USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 58 ASN : amide:sc= -0.0155 K(o=-0.19,f=-4.6!) USER MOD Set 1.2: A 77 SER OG : rot 140:sc= -0.174 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS :FLIP no HE2:sc= 0.0511 F(o=-0.69,f=0.051) USER MOD Single : A 30 THR OG1 : rot -161:sc= -1.48 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 72:sc= 0.874 USER MOD Single : A 60 GLN : amide:sc= -0.642 K(o=-0.64,f=-1.6) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.541 K(o=-0.54,f=-2.6!) USER MOD Single : A 65 MET CE :methyl -109:sc= -2.04 (180deg=-6!) USER MOD Single : A 67 HIS : no HE2:sc= -0.315 X(o=-0.32,f=-0.26) USER MOD Single : A 71 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc=-0.00976 X(o=-0.0098,f=-0.0074) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.964 12.869 2.244 1.00 0.00 N ATOM 60 CA GLY A 7 -1.664 11.464 2.026 1.00 0.00 C ATOM 61 C GLY A 7 -0.952 10.860 3.238 1.00 0.00 C ATOM 62 O GLY A 7 -0.023 11.459 3.778 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.587 10.917 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.038 11.355 1.141 1.00 0.00 H new ATOM 66 N LEU A 8 -1.414 9.682 3.630 1.00 0.00 N ATOM 67 CA LEU A 8 -0.832 8.991 4.768 1.00 0.00 C ATOM 68 C LEU A 8 -0.032 7.785 4.273 1.00 0.00 C ATOM 69 O LEU A 8 -0.269 7.288 3.173 1.00 0.00 O ATOM 70 CB LEU A 8 -1.915 8.633 5.788 1.00 0.00 C ATOM 71 CG LEU A 8 -1.873 7.206 6.338 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.555 7.125 7.705 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.473 6.215 5.338 1.00 0.00 C ATOM 0 H LEU A 8 -2.185 9.188 3.180 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.134 9.643 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.841 9.326 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.889 8.795 5.326 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.829 6.926 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.511 6.100 8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.044 7.785 8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.596 7.432 7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.431 5.208 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.511 6.482 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.905 6.248 4.408 1.00 0.00 H new ATOM 85 N THR A 9 0.901 7.351 5.108 1.00 0.00 N ATOM 86 CA THR A 9 1.738 6.213 4.768 1.00 0.00 C ATOM 87 C THR A 9 1.459 5.044 5.716 1.00 0.00 C ATOM 88 O THR A 9 0.957 5.243 6.821 1.00 0.00 O ATOM 89 CB THR A 9 3.196 6.676 4.787 1.00 0.00 C ATOM 90 OG1 THR A 9 3.169 7.932 4.114 1.00 0.00 O ATOM 91 CG2 THR A 9 4.099 5.804 3.912 1.00 0.00 C ATOM 0 H THR A 9 1.096 7.767 6.019 1.00 0.00 H new ATOM 0 HA THR A 9 1.513 5.841 3.768 1.00 0.00 H new ATOM 0 HB THR A 9 3.566 6.667 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.074 8.306 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.122 6.176 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.069 4.775 4.270 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.750 5.839 2.880 1.00 0.00 H new ATOM 99 N VAL A 10 1.798 3.852 5.249 1.00 0.00 N ATOM 100 CA VAL A 10 1.591 2.651 6.041 1.00 0.00 C ATOM 101 C VAL A 10 2.810 1.737 5.902 1.00 0.00 C ATOM 102 O VAL A 10 3.293 1.504 4.795 1.00 0.00 O ATOM 103 CB VAL A 10 0.284 1.971 5.628 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.120 1.976 4.107 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.208 0.547 6.183 1.00 0.00 C ATOM 0 H VAL A 10 2.215 3.692 4.332 1.00 0.00 H new ATOM 0 HA VAL A 10 1.492 2.902 7.097 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.540 2.542 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.817 1.487 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.108 3.004 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.952 1.440 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.731 0.086 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.043 -0.038 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.257 0.578 7.271 1.00 0.00 H new ATOM 115 N ASP A 11 3.274 1.245 7.042 1.00 0.00 N ATOM 116 CA ASP A 11 4.427 0.362 7.062 1.00 0.00 C ATOM 117 C ASP A 11 3.965 -1.068 7.347 1.00 0.00 C ATOM 118 O ASP A 11 3.533 -1.375 8.458 1.00 0.00 O ATOM 119 CB ASP A 11 5.413 0.768 8.159 1.00 0.00 C ATOM 120 CG ASP A 11 4.773 1.358 9.417 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.633 0.944 9.722 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.438 2.210 10.046 1.00 0.00 O ATOM 0 H ASP A 11 2.872 1.442 7.958 1.00 0.00 H new ATOM 0 HA ASP A 11 4.919 0.429 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.998 -0.107 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.111 1.498 7.748 1.00 0.00 H new ATOM 127 N VAL A 12 4.071 -1.906 6.326 1.00 0.00 N ATOM 128 CA VAL A 12 3.669 -3.296 6.454 1.00 0.00 C ATOM 129 C VAL A 12 4.903 -4.156 6.735 1.00 0.00 C ATOM 130 O VAL A 12 5.797 -4.257 5.896 1.00 0.00 O ATOM 131 CB VAL A 12 2.906 -3.737 5.203 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.289 -5.124 5.397 1.00 0.00 C ATOM 133 CG2 VAL A 12 1.837 -2.710 4.822 1.00 0.00 C ATOM 0 H VAL A 12 4.430 -1.649 5.406 1.00 0.00 H new ATOM 0 HA VAL A 12 2.988 -3.420 7.296 1.00 0.00 H new ATOM 0 HB VAL A 12 3.619 -3.800 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.753 -5.413 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.078 -5.848 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.596 -5.100 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.310 -3.048 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.128 -2.601 5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.311 -1.749 4.621 1.00 0.00 H new ATOM 143 N ALA A 13 4.911 -4.753 7.918 1.00 0.00 N ATOM 144 CA ALA A 13 6.021 -5.600 8.320 1.00 0.00 C ATOM 145 C ALA A 13 6.073 -6.830 7.411 1.00 0.00 C ATOM 146 O ALA A 13 5.115 -7.599 7.346 1.00 0.00 O ATOM 147 CB ALA A 13 5.871 -5.972 9.796 1.00 0.00 C ATOM 0 H ALA A 13 4.167 -4.667 8.610 1.00 0.00 H new ATOM 0 HA ALA A 13 6.967 -5.070 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.704 -6.607 10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.869 -5.065 10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.934 -6.509 9.943 1.00 0.00 H new ATOM 153 N GLY A 14 7.202 -6.979 6.734 1.00 0.00 N ATOM 154 CA GLY A 14 7.391 -8.102 5.832 1.00 0.00 C ATOM 155 C GLY A 14 7.972 -9.308 6.573 1.00 0.00 C ATOM 156 O GLY A 14 7.963 -9.349 7.802 1.00 0.00 O ATOM 0 H GLY A 14 7.995 -6.340 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.438 -8.374 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.059 -7.813 5.020 1.00 0.00 H new ATOM 160 N PRO A 15 8.477 -10.285 5.773 1.00 0.00 N ATOM 161 CA PRO A 15 8.449 -10.158 4.326 1.00 0.00 C ATOM 162 C PRO A 15 7.038 -10.394 3.783 1.00 0.00 C ATOM 163 O PRO A 15 6.063 -10.334 4.530 1.00 0.00 O ATOM 164 CB PRO A 15 9.458 -11.176 3.821 1.00 0.00 C ATOM 165 CG PRO A 15 9.672 -12.153 4.966 1.00 0.00 C ATOM 166 CD PRO A 15 9.086 -11.533 6.224 1.00 0.00 C ATOM 0 HA PRO A 15 8.712 -9.156 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.085 -11.689 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.394 -10.693 3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.189 -13.106 4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.734 -12.357 5.100 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.348 -12.191 6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.858 -11.350 6.972 1.00 0.00 H new ATOM 174 N ALA A 16 6.974 -10.657 2.486 1.00 0.00 N ATOM 175 CA ALA A 16 5.700 -10.902 1.834 1.00 0.00 C ATOM 176 C ALA A 16 5.272 -12.349 2.087 1.00 0.00 C ATOM 177 O ALA A 16 6.070 -13.165 2.547 1.00 0.00 O ATOM 178 CB ALA A 16 5.819 -10.582 0.342 1.00 0.00 C ATOM 0 H ALA A 16 7.785 -10.706 1.869 1.00 0.00 H new ATOM 0 HA ALA A 16 4.928 -10.253 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.862 -10.766 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.096 -9.535 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.584 -11.216 -0.106 1.00 0.00 H new ATOM 184 N PRO A 17 3.981 -12.632 1.766 1.00 0.00 N ATOM 185 CA PRO A 17 3.103 -11.608 1.226 1.00 0.00 C ATOM 186 C PRO A 17 2.655 -10.637 2.319 1.00 0.00 C ATOM 187 O PRO A 17 3.025 -10.792 3.482 1.00 0.00 O ATOM 188 CB PRO A 17 1.947 -12.372 0.600 1.00 0.00 C ATOM 189 CG PRO A 17 1.983 -13.761 1.215 1.00 0.00 C ATOM 190 CD PRO A 17 3.325 -13.928 1.910 1.00 0.00 C ATOM 0 HA PRO A 17 3.596 -10.979 0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.997 -11.879 0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.053 -12.422 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.167 -13.885 1.926 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.854 -14.523 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.197 -14.193 2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.913 -14.723 1.450 1.00 0.00 H new ATOM 198 N TRP A 18 1.865 -9.656 1.908 1.00 0.00 N ATOM 199 CA TRP A 18 1.363 -8.659 2.838 1.00 0.00 C ATOM 200 C TRP A 18 0.013 -9.146 3.370 1.00 0.00 C ATOM 201 O TRP A 18 -0.170 -9.279 4.579 1.00 0.00 O ATOM 202 CB TRP A 18 1.283 -7.282 2.176 1.00 0.00 C ATOM 203 CG TRP A 18 2.511 -6.922 1.338 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.584 -6.754 0.010 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.849 -6.692 1.828 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.865 -6.433 -0.390 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.659 -6.395 0.750 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.358 -6.734 3.137 1.00 0.00 C ATOM 209 CZ2 TRP A 18 6.026 -6.116 0.873 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.726 -6.454 3.243 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.555 -6.152 2.168 1.00 0.00 C ATOM 0 H TRP A 18 1.560 -9.530 0.943 1.00 0.00 H new ATOM 0 HA TRP A 18 2.046 -8.538 3.679 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.399 -7.247 1.540 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.149 -6.526 2.949 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.745 -6.857 -0.663 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.173 -6.256 -1.346 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.743 -6.964 3.