1201 O GLY A 106 -6.052 7.054 -11.869 1.00 0.00 O ATOM 0 H GLY A 106 -6.443 8.660 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.649 7.411 -9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.567 8.676 -10.690 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.738 7.058 -10.025 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.743 6.150 -10.609 1.00 0.00 C ATOM 1207 C GLN A 107 -3.569 4.918 -9.730 1.00 0.00 C ATOM 1208 O GLN A 107 -4.041 4.898 -8.590 1.00 0.00 O ATOM 1209 CB GLN A 107 -2.404 6.861 -10.832 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.873 7.494 -9.546 1.00 0.00 C ATOM 1211 CD GLN A 107 -0.375 7.383 -9.361 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.076 7.031 -8.281 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.412 7.764 -10.348 1.00 0.00 N ATOM 0 H GLN A 107 -4.495 7.427 -9.106 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.108 5.828 -11.584 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.674 6.148 -11.214 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.525 7.632 -11.593 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.150 8.548 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.367 7.025 -8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.009 8.053 -11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.424 7.770 -10.220 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.885 3.906 -10.261 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.537 2.721 -9.506 1.00 0.00 C ATOM 1224 C GLY A 108 -1.432 3.072 -8.524 1.00 0.00 C ATOM 1225 O GLY A 108 -0.437 3.683 -8.910 1.00 0.00 O ATOM 0 H GLY A 108 -2.560 3.892 -11.228 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.410 2.344 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.207 1.929 -10.178 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.577 2.647 -7.273 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.611 2.889 -6.205 1.00 0.00 C ATOM 1231 C VAL A 109 -0.313 1.552 -5.514 1.00 0.00 C ATOM 1232 O VAL A 109 -1.080 0.593 -5.655 1.00 0.00 O ATOM 1233 CB VAL A 109 -1.107 3.998 -5.239 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -1.972 5.070 -5.923 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.886 3.458 -4.034 1.00 0.00 C ATOM 0 H VAL A 109 -2.389 2.112 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 109 0.325 3.273 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.180 4.454 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.282 5.812 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.394 5.558 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.854 4.602 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.201 4.289 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.764 2.914 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.248 2.787 -3.459 1.00 0.00 H new ATOM 1245 N VAL A 110 0.749 1.504 -4.713 1.00 0.00 N ATOM 1246 CA VAL A 110 1.062 0.448 -3.767 1.00 0.00 C ATOM 1247 C VAL A 110 1.231 1.129 -2.412 1.00 0.00 C ATOM 1248 O VAL A 110 2.079 2.002 -2.235 1.00 0.00 O ATOM 1249 CB VAL A 110 2.297 -0.347 -4.251 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.063 -1.054 -3.124 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.879 -1.396 -5.297 1.00 0.00 C ATOM 0 H VAL A 110 1.450 2.245 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 110 0.275 -0.301 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 110 2.970 0.393 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.915 -1.590 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.417 -0.315 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.402 -1.760 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.758 -1.949 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.162 -2.087 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.420 -0.896 -6.150 1.00 0.00 H new ATOM 1261 N VAL A 111 0.379 0.791 -1.454 1.00 0.00 N ATOM 1262 CA VAL A 111 0.598 1.047 -0.044 1.00 0.00 C ATOM 1263 C VAL A 111 1.283 -0.173 0.574 1.00 0.00 C ATOM 1264 O VAL A 111 1.180 -1.299 0.088 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.782 1.350 0.564 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -1.006 0.951 2.019 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -1.077 2.831 0.414 1.00 0.00 C ATOM 0 H VAL A 111 -0.505 0.319 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 111 1.254 1.896 0.145 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.465 0.715 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.018 1.222 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.871 -0.125 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.288 1.471 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.054 3.053 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.313 3.409 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.076 3.097 -0.643 1.00 0.00 H new ATOM 1277 N GLN A 112 1.915 0.054 1.716 1.00 0.00 N ATOM 1278 CA GLN A 112 2.337 -0.955 2.670 1.00 0.00 C ATOM 1279 C GLN A 112 2.403 -0.287 4.029 1.00 0.00 C ATOM 1280 O GLN A 112 2.789 0.878 4.081 1.00 0.00 O ATOM 1281 CB GLN A 112 3.718 -1.504 2.267 1.00 0.00 C ATOM 1282 CG GLN A 112 4.371 -2.343 3.364 1.00 0.00 C ATOM 1283 CD GLN A 112 5.361 -3.372 2.834 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.372 -4.529 3.452 1.00 0.00 O flip ATOM 1285 NE2 GLN A 112 6.088 -3.174 1.871 1.00 0.00 N flip ATOM 0 H GLN A 112 2.159 0.998 2.016 1.00 0.00 H new ATOM 0 HA GLN A 112 1.639 -1.792 2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 112 3.613 -2.111 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.374 -0.671 2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 112 4.886 -1.680 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 112 3.593 -2.856 3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.072 -2.271 1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 112 6.710 -3.912 1.542 1.00 0.00 H new ATOM 1294 N GLY A 113 2.095 -1.027 5.093 1.00 0.00 N ATOM 1295 CA GLY A 113 2.467 -0.698 6.454 1.00 0.00 C ATOM 1296 C GLY A 113 1.768 -1.707 7.344 1.00 0.00 C ATOM 1297 O GLY A 113 2.186 -2.870 7.327 1.00 0.00 O ATOM 0 H GLY A 113 1.564 -1.895 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.548 -0.748 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.163 0.318 6.705 1.00 0.00 H new ATOM 1301 N GLU A 114 0.692 -1.330 8.035 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.002 -2.233 8.947 1.00 0.00 C ATOM 1303 C GLU A 114 -1.505 -2.024 8.828 1.00 0.00 C ATOM 1304 O GLU A 114 -1.964 -0.970 8.396 1.00 0.00 O ATOM 1305 CB GLU A 114 0.544 -2.030 10.371 1.00 0.00 C ATOM 1306 CG GLU A 114 0.201 -3.161 11.344 1.00 0.00 C ATOM 1307 CD GLU A 114 1.324 -3.468 12.337 1.00 0.00 C ATOM 1308 OE1 GLU A 114 2.286 -4.187 11.976 1.00 0.00 O ATOM 1309 OE2 GLU A 114 1.234 -3.058 13.518 1.00 0.00 O ATOM 0 H GLU A 114 0.281 -0.398 7.978 1.00 0.00 H new ATOM 0 HA GLU A 114 0.182 -3.275 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.628 -1.926 10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.152 -1.094 10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.700 -2.895 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.028 -4.062 10.776 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.275 -3.059 9.147 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.732 -2.983 9.150 1.00 0.00 C ATOM 1318 C LEU A 115 -4.184 -2.231 10.414 1.00 0.00 C ATOM 1319 O LEU A 115 -3.529 -2.344 11.457 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.310 -4.404 8.999 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.311 -4.499 7.817 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -5.836 -5.909 7.541 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.524 -3.575 7.933 1.00 0.00 C ATOM 0 H LEU A 115 -1.907 -3.973 9.410 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.119 -2.414 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.496 -5.112 8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.811 -4.692 9.923 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.688 -4.174 6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.528 -5.881 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.001 -6.568 7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.353 -6.284 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.168 -3.709 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.081 -3.818 8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.189 -2.539 7.980 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.257 -1.435 10.328 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.781 -0.662 11.450 1.00 0.00 C ATOM 1337 C GLU A 116 -7.048 -1.330 11.993 1.00 0.00 C ATOM 1338 O GLU A 116 -6.959 -2.060 12.976 1.00 0.00 O ATOM 1339 CB GLU A 116 -5.998 0.810 11.062 1.00 0.00 C ATOM 1340 CG GLU A 116 -5.996 1.703 12.315 1.00 0.00 C ATOM 1341 CD GLU A 116 -6.669 3.041 12.042 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -7.907 3.043 11.845 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -6.007 4.099 11.976 1.00 0.00 O ATOM 0 H GLU A 116 -5.788 -1.311 9.466 