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.639 -5.885 0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.168 -6.474 4.228 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.602 -5.946 2.332 1.00 0.00 H new ATOM 222 N GLY A 19 -0.897 -9.398 2.440 1.00 0.00 N ATOM 223 CA GLY A 19 -2.224 -9.867 2.801 1.00 0.00 C ATOM 224 C GLY A 19 -3.294 -8.853 2.390 1.00 0.00 C ATOM 225 O GLY A 19 -4.300 -8.694 3.080 1.00 0.00 O ATOM 0 H GLY A 19 -0.741 -9.286 1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.420 -10.824 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.273 -10.038 3.876 1.00 0.00 H new ATOM 229 N PHE A 20 -3.040 -8.193 1.270 1.00 0.00 N ATOM 230 CA PHE A 20 -3.969 -7.199 0.760 1.00 0.00 C ATOM 231 C PHE A 20 -4.001 -7.213 -0.770 1.00 0.00 C ATOM 232 O PHE A 20 -3.007 -7.547 -1.413 1.00 0.00 O ATOM 233 CB PHE A 20 -3.468 -5.834 1.235 1.00 0.00 C ATOM 234 CG PHE A 20 -2.221 -5.338 0.500 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.328 -4.839 -0.760 1.00 0.00 C ATOM 236 CD2 PHE A 20 -1.006 -5.396 1.108 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.170 -4.379 -1.442 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.152 -4.936 0.426 1.00 0.00 C ATOM 239 CZ PHE A 20 0.045 -4.437 -0.835 1.00 0.00 C ATOM 0 H PHE A 20 -2.204 -8.327 0.701 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.976 -7.411 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.266 -5.102 1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.250 -5.889 2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.293 -4.792 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.922 -5.792 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.255 -3.983 -2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.117 -4.982 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.925 -4.087 -1.354 1.00 0.00 H new ATOM 249 N ARG A 21 -5.154 -6.846 -1.309 1.00 0.00 N ATOM 250 CA ARG A 21 -5.329 -6.812 -2.751 1.00 0.00 C ATOM 251 C ARG A 21 -5.381 -5.365 -3.246 1.00 0.00 C ATOM 252 O ARG A 21 -5.238 -4.431 -2.458 1.00 0.00 O ATOM 253 CB ARG A 21 -6.614 -7.532 -3.167 1.00 0.00 C ATOM 254 CG ARG A 21 -6.395 -9.044 -3.244 1.00 0.00 C ATOM 255 CD ARG A 21 -7.505 -9.719 -4.053 1.00 0.00 C ATOM 256 NE ARG A 21 -7.143 -11.126 -4.333 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.813 -11.919 -5.180 1.00 0.00 C ATOM 258 NH1 ARG A 21 -8.883 -11.449 -5.834 1.00 0.00 N ATOM 259 NH2 ARG A 21 -7.412 -13.183 -5.373 1.00 0.00 N ATOM 0 H ARG A 21 -5.977 -6.569 -0.773 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.477 -7.323 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.406 -7.312 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.947 -7.159 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.428 -9.252 -3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.367 -9.463 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.444 -9.679 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.662 -9.182 -4.989 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.333 -11.517 -3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.188 -10.487 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.393 -12.053 -6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.597 -13.541 -4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.922 -13.787 -6.018 1.00 0.00 H new ATOM 273 N ILE A 22 -5.585 -5.225 -4.547 1.00 0.00 N ATOM 274 CA ILE A 22 -5.657 -3.908 -5.156 1.00 0.00 C ATOM 275 C ILE A 22 -6.521 -3.979 -6.416 1.00 0.00 C ATOM 276 O ILE A 22 -6.867 -5.067 -6.875 1.00 0.00 O ATOM 277 CB ILE A 22 -4.252 -3.355 -5.404 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.483 -4.235 -6.391 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.494 -3.172 -4.087 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.409 -3.428 -7.124 1.00 0.00 C ATOM 0 H ILE A 22 -5.703 -6.002 -5.197 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.138 -3.202 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.348 -2.369 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.019 -5.065 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.175 -4.667 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.499 -2.778 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.036 -2.474 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.407 -4.133 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.877 -4.077 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.879 -2.613 -7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.705 -3.018 -6.400 1.00 0.00 H new ATOM 292 N SER A 23 -6.845 -2.807 -6.941 1.00 0.00 N ATOM 293 CA SER A 23 -7.662 -2.723 -8.140 1.00 0.00 C ATOM 294 C SER A 23 -7.221 -1.530 -8.991 1.00 0.00 C ATOM 295 O SER A 23 -6.279 -0.824 -8.636 1.00 0.00 O ATOM 296 CB SER A 23 -9.146 -2.604 -7.787 1.00 0.00 C ATOM 297 OG SER A 23 -9.954 -3.470 -8.581 1.00 0.00 O ATOM 0 H SER A 23 -6.556 -1.907 -6.558 1.00 0.00 H new ATOM 0 HA SER A 23 -7.525 -3.640 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.288 -2.841 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.471 -1.573 -7.929 1.00 0.00 H new ATOM 0 HG SER A 23 -10.894 -3.366 -8.325 1.00 0.00 H new ATOM 303 N GLY A 24 -7.924 -1.342 -10.098 1.00 0.00 N ATOM 304 CA GLY A 24 -7.618 -0.247 -11.002 1.00 0.00 C ATOM 305 C GLY A 24 -6.162 -0.312 -11.469 1.00 0.00 C ATOM 306 O GLY A 24 -5.651 -1.389 -11.773 1.00 0.00 O ATOM 0 H GLY A 24 -8.705 -1.930 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.283 -0.287 -11.865 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.801 0.704 -10.502 1.00 0.00 H new ATOM 310 N GLY A 25 -5.535 0.854 -11.510 1.00 0.00 N ATOM 311 CA GLY A 25 -4.148 0.943 -11.934 1.00 0.00 C ATOM 312 C GLY A 25 -4.015 1.789 -13.202 1.00 0.00 C ATOM 313 O GLY A 25 -5.013 2.266 -13.741 1.00 0.00 O ATOM 0 H GLY A 25 -5.962 1.745 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.548 1.380 -11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.755 -0.057 -12.117 1.00 0.00 H new ATOM 317 N ARG A 26 -2.776 1.949 -13.641 1.00 0.00 N ATOM 318 CA ARG A 26 -2.500 2.728 -14.836 1.00 0.00 C ATOM 319 C ARG A 26 -3.037 2.009 -16.075 1.00 0.00 C ATOM 320 O ARG A 26 -3.206 2.622 -17.128 1.00 0.00 O ATOM 321 CB ARG A 26 -0.998 2.966 -15.004 1.00 0.00 C ATOM 322 CG ARG A 26 -0.688 3.568 -16.376 1.00 0.00 C ATOM 323 CD ARG A 26 0.479 4.554 -16.291 1.00 0.00 C ATOM 324 NE ARG A 26 0.896 4.963 -17.651 1.00 0.00 N ATOM 325 CZ ARG A 26 1.658 4.216 -18.461 1.00 0.00 C ATOM 326 NH1 ARG A 26 2.093 3.016 -18.053 1.00 0.00 N ATOM 327 NH2 ARG A 26 1.986 4.669 -19.679 1.00 0.00 N ATOM 0 H ARG A 26 -1.951 1.552 -13.191 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.999 3.691 -14.726 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.642 3.635 -14.221 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.462 2.024 -14.887 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.446 2.772 -17.080 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.571 4.077 -16.762 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.184 5.430 -15.713 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.317 4.094 -15.768 1.00 0.00 H new ATOM 0 HE ARG A 26 0.583 5.872 -17.993 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.844 2.671 -17.126 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.673 2.447 -18.670 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.655 5.583 -19.989 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.566 4.100 -20.296 1.00 0.00 H new ATOM 341 N ASP A 27 -3.291 0.720 -15.908 1.00 0.00 N ATOM 342 CA ASP A 27 -3.806 -0.089 -17.000 1.00 0.00 C ATOM 343 C ASP A 27 -5.278 0.257 -17.235 1.00 0.00 C ATOM 344 O ASP A 27 -5.702 0.439 -18.375 1.00 0.00 O ATOM 345 CB ASP A 27 -3.717 -1.580 -16.670 1.00 0.00 