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.046 -0.652 12.254 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.213 1.131 10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.945 0.917 10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.512 1.193 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.970 1.870 12.644 1.00 0.00 H new ATOM 1350 N LYS A 117 -8.229 -1.083 11.407 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.474 -1.737 11.788 1.00 0.00 C ATOM 1352 C LYS A 117 -10.411 -1.870 10.596 1.00 0.00 C ATOM 1353 O LYS A 117 -10.474 -2.943 10.000 1.00 0.00 O ATOM 1354 CB LYS A 117 -10.099 -1.044 13.022 1.00 0.00 C ATOM 1355 CG LYS A 117 -10.286 -2.034 14.182 1.00 0.00 C ATOM 1356 CD LYS A 117 -11.703 -2.619 14.308 1.00 0.00 C ATOM 1357 CE LYS A 117 -12.160 -3.444 13.095 1.00 0.00 C ATOM 1358 NZ LYS A 117 -13.540 -3.953 13.261 1.00 0.00 N ATOM 0 H LYS A 117 -8.340 -0.413 10.646 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.265 -2.760 12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.460 -0.221 13.342 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.062 -0.612 12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.579 -2.854 14.059 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.031 -1.531 15.115 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.745 -3.249 15.197 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -12.408 -1.802 14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -12.106 -2.829 12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.479 -4.282 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.810 -4.504 12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.587 -4.561 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -14.194 -3.152 13.375 1.00 0.00 H new ATOM 1372 N GLY A 118 -11.161 -0.827 10.251 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.243 -0.913 9.285 1.00 0.00 C ATOM 1374 C GLY A 118 -11.718 -0.672 7.889 1.00 0.00 C ATOM 1375 O GLY A 118 -11.958 0.386 7.300 1.00 0.00 O ATOM 0 H GLY A 118 -11.031 0.107 10.639 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.712 -1.895 9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -13.012 -0.179 9.524 1.00 0.00 H new ATOM 1379 N ASN A 119 -11.004 -1.669 7.365 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.424 -1.665 6.025 1.00 0.00 C ATOM 1381 C ASN A 119 -9.604 -0.383 5.834 1.00 0.00 C ATOM 1382 O ASN A 119 -9.862 0.416 4.932 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.512 -1.844 4.944 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.587 -2.860 5.296 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -13.750 -2.503 5.475 1.00 0.00 O ATOM 1386 ND2 ASN A 119 -12.240 -4.124 5.454 1.00 0.00 N ATOM 0 H ASN A 119 -10.808 -2.528 7.879 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.751 -2.516 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.987 -0.880 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.035 -2.147 4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -12.939 -4.815 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -11.273 -4.410 5.303 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.636 -0.168 6.725 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.792 1.013 6.756 1.00 0.00 C ATOM 1395 C HIS A 120 -6.371 0.539 6.971 1.00 0.00 C ATOM 1396 O HIS A 120 -6.108 -0.181 7.931 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.230 1.943 7.891 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.376 3.181 8.075 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.348 3.967 9.206 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.438 3.692 7.213 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.430 4.928 9.022 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.885 4.818 7.805 1.00 0.00 N ATOM 0 H HIS A 120 -8.416 -0.835 7.465 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.869 1.574 5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.258 2.254 7.708 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.229 1.378 8.823 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.924 3.840 10.038 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.177 3.289 6.246 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.169 5.681 9.751 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.482 0.913 6.065 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.065 0.644 6.131 1.00 0.00 C ATOM 1412 C ILE A 121 -3.382 1.884 6.704 1.00 0.00 C ATOM 1413 O ILE A 121 -3.542 2.991 6.181 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.548 0.318 4.713 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.506 -0.514 3.824 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.184 -0.367 4.851 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.812 -1.920 4.345 1.00 0.00 C ATOM 0 H ILE A 121 -5.746 1.435 5.229 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.848 -0.211 6.771 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.471 1.266 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.444 0.030 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.072 -0.598 2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.796 -0.608 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.490 0.303 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.294 -1.283 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.490 -2.424 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.885 -2.489 4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.279 -1.850 5.327 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.531 1.688 7.700 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.495 2.649 8.016 1.00 0.00 C ATOM 1431 C LEU A 122 -0.441 2.381 6.972 1.00 0.00 C ATOM 1432 O LEU A 122 0.169 1.312 6.964 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.866 2.392 9.386 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.579 3.033 10.570 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.586 4.564 10.550 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -3.029 2.607 10.718 1.00 0.00 C ATOM 0 H LEU A 122 -2.541 0.866 8.304 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.892 3.664 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.824 1.315 9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.163 2.752 9.367 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.984 2.671 11.409 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.113 4.937 11.428 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.560 4.933 10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.089 4.914 9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.468 3.105 11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.583 2.882 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.079 1.527 10.858 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.275 3.306 6.048 1.00 0.00 N ATOM 1449 CA ALA A 123 0.851 3.297 5.153 1.00 0.00 C ATOM 1450 C ALA A 123 2.108 3.716 5.901 1.00 0.00 C ATOM 1451 O ALA A 123 2.072 4.488 6.857 1.00 0.00 O ATOM 1452 CB ALA A 123 0.575 4.251 4.009 1.00 0.00 C ATOM 0 H ALA A 123 -0.920 4.082 5.901 1.00 0.00 H new ATOM 0 HA ALA A 123 1.004 2.293 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.423 4.252 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.321 3.932 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.425 5.257 4.402 1.00 0.00 H new ATOM 1458 N LYS A 124 3.226 3.244 5.367 1.00 0.00 N ATOM 1459 CA LYS A 124 4.579 3.545 5.795 1.00 0.00 C ATOM 1460 C LYS A 124 5.406 4.179 4.676 1.00 0.00 C ATOM 1461 O LYS A 124 6.429 4.784 4.986 1.00 0.00 O ATOM 1462 CB LYS A 124 5.184 2.286 6.446 1.00 0.00 C ATOM 1463 CG LYS A 124 5.845 1.280 5.487 1.00 0.00 C ATOM 1464 CD LYS A 124 7.330 1.608 5.280 1.00 0.00 C ATOM 1465 CE LYS A 124 8.277 0.971 6.303 1.00 0.00 C ATOM 1466 NZ LYS A 124 8.237 1.599 7.642 1.00 0.00 N ATOM 0 H LYS A 124 3.208 2.602 4.575 1.00 0.00 H new ATOM 0 HA LYS A 124 4.578 4.319 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.927 2.602 7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.396 1.770 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.745 0.271 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.329 1.295 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.624 1.283 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.457 2.690 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.028 -0.086 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.296 1.024 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.065 1.294 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.251 2.634 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.368 1.311 8.135 1.00 0.00 H new ATOM 1480 N GLU A 125 5.002 4.068 3.401 1.00 0.00 N ATOM 1481 CA GLU A 125 5.781 4.632 2.297 1.00 0.00 C ATOM 1482 C GLU A 125 4.988 5.232 1.142 1.00 0.00 C ATOM 1483 O GLU A 125 5.367 6.308 0.700 1.00 0.00 O ATOM 1484 CB GLU A 125 6.807 3.607 1.791 1.00 0.00 C ATOM 1485 CG GLU A 125 6.233 2.367 1.073 1.00 0.00 C ATOM 1486 CD GLU A 125 7.313 1.448 0.471 1.00 0.00 C ATOM 1487 OE1 GLU A 125 8.428 1.910 0.139 