C ATOM 346 CG ASP A 27 -3.224 -2.468 -17.814 1.00 0.00 C ATOM 347 OD1 ASP A 27 -3.664 -2.217 -18.957 1.00 0.00 O ATOM 348 OD2 ASP A 27 -2.419 -3.377 -17.520 1.00 0.00 O ATOM 0 H ASP A 27 -3.150 0.215 -15.033 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.207 0.120 -17.887 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.050 -1.709 -15.817 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.702 -1.927 -16.359 1.00 0.00 H new ATOM 353 N PHE A 28 -6.017 0.335 -16.137 1.00 0.00 N ATOM 354 CA PHE A 28 -7.432 0.656 -16.210 1.00 0.00 C ATOM 355 C PHE A 28 -7.659 2.165 -16.097 1.00 0.00 C ATOM 356 O PHE A 28 -8.792 2.615 -15.936 1.00 0.00 O ATOM 357 CB PHE A 28 -8.109 -0.040 -15.027 1.00 0.00 C ATOM 358 CG PHE A 28 -8.171 -1.563 -15.154 1.00 0.00 C ATOM 359 CD1 PHE A 28 -7.098 -2.320 -14.800 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.300 -2.161 -15.622 1.00 0.00 C ATOM 361 CE1 PHE A 28 -7.156 -3.734 -14.918 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.358 -3.575 -15.740 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.285 -4.331 -15.385 1.00 0.00 C ATOM 0 H PHE A 28 -5.662 0.181 -15.193 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.840 0.325 -17.165 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.574 0.217 -14.113 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -9.123 0.347 -14.922 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.201 -1.846 -14.429 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.152 -1.560 -15.904 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.304 -4.335 -14.637 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.254 -4.050 -16.112 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.329 -5.406 -15.474 1.00 0.00 H new ATOM 373 N HIS A 29 -6.563 2.904 -16.185 1.00 0.00 N ATOM 374 CA HIS A 29 -6.628 4.353 -16.094 1.00 0.00 C ATOM 375 C HIS A 29 -7.230 4.756 -14.746 1.00 0.00 C ATOM 376 O HIS A 29 -7.783 5.846 -14.611 1.00 0.00 O ATOM 377 CB HIS A 29 -7.393 4.938 -17.283 1.00 0.00 C ATOM 378 CG HIS A 29 -6.744 4.672 -18.621 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.241 3.522 -19.155 1.00 0.00 N flip ATOM 380 CD2 HIS A 29 -6.558 5.659 -19.573 1.00 0.00 C flip ATOM 381 CE1 HIS A 29 -5.773 3.792 -20.367 1.00 0.00 C flip ATOM 382 NE2 HIS A 29 -5.968 5.116 -20.628 1.00 0.00 N flip ATOM 0 H HIS A 29 -5.625 2.527 -16.318 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.622 4.770 -16.143 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.402 4.525 -17.291 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.490 6.015 -17.145 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -6.227 2.609 -18.700 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.845 6.695 -19.473 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.313 3.080 -21.037 1.00 0.00 H new ATOM 390 N THR A 30 -7.101 3.855 -13.784 1.00 0.00 N ATOM 391 CA THR A 30 -7.625 4.103 -12.451 1.00 0.00 C ATOM 392 C THR A 30 -6.507 4.003 -11.411 1.00 0.00 C ATOM 393 O THR A 30 -5.477 3.379 -11.660 1.00 0.00 O ATOM 394 CB THR A 30 -8.773 3.123 -12.205 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.340 1.917 -12.828 1.00 0.00 O ATOM 396 CG2 THR A 30 -10.042 3.504 -12.971 1.00 0.00 C ATOM 0 H THR A 30 -6.641 2.952 -13.900 1.00 0.00 H new ATOM 0 HA THR A 30 -8.018 5.116 -12.363 1.00 0.00 H new ATOM 0 HB THR A 30 -8.992 3.081 -11.138 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.112 1.335 -12.986 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.826 2.776 -12.761 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.373 4.494 -12.657 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.832 3.514 -14.041 1.00 0.00 H new ATOM 404 N PRO A 31 -6.755 4.644 -10.238 1.00 0.00 N ATOM 405 CA PRO A 31 -5.781 4.633 -9.159 1.00 0.00 C ATOM 406 C PRO A 31 -5.760 3.275 -8.454 1.00 0.00 C ATOM 407 O PRO A 31 -6.781 2.594 -8.380 1.00 0.00 O ATOM 408 CB PRO A 31 -6.197 5.772 -8.242 1.00 0.00 C ATOM 409 CG PRO A 31 -7.645 6.079 -8.589 1.00 0.00 C ATOM 410 CD PRO A 31 -7.964 5.393 -9.908 1.00 0.00 C ATOM 0 HA PRO A 31 -4.760 4.776 -9.512 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.099 5.486 -7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.565 6.647 -8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.310 5.722 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.798 7.155 -8.672 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.826 4.732 -9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.204 6.119 -10.684 1.00 0.00 H new ATOM 418 N ILE A 32 -4.585 2.923 -7.953 1.00 0.00 N ATOM 419 CA ILE A 32 -4.417 1.659 -7.256 1.00 0.00 C ATOM 420 C ILE A 32 -5.148 1.721 -5.913 1.00 0.00 C ATOM 421 O ILE A 32 -4.640 2.296 -4.952 1.00 0.00 O ATOM 422 CB ILE A 32 -2.933 1.308 -7.132 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.274 1.220 -8.510 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.738 0.026 -6.320 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.371 -0.199 -9.075 1.00 0.00 C ATOM 0 H ILE A 32 -3.740 3.491 -8.016 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.866 0.847 -7.827 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.436 2.111 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.755 1.921 -9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.227 1.515 -8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.674 -0.200 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.149 0.163 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.252 -0.799 -6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.895 -0.234 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.868 -0.894 -8.402 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.419 -0.482 -9.171 1.00 0.00 H new ATOM 437 N ILE A 33 -6.329 1.120 -5.890 1.00 0.00 N ATOM 438 CA ILE A 33 -7.135 1.100 -4.681 1.00 0.00 C ATOM 439 C ILE A 33 -7.159 -0.321 -4.114 1.00 0.00 C ATOM 440 O ILE A 33 -7.063 -1.293 -4.861 1.00 0.00 O ATOM 441 CB ILE A 33 -8.525 1.677 -4.955 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.450 3.180 -5.232 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.488 1.353 -3.811 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.193 3.537 -6.521 1.00 0.00 C ATOM 0 H ILE A 33 -6.747 0.643 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.694 1.741 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.920 1.203 -5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.881 3.730 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.407 3.487 -5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.469 1.775 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.574 0.272 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.108 1.782 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.125 4.611 -6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.744 3.004 -7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.241 3.251 -6.428 1.00 0.00 H new ATOM 456 N VAL A 34 -7.289 -0.396 -2.798 1.00 0.00 N ATOM 457 CA VAL A 34 -7.327 -1.681 -2.122 1.00 0.00 C ATOM 458 C VAL A 34 -8.757 -2.226 -2.151 1.00 0.00 C ATOM 459 O VAL A 34 -9.713 -1.479 -1.949 1.00 0.00 O ATOM 460 CB VAL A 34 -6.769 -1.544 -0.704 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.868 -2.869 0.055 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.327 -1.033 -0.729 1.00 0.00 C ATOM 0 H VAL A 34 -7.369 0.413 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.693 -2.402 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.376 -0.809 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.465 -2.744 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.912 -3.175 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.298 -3.634 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.955 -0.945 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.702 -1.733 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.295 -0.057 -1.213 1.00 0.00 H new ATOM 472 N THR A 35 -8.857 -3.522 -2.404 1.00 0.00 N ATOM 473 CA THR A 35 -10.154 -4.175 -2.462 1.00 0.00 C ATOM 474 C THR A 35 -10.419 -4.953 -1.171 1.00 0.00 C ATOM 475 O THR A 35 -11.466 -4.790 -0.548 1.00 0.00 O ATOM 476 CB THR A 35 -10.187 -5.051 -3.716 1.00 0.00 C ATOM 477 OG1 THR A 35 -9.335 -6.147 -3.397 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.504 -4.385 -4.913 1.00 0.00 C ATOM 0 H THR A 35 -8.061 -4.138 -2.571 1.00 0.00 H new ATOM 0 HA THR A 35 -10.960 -3.445 -2.536 1.00 0.00 H new ATOM 0 HB THR A 35 -11.222 -5.282 -3.970 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.300 -6.766 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.555 -5.048 -5.776 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.009 -3.448 -5.145 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.460 -4.184 -4.671 1.00 0.00 H new ATOM 486 N LYS A 36 -9.450 -5.781 -0.808 1.00 0.00 N ATOM 487 CA LYS A 36 -9.565 -6.584 0.397 1.00 0.00 C ATOM 488 C LYS A 36 -8.305 -6.404 1.246 1.00 0.00 C ATOM 489 O LYS A 36 -7.237 -6.095 0.721 1.00 0.00 O ATOM 490 CB LYS A 36 -9.865 -8.042 0.043 1.00 0.00 C ATOM 491 CG LYS A 36 -11.131 -8.529 0.751 1.00 0.00 C ATOM 492 CD LYS A 36 -10.790 -9.200 2.083 1.00 0.00 C ATOM 493 CE LYS A 36 -11.767 -10.337 2.391 1.00 0.00 C ATOM 494 NZ LYS A 36 -12.923 -9.831 3.164 1.00 0.00 N ATOM 0 H LYS A 36 -8.582 -5.913 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.408 -6.247 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.987 -8.140 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.021 -8.670 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.802 -7.687 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.662 -9.233 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.773 -9.590 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.821 -8.462 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.113 -10.789 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.258 -11.119 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.576 -10.615 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.589 -9.421 4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.417 -9.101 2.612 1.00 0.00 H new ATOM 508 N VAL A 37 -8.472 -6.606 2.545 1.00 0.00 N ATOM 509 CA VAL A 37 -7.362 -6.470 3.472 1.00 0.00 C ATOM 510 C VAL A 37 -7.404 -7.617 4.483 1.00 0.00 C ATOM 511 O VAL A 37 -8.289 -7.667 5.336 1.00 0.00 O ATOM 512 CB VAL A 37 -7.398 -5.090 4.133 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.323 -4.972 5.216 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.250 -3.980 3.091 1.00 0.00 C ATOM 0 H VAL A 37 -9.360 -6.863 2.977 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.412 -6.538 2.942 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.370 -4.973 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.371 -3.982 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.492 -5.730 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.339 -5.120 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.279 -3.010 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.299 -4.094 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.067 -4.045 2.372 1.00 0.00 H new ATOM 524 N THR A 38 -6.435 -8.512 4.355 1.00 0.00 N ATOM 525 CA THR A 38 -6.350 -9.656 5.247 1.00 0.00 C ATOM 526 C THR A 38 -6.483 -9.208 6.704 1.00 0.00 C ATOM 527 O THR A 38 -5.723 -8.359 7.168 1.00 0.00 O ATOM 528 CB THR A 38 -5.039 -10.388 4.954 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.233 -10.941 3.654 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.837 -11.610 5.852 1.00 0.00 C ATOM 0 H THR A 38 -5.702 -8.468 3.647 1.00 0.00 H new ATOM 0 HA THR A 38 -7.172 -10.351 5.077 1.00 0.00 H new ATOM 0 HB THR A 38 -4.203 -9.701 5.083 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.217 -10.223 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.892 -12.093 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.820 -11.296 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.655 -12.314 5.699 1.00 0.00 H new ATOM 606 N ALA A 43 -0.748 -6.314 6.533 1.00 0.00 N ATOM 607 CA ALA A 43 -1.267 -5.032 6.088 1.00 0.00 C ATOM 608 C ALA A 43 -2.110 -4.412 7.204 1.00 0.00 C ATOM 609 O ALA A 43 -1.687 -3.453 7.847 1.00 0.00 O ATOM 610 CB ALA A 43 -2.062 -5.224 4.794 1.00 0.00 C ATOM 0 HA ALA A 43 -0.451 -4.343 5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.451 -4.262 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.410 -5.638 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.891 -5.908 4.974 1.00 0.00 H new ATOM 616 N GLU A 44 -3.288 -4.986 7.399 1.00 0.00 N ATOM 617 CA GLU A 44 -4.195 -4.502 8.427 1.00 0.00 C ATOM 618 C GLU A 44 -3.415 -4.128 9.689 1.00 0.00 C ATOM 619 O GLU A 44 -3.541 -3.013 10.193 1.00 0.00 O ATOM 620 CB GLU A 44 -5.276 -5.539 8.737 1.00 0.00 C ATOM 621 CG GLU A 44 -6.371 -4.941 9.622 1.00 0.00 C ATOM 622 CD GLU A 44 -7.433 -5.989 9.964 1.00 0.00 C ATOM 623 OE1 GLU A 44 -8.266 -6.264 9.074 1.00 0.00 O ATOM 624 OE2 GLU A 44 -7.387 -6.490 11.108 1.00 0.00 O ATOM 0 H GLU A 44 -3.636 -5.781 6.863 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.693 -3.608 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.713 -5.903 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.828 -6.398 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.930 -4.552 10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.837 -4.099 9.111 1.00 0.00 H new ATOM 631 N ALA A 45 -2.628 -5.082 10.164 1.00 0.00 N ATOM 632 CA ALA A 45 -1.829 -4.867 11.358 1.00 0.00 C ATOM 633 C ALA A 45 -1.186 -3.480 11.293 1.00 0.00 C ATOM 634 O ALA A 45 -1.249 -2.717 12.256 1.00 0.00 O ATOM 635 CB ALA A 45 -0.792 -5.984 11.487 1.00 0.00 C ATOM 0 H ALA A 45 -2.527 -6.006 9.743 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.455 -4.899 12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.193 -5.822 12.383 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.300 -6.946 11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.143 -5.981 10.611 1.00 0.00 H new ATOM 641 N ALA A 46 -0.583 -3.195 10.149 1.00 0.00 N ATOM 642 CA ALA A 46 0.071 -1.913 9.946 1.00 0.00 C ATOM 643 C ALA A 46 -0.974 -0.798 10.007 1.00 0.00 C ATOM 644 O ALA A 46 -1.255 -0.263 11.078 1.00 0.00 O ATOM 645 CB ALA A 46 0.828 -1.931 8.616 1.00 0.00 C ATOM 0 H ALA A 46 -0.533 -3.830 9.352 1.00 0.00 H new ATOM 0 HA ALA A 46 0.801 -1.725 10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.319 -0.970 8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.578 -2.722 8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.128 -2.114 7.801 1.00 0.00 H new ATOM 651 N ASP A 47 -1.522 -0.479 8.843 1.00 0.00 N ATOM 652 CA ASP A 47 -2.529 0.564 8.751 1.00 0.00 C ATOM 653 C ASP A 47 -3.065 0.624 7.319 1.00 0.00 C ATOM 654 O ASP A 47 -3.377 1.701 6.814 1.00 0.00 O ATOM 655 CB ASP A 47 -1.938 1.933 9.092 1.00 0.00 C ATOM 656 CG ASP A 47 -2.824 2.818 9.972 1.00 0.00 C ATOM 657 OD1 ASP A 47 -3.836 2.286 10.476 1.00 0.00 O ATOM 658 OD2 ASP A 47 -2.468 4.008 10.120 1.00 0.00 O ATOM 0 H ASP A 47 -1.287 -0.925 7.956 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.324 0.328 9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.983 1.785 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.729 2.463 8.163 1.00 0.00 H new ATOM 663 N LEU A 48 -3.157 -0.547 6.706 1.00 0.00 N ATOM 664 CA LEU A 48 -3.650 -0.641 5.342 1.00 0.00 C ATOM 665 C LEU A 48 -5.110 -1.099 5.363 1.00 0.00 C ATOM 666 O LEU A 48 -5.444 -2.092 6.007 1.00 0.00 O ATOM 667 CB LEU A 48 -2.737 -1.537 4.503 1.00 0.00 C ATOM 668 CG LEU A 48 -2.984 -1.521 2.993 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.908 -0.096 2.441 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.024 -2.468 2.270 1.00 0.00 C ATOM 0 H LEU A 48 -2.899 -1.439 7.129 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.628 0.337 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.704 -1.241 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.842 -2.562 4.857 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.995 -1.885 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.087 -0.112 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.663 0.523 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.919 0.318 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.221 -2.437 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.996 -2.158 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.170 -3.484 2.637 1.00 0.00 H new ATOM 682 N ARG A 49 -5.940 -0.353 4.649 1.00 0.00 N ATOM 683 CA ARG A 49 -7.357 -0.669 4.577 1.00 0.00 C ATOM 684 C ARG A 49 -7.829 -0.661 3.122 1.00 0.00 C ATOM 685 O ARG A 49 -7.151 -0.123 2.248 1.00 0.00 O ATOM 686 CB ARG A 49 -8.186 0.334 5.381 1.00 0.00 C ATOM 687 CG ARG A 49 -8.652 -0.275 6.705 1.00 0.00 C ATOM 688 CD ARG A 49 -9.338 0.775 7.581 1.00 0.00 C ATOM 689 NE ARG A 49 -8.418 1.218 8.653 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.819 1.771 9.806 1.00 0.00 C ATOM 691 NH1 ARG A 49 -10.126 1.953 10.043 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.914 2.143 10.721 1.00 0.00 N ATOM 0 H ARG A 49 -5.659 0.469 4.115 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.498 -1.663 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.593 1.227 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.051 0.647 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.341 -1.096 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.798 -0.695 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.639 1.628 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.246 0.359 8.018 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.416 1.095 8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.815 1.671 9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.431 2.374 10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.920 2.005 10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.219 2.564 11.599 1.00 0.00 H new ATOM 706 N PRO A 50 -9.019 -1.281 2.901 1.00 0.00 N ATOM 707 CA PRO A 50 -9.590 -1.350 