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.015 0.242 0.290 1.00 0.00 O ATOM 0 H GLU A 125 4.145 3.595 3.114 1.00 0.00 H new ATOM 0 HA GLU A 125 6.284 5.495 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.489 4.113 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.400 3.267 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.633 1.794 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.563 2.695 0.278 1.00 0.00 H new ATOM 1495 N VAL A 126 3.919 4.570 0.683 1.00 0.00 N ATOM 1496 CA VAL A 126 3.146 4.916 -0.509 1.00 0.00 C ATOM 1497 C VAL A 126 4.000 5.045 -1.782 1.00 0.00 C ATOM 1498 O VAL A 126 4.908 5.858 -1.912 1.00 0.00 O ATOM 1499 CB VAL A 126 2.279 6.156 -0.244 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.492 6.546 -1.508 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.237 5.862 0.839 1.00 0.00 C ATOM 0 H VAL A 126 3.556 3.742 1.156 1.00 0.00 H new ATOM 0 HA VAL A 126 2.481 4.077 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 126 2.952 6.956 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.884 7.426 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.189 6.768 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.845 5.720 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.632 6.752 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.594 5.044 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.742 5.580 1.763 1.00 0.00 H new ATOM 1511 N LEU A 127 3.655 4.242 -2.781 1.00 0.00 N ATOM 1512 CA LEU A 127 4.370 4.130 -4.037 1.00 0.00 C ATOM 1513 C LEU A 127 3.365 4.248 -5.162 1.00 0.00 C ATOM 1514 O LEU A 127 2.197 3.894 -5.002 1.00 0.00 O ATOM 1515 CB LEU A 127 5.051 2.760 -4.092 1.00 0.00 C ATOM 1516 CG LEU A 127 6.150 2.586 -3.032 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.419 1.092 -2.868 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.391 3.398 -3.410 1.00 0.00 C ATOM 0 H LEU A 127 2.840 3.631 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 127 5.124 4.912 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.299 1.982 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.484 2.617 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 127 5.833 2.976 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.197 0.942 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.506 0.591 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.747 0.675 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.160 3.264 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.770 3.056 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.128 4.454 -3.478 1.00 0.00 H new ATOM 1530 N ALA A 128 3.829 4.668 -6.327 1.00 0.00 N ATOM 1531 CA ALA A 128 3.031 4.912 -7.517 1.00 0.00 C ATOM 1532 C ALA A 128 3.488 3.966 -8.638 1.00 0.00 C ATOM 1533 O ALA A 128 3.605 4.359 -9.798 1.00 0.00 O ATOM 1534 CB ALA A 128 3.150 6.400 -7.841 1.00 0.00 C ATOM 0 H ALA A 128 4.820 4.857 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 128 1.972 4.694 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.563 6.627 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.776 6.986 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.195 6.651 -8.022 1.00 0.00 H new ATOM 1540 N LYS A 129 3.784 2.711 -8.264 1.00 0.00 N ATOM 1541 CA LYS A 129 4.293 1.636 -9.128 1.00 0.00 C ATOM 1542 C LYS A 129 5.338 2.114 -10.140 1.00 0.00 C ATOM 1543 O LYS A 129 5.212 1.898 -11.347 1.00 0.00 O ATOM 1544 CB LYS A 129 3.125 0.896 -9.795 1.00 0.00 C ATOM 1545 CG LYS A 129 2.306 0.060 -8.804 1.00 0.00 C ATOM 1546 CD LYS A 129 0.811 0.371 -8.901 1.00 0.00 C ATOM 1547 CE LYS A 129 -0.008 -0.743 -8.242 1.00 0.00 C ATOM 1548 NZ LYS A 129 -0.522 -1.724 -9.213 1.00 0.00 N ATOM 0 H LYS A 129 3.668 2.403 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 129 4.826 0.931 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.471 1.621 -10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.513 0.245 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.471 -1.000 -8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 129 2.653 0.255 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.599 1.324 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.521 0.475 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 129 0.611 -1.257 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.845 -0.301 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -1.068 -2.454 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -1.136 -1.243 -9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 0.275 -2.169 -9.712 1.00 0.00 H new