1.567 1.00 0.00 C ATOM 708 C PRO A 50 -10.176 0.000 1.150 1.00 0.00 C ATOM 709 O PRO A 50 -10.975 0.587 1.880 1.00 0.00 O ATOM 710 CB PRO A 50 -10.634 -2.452 1.643 1.00 0.00 C ATOM 711 CG PRO A 50 -10.936 -2.640 3.121 1.00 0.00 C ATOM 712 CD PRO A 50 -9.850 -1.929 3.912 1.00 0.00 C ATOM 0 HA PRO A 50 -8.846 -1.575 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.534 -2.176 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.260 -3.375 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.916 -2.231 3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.961 -3.700 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.275 -1.200 4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.270 -2.633 4.510 1.00 0.00 H new ATOM 720 N GLY A 51 -9.757 0.455 -0.022 1.00 0.00 N ATOM 721 CA GLY A 51 -10.230 1.726 -0.544 1.00 0.00 C ATOM 722 C GLY A 51 -9.087 2.738 -0.641 1.00 0.00 C ATOM 723 O GLY A 51 -9.035 3.533 -1.579 1.00 0.00 O ATOM 0 H GLY A 51 -9.095 -0.034 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.673 1.577 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.015 2.119 0.102 1.00 0.00 H new ATOM 727 N ASP A 52 -8.199 2.677 0.340 1.00 0.00 N ATOM 728 CA ASP A 52 -7.061 3.578 0.377 1.00 0.00 C ATOM 729 C ASP A 52 -6.420 3.641 -1.011 1.00 0.00 C ATOM 730 O ASP A 52 -6.127 2.607 -1.610 1.00 0.00 O ATOM 731 CB ASP A 52 -6.001 3.087 1.365 1.00 0.00 C ATOM 732 CG ASP A 52 -6.370 3.248 2.842 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.340 4.406 3.311 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.673 2.209 3.467 1.00 0.00 O ATOM 0 H ASP A 52 -8.245 2.017 1.116 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.418 4.559 0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.803 2.033 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.073 3.627 1.177 1.00 0.00 H new ATOM 739 N ILE A 53 -6.221 4.863 -1.482 1.00 0.00 N ATOM 740 CA ILE A 53 -5.621 5.074 -2.788 1.00 0.00 C ATOM 741 C ILE A 53 -4.098 5.119 -2.643 1.00 0.00 C ATOM 742 O ILE A 53 -3.554 6.054 -2.058 1.00 0.00 O ATOM 743 CB ILE A 53 -6.212 6.317 -3.456 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.698 6.119 -3.764 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.414 6.701 -4.703 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.359 7.444 -4.148 1.00 0.00 C ATOM 0 H ILE A 53 -6.465 5.718 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.855 4.243 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.136 7.150 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.812 5.402 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.200 5.696 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.855 7.588 -5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.382 6.912 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.436 5.877 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.414 7.276 -4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.264 8.150 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.870 7.852 -5.033 1.00 0.00 H new ATOM 758 N ILE A 54 -3.453 4.097 -3.186 1.00 0.00 N ATOM 759 CA ILE A 54 -2.004 4.008 -3.125 1.00 0.00 C ATOM 760 C ILE A 54 -1.394 5.030 -4.086 1.00 0.00 C ATOM 761 O ILE A 54 -1.444 4.852 -5.302 1.00 0.00 O ATOM 762 CB ILE A 54 -1.544 2.572 -3.381 1.00 0.00 C ATOM 763 CG1 ILE A 54 -2.349 1.579 -2.539 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.038 2.429 -3.151 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.602 0.252 -2.394 1.00 0.00 C ATOM 0 H ILE A 54 -3.908 3.323 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.649 4.258 -2.125 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.734 2.335 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.539 2.003 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.319 1.405 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.263 1.398 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.498 3.093 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.199 2.693 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.195 -0.436 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.435 -0.181 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.643 0.426 -1.907 1.00 0.00 H new ATOM 777 N VAL A 55 -0.831 6.079 -3.504 1.00 0.00 N ATOM 778 CA VAL A 55 -0.212 7.130 -4.293 1.00 0.00 C ATOM 779 C VAL A 55 1.166 6.662 -4.766 1.00 0.00 C ATOM 780 O VAL A 55 1.439 6.634 -5.965 1.00 0.00 O ATOM 781 CB VAL A 55 -0.158 8.429 -3.486 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.139 9.648 -4.410 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.323 8.508 -2.497 1.00 0.00 C ATOM 0 H VAL A 55 -0.791 6.223 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.807 7.341 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 55 0.769 8.429 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.101 10.558 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.738 9.601 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.041 9.655 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.261 9.441 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.266 8.474 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.272 7.666 -1.807 1.00 0.00 H new ATOM 793 N ALA A 56 1.999 6.307 -3.798 1.00 0.00 N ATOM 794 CA ALA A 56 3.342 5.842 -4.100 1.00 0.00 C ATOM 795 C ALA A 56 3.552 4.463 -3.472 1.00 0.00 C ATOM 796 O ALA A 56 2.722 3.999 -2.692 1.00 0.00 O ATOM 797 CB ALA A 56 4.361 6.870 -3.604 1.00 0.00 C ATOM 0 H ALA A 56 1.770 6.332 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 56 3.480 5.739 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.369 6.522 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.187 7.824 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.254 6.997 -2.527 1.00 0.00 H new ATOM 803 N ILE A 57 4.666 3.846 -3.837 1.00 0.00 N ATOM 804 CA ILE A 57 4.996 2.528 -3.320 1.00 0.00 C ATOM 805 C ILE A 57 6.446 2.526 -2.831 1.00 0.00 C ATOM 806 O ILE A 57 7.376 2.471 -3.634 1.00 0.00 O ATOM 807 CB ILE A 57 4.698 1.452 -4.366 1.00 0.00 C ATOM 808 CG1 ILE A 57 3.190 1.265 -4.546 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.401 0.139 -4.017 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.892 0.279 -5.677 1.00 0.00 C ATOM 0 H ILE A 57 5.352 4.234 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 57 4.369 2.287 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 57 5.097 1.786 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.751 0.902 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.724 2.226 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.173 -0.609 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.478 0.302 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.054 -0.213 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.813 0.164 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.311 0.657 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.339 -0.688 -5.444 1.00 0.00 H new ATOM 822 N ASN A 58 6.592 2.585 -1.515 1.00 0.00 N ATOM 823 CA ASN A 58 7.913 2.590 -0.909 1.00 0.00 C ATOM 824 C ASN A 58 8.609 3.916 -1.223 1.00 0.00 C ATOM 825 O ASN A 58 9.833 4.012 -1.150 1.00 0.00 O ATOM 826 CB ASN A 58 8.779 1.459 -1.466 1.00 0.00 C ATOM 827 CG ASN A 58 9.090 0.423 -0.383 1.00 0.00 C ATOM 828 OD1 ASN A 58 8.866 0.634 0.797 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.619 -0.705 -0.850 1.00 0.00 N ATOM 0 H ASN A 58 5.818 2.630 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 58 7.791 2.455 0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.264 0.978 -2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.709 1.869 -1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.863 -1.458 -0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.781 -0.816 -1.851 1.00 0.00 H new ATOM 836 N GLY A 59 7.798 4.906 -1.567 1.00 0.00 N ATOM 837 CA GLY A 59 8.320 6.222 -1.893 1.00 0.00 C ATOM 838 C GLY A 59 8.336 6.447 -3.407 1.00 0.00 C ATOM 839 O GLY A 59 8.618 7.550 -3.871 1.00 0.00 O ATOM 0 H GLY A 59 6.783 4.823 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.710 6.988 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.330 6.325 -1.496 1.00 0.00 H new ATOM 843 N GLN A 60 8.030 5.382 -4.134 1.00 0.00 N ATOM 844 CA GLN A 60 8.005 5.449 -5.585 1.00 0.00 C ATOM 845 C GLN A 60 6.581 5.705 -6.081 1.00 0.00 C ATOM 846 O GLN A 60 5.685 4.893 -5.854 1.00 0.00 O ATOM 847 CB GLN A 60 8.580 4.172 -6.202 1.00 0.00 C ATOM 848 CG GLN A 60 8.164 4.037 -7.668 1.00 0.00 C ATOM 849 CD GLN A 60 9.243 3.318 -8.480 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.420 2.113 -8.397 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.953 4.120 -9.268 1.00 0.00 N ATOM 0 H GLN A 60 7.797 4.468 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 60 8.633 6.282 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.667 4.186 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.234 3.304 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.226 3.486 -7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.983 5.025 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.754 5.120 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.697 3.735 -9.850 1.00 0.00 H new ATOM 860 N SER A 61 6.415 6.837 -6.749 1.00 0.00 N ATOM 861 CA SER A 61 5.115 7.210 -7.278 1.00 0.00 C ATOM 862 C SER A 61 4.409 5.978 -7.849 1.00 0.00 C ATOM 863 O SER A 61 5.056 5.081 -8.386 1.00 0.00 O ATOM 864 CB SER A 61 5.247 8.291 -8.353 1.00 0.00 C ATOM 865 OG SER A 61 5.130 9.603 -7.809 1.00 0.00 O ATOM 0 H SER A 61 7.160 7.508 -6.936 1.00 0.00 H new ATOM 0 HA SER A 61 4.518 7.618 -6.462 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.211 8.190 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.478 8.143 -9.112 1.00 0.00 H new ATOM 0 HG SER A 61 5.222 10.264 -8.527 1.00 0.00 H new ATOM 871 N ALA A 62 3.091 5.975 -7.712 1.00 0.00 N ATOM 872 CA ALA A 62 2.290 4.868 -8.207 1.00 0.00 C ATOM 873 C ALA A 62 1.078 5.418 -8.960 1.00 0.00 C ATOM 874 O ALA A 62 0.138 4.680 -9.254 1.00 0.00 O ATOM 875 CB ALA A 62 1.891 3.964 -7.039 1.00 0.00 C ATOM 0 H ALA A 62 2.558 6.721 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 62 2.865 4.261 -8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.290 3.134 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.788 3.576 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.310 4.538 -6.317 1.00 0.00 H new ATOM 881 N GLU A 63 1.137 6.709 -9.249 1.00 0.00 N ATOM 882 CA GLU A 63 0.055 7.367 -9.962 1.00 0.00 C ATOM 883 C GLU A 63 -0.116 6.751 -11.352 1.00 0.00 C ATOM 884 O GLU A 63 -1.224 6.712 -11.886 1.00 0.00 O ATOM 885 CB GLU A 63 0.296 8.875 -10.056 1.00 0.00 C ATOM 886 CG GLU A 63 -0.840 9.655 -9.391 1.00 0.00 C ATOM 887 CD GLU A 63 -1.271 10.840 -10.257 1.00 0.00 C ATOM 888 OE1 GLU A 63 -0.649 11.913 -10.100 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.213 10.647 -11.056 1.00 0.00 O ATOM 0 H GLU A 63 1.917 7.318 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.868 7.215 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.243 9.126 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.380 9.169 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.690 8.994 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.517 10.013 -8.413 1.00 0.00 H new ATOM 896 N ASN A 64 0.997 6.286 -11.899 1.00 0.00 N ATOM 897 CA ASN A 64 0.985 5.674 -13.217 1.00 0.00 C ATOM 898 C ASN A 64 1.515 4.242 -13.115 1.00 0.00 C ATOM 899 O ASN A 64 2.401 3.850 -13.872 1.00 0.00 O ATOM 900 CB ASN A 64 1.882 6.442 -14.190 1.00 0.00 C ATOM 901 CG ASN A 64 1.152 7.658 -14.766 1.00 0.00 C ATOM 902 OD1 ASN A 64 -0.058 7.785 -14.682 1.00 0.00 O ATOM 903 ND2 ASN A 64 1.954 8.541 -15.353 1.00 0.00 N ATOM 0 H ASN A 64 1.914 6.321 -11.453 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.041 5.688 -13.585 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.787 6.766 -13.677 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.194 5.783 -15.000 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.564 9.387 -15.768 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.959 8.372 -15.388 1.00 0.00 H new ATOM 910 N MET A 65 0.949 3.502 -12.174 1.00 0.00 N ATOM 911 CA MET A 65 1.353 2.122 -11.963 1.00 0.00 C ATOM 912 C MET A 65 0.263 1.154 -12.427 1.00 0.00 C ATOM 913 O MET A 65 -0.845 1.159 -11.893 1.00 0.00 O ATOM 914 CB MET A 65 1.639 1.895 -10.477 1.00 0.00 C ATOM 915 CG MET A 65 3.137 2.007 -10.184 1.00 0.00 C ATOM 916 SD MET A 65 3.445 1.693 -8.454 1.00 0.00 S ATOM 917 CE MET A 65 5.179 2.111 -8.367 1.00 0.00 C ATOM 0 H MET A 65 0.214 3.832 -11.549 1.00 0.00 H new ATOM 0 HA MET A 65 2.253 1.933 -12.548 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.093 2.627 -9.882 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.279 0.910 -10.180 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.690 1.294 -10.796 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.495 3.001 -10.451 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.766 1.203 -8.231 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.481 2.604 -9.291 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.350 2.782 -7.525 1.00 0.00 H new ATOM 927 N LEU A 66 0.615 0.347 -13.417 1.00 0.00 N ATOM 928 CA LEU A 66 -0.320 -0.625 -13.959 1.00 0.00 C ATOM 929 C LEU A 66 -0.685 -1.637 -12.871 1.00 0.00 C ATOM 930 O LEU A 66 0.045 -1.793 -11.893 1.00 0.00 O ATOM 931 CB LEU A 66 0.248 -1.264 -15.228 1.00 0.00 C ATOM 932 CG LEU A 66 0.783 -0.296 -16.285 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.060 -0.839 -16.928 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.291 0.027 -17.326 1.00 0.00 C ATOM 0 H LEU A 66 1.535 0.346 -13.858 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.245 -0.136 -14.263 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.054 -1.939 -14.941 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.532 -1.874 -15.684 1.00 0.00 H new ATOM 0 HG LEU A 66 1.044 0.640 -15.791 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.420 -0.132 -17.676 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.823 -0.977 -16.162 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.849 -1.796 -17.405 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.115 0.717 -18.066 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.606 -0.892 -17.821 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.148 0.486 -16.834 1.00 0.00 H new ATOM 946 N HIS A 67 -1.814 -2.297 -13.077 1.00 0.00 N ATOM 947 CA HIS A 67 -2.285 -3.290 -12.126 1.00 0.00 C ATOM 948 C HIS A 67 -1.231 -4.387 -11.965 1.00 0.00 C ATOM 949 O HIS A 67 -1.200 -5.079 -10.948 1.00 0.00 O ATOM 950 CB HIS A 67 -3.652 -3.837 -12.543 1.00 0.00 C ATOM 951 CG HIS A 67 -4.295 -4.734 -11.513 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.301 -4.302 -10.666 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.066 -6.042 -11.202 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.654 -5.312 -9.885 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.887 -6.390 -10.218 1.00 0.00 N ATOM 0 H HIS A 67 -2.417 -2.164 -13.889 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.427 -2.825 -11.150 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.319 -3.000 -12.748 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.541 -4.392 -13.475 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.703 -3.365 -10.647 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.340 -6.686 -11.676 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.415 -5.287 -9.119 1.00 0.00 H new ATOM 963 N ALA A 68 -0.393 -4.512 -12.983 1.00 0.00 N ATOM 964 CA ALA A 68 0.660 -5.513 -12.968 1.00 0.00 C ATOM 965 C ALA A 68 1.941 -4.891 -12.407 1.00 0.00 C ATOM 966 O ALA A 68 2.812 -5.601 -11.907 1.00 0.00 O ATOM 967 CB ALA A 68 0.853 -6.074 -14.378 1.00 0.00 C ATOM 0 H ALA A 68 -0.422 -3.936 -13.824 1.00 0.00 H new ATOM 0 HA ALA A 68 0.387 -6.347 -12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.643 -6.825 -14.366 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.076 -6.531 -14.718 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.130 -5.267 -15.056 1.00 0.00 H new ATOM 973 N GLU A 69 2.014 -3.572 -12.510 1.00 0.00 N ATOM 974 CA GLU A 69 3.174 -2.847 -12.019 1.00 0.00 C ATOM 975 C GLU A 69 3.185 -2.835 -10.489 1.00 0.00 C ATOM 976 O GLU A 69 4.117 -3.343 -9.868 1.00 0.00 O ATOM 977 CB GLU A 69 3.207 -1.424 -12.579 1.00 0.00 C ATOM 978 CG GLU A 69 3.578 -1.427 -14.063 1.00 0.00 C ATOM 979 CD GLU A 69 5.009 -0.927 -14.272 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.926 -1.594 -13.746 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.154 0.111 -14.953 1.00 0.00 O ATOM 0 H GLU A 69 1.289 -2.987 -12.926 1.00 0.00 H new ATOM 0 HA GLU A 69 4.072 -3.360 -12.364 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.233 -0.954 -12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.928 -0.827 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.479 -2.436 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.884 -0.795 -14.616 1.00 0.00 H new ATOM 988 N ALA A 70 2.138 -2.250 -9.927 1.00 0.00 N ATOM 989 CA ALA A 70 2.015 -2.165 -8.481 1.00 0.00 C ATOM 990 C ALA A 70 1.981 -3.577 -7.893 1.00 0.00 C ATOM 991 O ALA A 70 2.550 -3.824 -6.831 1.00 0.00 O ATOM 992 CB ALA A 70 0.768 -1.354 -8.121 1.00 0.00 C ATOM 0 H ALA A 70 1.367 -1.830 -10.446 1.00 0.00 H new ATOM 0 HA ALA A 70 2.874 -1.649 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.676 -1.290 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.854 -0.350 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.115 -1.843 -8.532 1.00 0.00 H new ATOM 998 N GLN A 71 1.310 -4.467 -8.609 1.00 0.00 N ATOM 999 CA GLN A 71 1.195 -5.847 -8.171 1.00 0.00 C ATOM 1000 C GLN A 71 2.580 -6.490 -8.072 1.00 0.00 C ATOM 1001 O GLN A 71 2.872 -7.198 -7.109 1.00 0.00 O ATOM 1002 CB GLN A 71 0.287 -6.646 -9.108 1.00 0.00 C ATOM 1003 CG GLN A 71 -1.184 -6.481 -8.719 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.467 -7.126 -7.361 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -1.150 -6.591 -6.312 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.082 -8.303 -7.440 1.00 0.00 N ATOM 0 H GLN A 71 0.840 -4.259 -9.490 1.00 0.00 H new ATOM 0 HA GLN A 71 0.739 -5.856 -7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.435 -6.313 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.560 -7.701 -9.073 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.438 -5.422 -8.682 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.818 -6.935 -9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.319 -8.694 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.316 -8.814 -6.589 1.00 0.00 H new ATOM 1015 N SER A 72 3.397 -6.219 -9.079 1.00 0.00 N ATOM 1016 CA SER A 72 4.744 -6.761 -9.117 1.00 0.00 C ATOM 1017 C SER A 72 5.621 -6.057 -8.079 1.00 0.00 C ATOM 1018 O SER A 72 6.341 -6.710 -7.324 1.00 0.00 O ATOM 1019 CB SER A 72 5.356 -6.620 -10.512 1.00 0.00 C ATOM 1020 OG SER A 72 6.511 -7.439 -10.674 1.00 0.00 O ATOM 0 H SER A 72 3.152 -5.631 -9.875 1.00 0.00 H new ATOM 0 HA SER A 72 4.692 -7.823 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.613 -6.889 -11.263 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.623 -5.578 -10.687 1.00 0.00 H new ATOM 0 HG SER A 72 6.871 -7.322 -11.578 1.00 0.00 H new ATOM 1026 N LYS A 73 5.531 -4.735 -8.075 1.00 0.00 N ATOM 1027 CA LYS A 73 6.308 -3.936 -7.142 1.00 0.00 C ATOM 1028 C LYS A 73 5.984 -4.371 -5.711 1.00 0.00 C ATOM 1029 O LYS A 73 6.878 -4.750 -4.956 1.00 0.00 O ATOM 1030 CB LYS A 73 6.081 -2.445 -7.397 1.00 0.00 C ATOM 1031 CG LYS A 73 7.205 -1.858 -8.254 1.00 0.00 C ATOM 1032 CD LYS A 73 6.640 -1.145 -9.485 1.00 0.00 C ATOM 1033 CE LYS A 73 7.624 -0.097 -10.010 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.566 -0.709 -10.974 1.00 0.00 N ATOM 0 H LYS A 73 4.933 -4.197 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 73 7.374 -4.104 -7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.124 -2.300 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.028 -1.914 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.792 -1.157 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.881 -2.653 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.428 -1.874 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.694 -0.666 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.078 0.715 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.177 0.340 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.227 0.015 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.099 -1.468 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.034 -1.105 -11.775 1.00 0.00 H new ATOM 1048 N ILE A 74 4.702 -4.304 -5.382 1.00 0.00 N ATOM 1049 CA ILE A 74 4.249 -4.686 -4.055 1.00 0.00 C ATOM 1050 C ILE A 74 4.814 -6.064 -3.706 1.00 0.00 C ATOM 1051 O ILE A 74 5.311 -6.273 -2.600 1.00 0.00 O ATOM 1052 CB ILE A 74 2.724 -4.606 -3.966 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.263 -3.166 -3.727 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.185 -5.565 -2.902 1.00 0.00 C ATOM 1055 CD1 ILE A 74 0.907 -2.908 -4.386 1.00 0.00 C ATOM 0 H ILE A 74 3.963 -3.991 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 74 4.626 -3.988 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 74 2.309 -4.922 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.193 -2.976 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.003 -2.472 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.099 -5.488 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.467 -6.587 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.605 -5.304 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.603 -1.878 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.987 -3.075 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.164 -3.587 -3.967 1.00 0.00 H new ATOM 1067 N ARG A 75 4.719 -6.969 -4.669 1.00 0.00 N ATOM 1068 CA ARG A 75 5.214 -8.322 -4.477 1.00 0.00 C ATOM 1069 C ARG A 75 6.737 -8.313 -4.332 1.00 0.00 C ATOM 1070 O ARG A 75 7.282 -8.952 -3.433 1.00 0.00 O ATOM 1071 CB ARG A 75 4.825 -9.222 -5.651 1.00 0.00 C ATOM 1072 CG ARG A 75 5.008 -10.699 -5.294 1.00 0.00 C ATOM 1073 CD ARG A 75 6.082 -11.346 -6.170 1.00 0.00 C ATOM 1074 NE ARG A 75 6.118 -12.806 -5.931 1.00 0.00 N ATOM 1075 CZ ARG A 75 6.975 -13.644 -6.529 1.00 0.00 C ATOM 1076 NH1 ARG A 75 7.872 -13.172 -7.406 1.00 0.00 N ATOM 1077 NH2 ARG A 75 6.936 -14.955 -6.251 1.00 0.00 N ATOM 0 H ARG A 75 4.306 -6.792 -5.585 1.00 0.00 H new ATOM 0 HA ARG A 75 4.761 -8.716 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.787 -9.037 -5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.435 -8.976 -6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.286 -10.791 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.063 -11.227 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.874 -11.146 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.056 -10.909 -5.949 1.00 0.00 H new ATOM 0 HE ARG A 75 5.448 -13.199 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.902 -12.175 -7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.525 -13.810 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.253 -15.315 -5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.589 -15.593 -6.707 1.00 0.00 H new ATOM 1091 N GLN A 76 7.381 -7.583 -5.231 1.00 0.00 N ATOM 1092 CA GLN A 76 8.831 -7.483 -5.214 1.00 0.00 C ATOM 1093 C GLN A 76 9.268 -6.232 -4.450 1.00 0.00 C ATOM 1094 O GLN A 76 10.280 -5.618 -4.785 1.00 0.00 O ATOM 1095 CB GLN A 76 9.397 -7.483 -6.635 1.00 0.00 C ATOM 1096 CG GLN A 76 8.707 -8.541 -7.500 1.00 0.00 C ATOM 1097 CD GLN A 76 9.714 -9.576 -8.006 1.00 0.00 C ATOM 1098 OE1 GLN A 76 10.484 -10.151 -7.254 1.00 0.00 O ATOM 1099 NE2 GLN A 76 9.665 -9.781 -9.319 1.00 0.00 N ATOM 0 H GLN A 76 6.926 -7.055 -5.976 1.00 0.00 H new ATOM 0 HA GLN A 76 9.230 -8.357 -4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.264 -6.498 -7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.469 -7.677 -6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.929 -9.038 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.217 -8.061 -8.347 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.996 -9.266 -9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.297 -10.453 -9.754 1.00 0.00 H new ATOM 1108 N SER A 77 8.484 -5.892 -3.437 1.00 0.00 N ATOM 1109 CA SER A 77 8.778 -4.725 -2.623 1.00 0.00 C ATOM 1110 C SER A 77 9.555 -5.142 -1.372 1.00 0.00 C ATOM 1111 O SER A 77 9.127 -6.032 -0.639 1.00 0.00 O ATOM 1112 CB SER A 77 7.494 -3.990 -2.230 1.00 0.00 C ATOM 1113 OG SER A 77 7.490 -2.641 -2.687 1.00 0.00 O ATOM 0 H SER A 77 7.646 -6.404 -3.162 1.00 0.00 H new ATOM 0 HA SER A 77 9.390 -4.042 -3.212 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.634 -4.516 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.385 -4.006 -1.146 1.00 0.00 H new ATOM 0 HG SER A 77 6.596 -2.409 -3.014 1.00 0.00 H new ATOM 1119 N ALA A 78 10.683 -4.478 -1.167 1.00 0.00 N ATOM 1120 CA ALA A 78 11.524 -4.768 -0.018 1.00 0.00 C ATOM 1121 C ALA A 78 10.826 -4.282 1.254 1.00 0.00 C ATOM 1122 O ALA A 78 10.159 -3.249 1.244 1.00 0.00 O ATOM 1123 CB ALA A 78 12.897 -4.122 -0.214 1.00 0.00 C ATOM 0 H ALA A 78 11.034 -3.740 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 78 11.681 -5.842 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.528 -4.340 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.362 -4.523 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.780 -3.043 -0.315 1.00 0.00 H new ATOM 1129 N SER A 79 11.005 -5.050 2.319 1.00 0.00 N ATOM 1130 CA SER A 79 10.402 -4.711 3.596 1.00 0.00 C ATOM 1131 C SER A 79 11.342 -3.806 4.395 1.00 0.00 C ATOM 1132 O SER A 79 12.561 -3.901 4.265 1.00 0.00 O ATOM 1133 CB SER A 79 10.068 -5.969 4.399 1.00 0.00 C ATOM 1134 OG SER A 79 11.090 -6.290 5.339 1.00 0.00 O ATOM 0 H SER A 79 11.559 -5.906 2.323 1.00 0.00 H new ATOM 0 HA SER A 79 9.471 -4.178 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.125 -5.823 4.925 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.927 -6.807 3.717 1.00 0.00 H new ATOM 0 HG SER A 79 10.838 -7.098 5.833 1.00 0.00 H new ATOM 1140 N PRO A 80 10.723 -2.924 5.226 1.00 0.00 N ATOM 1141 CA PRO A 80 9.274 -2.876 5.320 1.00 0.00 C ATOM 1142 C PRO A 80 8.667 -2.197 4.091 1.00 0.00 C ATOM 1143 O PRO A 80 9.362 -1.494 3.359 1.00 0.00 O ATOM 1144 CB PRO A 80 8.989 -2.130 6.613 1.00 0.00 C ATOM 1145 CG PRO A 80 10.269 -1.385 6.956 1.00 0.00 C ATOM 1146 CD PRO A 80 11.384 -1.954 6.094 1.00 0.00 C ATOM 0 HA PRO A 80 8.820 -3.867 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.156 -1.438 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.714 -2.821 7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.151 -0.317 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.507 -1.501 8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.874 -1.172 5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.153 -2.428 6.704 1.00 0.00 H new ATOM 1154 N LEU A 81 7.376 -2.431 3.903 1.00 0.00 N ATOM 1155 CA LEU A 81 6.668 -1.851 2.775 1.00 0.00 C ATOM 1156 C LEU A 81 5.999 -0.547 3.215 1.00 0.00 C ATOM 1157 O LEU A 81 5.205 -0.538 4.154 1.00 0.00 O ATOM 1158 CB LEU A 81 5.696 -2.867 2.172 1.00 0.00 C ATOM 1159 CG LEU A 81 5.031 -2.460 0.855 1.00 0.00 C ATOM 1160 CD1 LEU A 81 6.071 -1.986 -0.161 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.167 -3.596 0.304 1.00 0.00 C ATOM 0 H LEU A 81 6.803 -3.014 4.513 1.00 0.00 H new ATOM 0 HA LEU A 81 7.366 -1.599 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.233 -3.802 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.914 -3.070 2.903 1.00 0.00 H new ATOM 0 HG LEU A 81 4.368 -1.618 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.572 -1.703 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.606 -1.125 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.778 -2.791 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.706 -3.281 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.790 -4.473 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.389 -3.845 1.026 1.00 0.00 H new ATOM 1173 N ARG A 82 6.344 0.524 2.515 1.00 0.00 N ATOM 1174 CA ARG A 82 5.787 1.830 2.821 1.00 0.00 C ATOM 1175 C ARG A 82 4.978 2.355 1.633 1.00 0.00 C ATOM 1176 O ARG A 82 5.540 2.921 0.696 1.00 0.00 O ATOM 1177 CB ARG A 82 6.890 2.834 3.161 1.00 0.00 C ATOM 1178 CG ARG A 82 6.620 3.511 4.506 1.00 0.00 C ATOM 1179 CD ARG A 82 7.603 4.658 4.749 1.00 0.00 C ATOM 1180 NE ARG A 82 8.795 4.159 5.472 1.00 0.00 N ATOM 1181 CZ ARG A 82 9.988 4.769 5.464 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.157 5.903 4.771 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.013 4.244 6.149 1.00 0.00 N ATOM 0 H ARG A 82 7.003 0.513 1.736 1.00 0.00 H new ATOM 0 HA ARG A 82 5.135 1.717 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.853 2.324 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.954 3.588 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.599 3.892 4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.704 2.779 5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.902 5.099 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.120 5.446 5.327 1.00 0.00 H new ATOM 0 HE ARG A 82 8.702 3.297 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.377 6.303 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.065 6.367 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.885 3.380 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.921 4.708 6.143 1.00 0.00 H new ATOM 1197 N LEU A 83 3.672 2.147 1.709 1.00 0.00 N ATOM 1198 CA LEU A 83 2.780 2.592 0.651 1.00 0.00 C ATOM 1199 C LEU A 83 2.131 3.916 1.060 1.00 0.00 C ATOM 1200 O LEU A 83 1.508 4.005 2.117 1.00 0.00 O ATOM 1201 CB LEU A 83 1.773 1.495 0.303 1.00 0.00 C ATOM 1202 CG LEU A 83 2.352 0.094 0.094 1.00 0.00 C ATOM 1203 CD1 LEU A 83 3.815 0.166 -0.349 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.174 -0.766 1.347 1.00 0.00 C ATOM 0 H LEU A 83 3.210 1.676 2.487 1.00 0.00 H new ATOM 0 HA LEU A 83 3.340 2.781 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.031 1.445 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.246 1.788 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 83 1.796 -0.389 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.202 -0.843 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.884 0.716 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.402 0.676 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.594 -1.756 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.688 -0.297 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.113 -0.858 1.578 1.00 0.00 H new ATOM 1216 N GLN A 84 2.299 4.911 0.202 1.00 0.00 N ATOM 1217 CA GLN A 84 1.737 6.226 0.461 1.00 0.00 C ATOM 1218 C GLN A 84 0.289 6.289 -0.027 1.00 0.00 C ATOM 1219 O GLN A 84 0.037 6.365 -1.228 1.00 0.00 O ATOM 1220 CB GLN A 84 2.583 7.321 -0.191 1.00 0.00 C ATOM 1221 CG GLN A 84 2.073 8.711 0.196 1.00 0.00 C ATOM 1222 CD GLN A 84 2.513 9.761 -0.827 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.649 9.797 -1.268 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.551 10.610 -1.177 1.00 0.00 N ATOM 0 H GLN A 84 2.816 4.833 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 84 1.745 6.398 1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.623 7.213 0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.557 7.209 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.985 8.697 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.450 8.979 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.620 10.523 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.744 11.348 -1.854 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.626 6.255 0.931 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.044 6.308 0.615 1.00 0.00 C ATOM 1235 C LEU A 85 -2.495 7.769 0.556 1.00 0.00 C ATOM 1236 O LEU A 85 -1.981 8.611 1.291 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.845 5.456 1.601 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.148 4.197 2.120 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.938 3.567 3.269 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.897 3.202 0.985 1.00 0.00 C ATOM 0 H LEU A 85 -0.413 6.191 1.927 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.231 5.877 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.111 6.078 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.777 5.159 1.120 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.175 4.485 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.421 2.674 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.023 4.282 4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.934 3.296 2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.401 2.316 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.848 2.915 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.264 3.665 0.228 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.450 8.024 -0.326 1.00 0.00 N ATOM 1253 CA ASP A 86 -3.976 9.369 -0.491 1.00 0.00 C ATOM 1254 C ASP A 86 -5.329 9.472 0.215 1.00 0.00 C ATOM 1255 O ASP A 86 -6.347 9.034 -0.319 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.187 9.701 -1.969 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.623 11.051 -2.416 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.686 11.526 -1.739 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.142 11.577 -3.424 1.00 0.00 O ATOM 0 H ASP A 86 -3.873 7.323 -0.934 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.256 10.067 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.729 8.916 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.256 9.683 -2.181 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.298 10.055 1.405 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.510 10.221 2.189 1.00 0.00 C ATOM 1266 C ARG A 87 -6.789 11.707 2.425 1.00 0.00 C ATOM 1267 O ARG A 87 -6.109 12.351 3.222 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.394 9.510 3.539 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.736 8.905 3.956 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.601 8.121 5.263 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.930 8.992 6.413 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.259 8.538 7.630 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.305 7.220 7.863 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.542 9.403 8.614 1.00 0.00 N ATOM 0 H ARG A 87 -4.452 10.418 1.845 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.332 9.778 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.640 8.725 3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.057 10.216 4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.474 9.698 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.102 8.246 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.266 7.257 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.585 7.740 5.364 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.905 10.002 6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.090 6.562 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.555 6.874 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.507 10.407 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.792 9.057 9.540 1.00 0.00 H new ATOM 1288 N SER A 88 -7.791 12.207 1.717 1.00 0.00 N ATOM 1289 CA SER A 88 -8.169 13.605 1.840 1.00 0.00 C ATOM 1290 C SER A 88 -9.522 13.721 2.544 1.00 0.00 C ATOM 1291 O SER A 88 -10.525 14.059 1.916 1.00 0.00 O ATOM 1292 CB SER A 88 -8.223 14.283 0.470 1.00 0.00 C ATOM 1293 OG SER A 88 -8.132 15.702 0.572 1.00 0.00 O ATOM 0 H SER A 88 -8.353 11.670 1.057 1.00 0.00 H new ATOM 0 HA SER A 88 -7.412 14.113 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.408 13.911 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.153 14.015 -0.031 1.00 0.00 H new ATOM 0 HG SER A 88 -8.169 16.097 -0.324 1.00 0.00 H new