USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 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 -77:sc= -1.38! USER MOD Set 1.2: A 120 HIS : no HE2:sc= 0.668 K(o=-0.71,f=-8.9!) USER MOD Set 2.1: A 67 MET CE :methyl -170:sc= -0.602 (180deg=-0.742) USER MOD Set 2.2: A 90 SER OG : rot 160:sc= 0 USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 171:sc= 1.56 (180deg=1.16) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 165:sc= -0.858 (180deg=-1.7) USER MOD Single : A 58 GLN : amide:sc= 1.43 K(o=1.4,f=-6.6!) USER MOD Single : A 65 MET CE :methyl -162:sc= -0.382 (180deg=-0.965) USER MOD Single : A 70 SER OG : rot -76:sc= 0.501 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) 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 71:sc= 0.893 USER MOD Single : A 95 TYR OH : rot 75:sc= 0.0391 USER MOD Single : A 107 GLN : amide:sc= -2.42 K(o=-2.4,f=-10!) USER MOD Single : A 112 GLN : amide:sc= 1.34 K(o=1.3,f=-3.6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.298 F(o=-0.95,f=-0.3) USER MOD Single : A 124 LYS NZ :NH3+ -130:sc= -0.182 (180deg=-1.21) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.833 -11.247 0.916 1.00 0.00 N ATOM 101 CA LEU A 36 2.469 -11.281 0.419 1.00 0.00 C ATOM 102 C LEU A 36 2.129 -9.944 -0.247 1.00 0.00 C ATOM 103 O LEU A 36 2.939 -9.020 -0.346 1.00 0.00 O ATOM 104 CB LEU A 36 1.498 -11.652 1.556 1.00 0.00 C ATOM 105 CG LEU A 36 1.605 -10.769 2.813 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.127 -9.330 2.598 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.854 -11.431 3.967 1.00 0.00 C ATOM 0 HA LEU A 36 2.366 -12.054 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.478 -11.596 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.675 -12.689 1.842 1.00 0.00 H new ATOM 0 HG LEU A 36 2.664 -10.688 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.232 -8.769 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.728 -8.860 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.080 -9.336 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.930 -10.806 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.195 -11.552 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.291 -12.408 4.172 1.00 0.00 H new ATOM 119 N PHE A 37 0.896 -9.845 -0.716 1.00 0.00 N ATOM 120 CA PHE A 37 0.335 -8.667 -1.358 1.00 0.00 C ATOM 121 C PHE A 37 -1.186 -8.805 -1.303 1.00 0.00 C ATOM 122 O PHE A 37 -1.673 -9.936 -1.415 1.00 0.00 O ATOM 123 CB PHE A 37 0.787 -8.645 -2.822 1.00 0.00 C ATOM 124 CG PHE A 37 0.555 -7.322 -3.510 1.00 0.00 C ATOM 125 CD1 PHE A 37 1.517 -6.304 -3.388 1.00 0.00 C ATOM 126 CD2 PHE A 37 -0.628 -7.089 -4.236 1.00 0.00 C ATOM 127 CE1 PHE A 37 1.313 -5.069 -4.017 1.00 0.00 C ATOM 128 CE2 PHE A 37 -0.821 -5.865 -4.889 1.00 0.00 C ATOM 129 CZ PHE A 37 0.166 -4.873 -4.804 1.00 0.00 C ATOM 0 H PHE A 37 0.230 -10.616 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 37 0.660 -7.751 -0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.849 -8.887 -2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.258 -9.426 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.413 -6.474 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.388 -7.855 -4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.033 -4.273 -3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.724 -5.687 -5.454 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.043 -3.949 -5.349 1.00 0.00 H new ATOM 139 N TYR A 38 -1.929 -7.712 -1.171 1.00 0.00 N ATOM 140 CA TYR A 38 -3.388 -7.697 -1.268 1.00 0.00 C ATOM 141 C TYR A 38 -3.870 -6.463 -2.043 1.00 0.00 C ATOM 142 O TYR A 38 -3.050 -5.666 -2.504 1.00 0.00 O ATOM 143 CB TYR A 38 -4.014 -7.705 0.128 1.00 0.00 C ATOM 144 CG TYR A 38 -3.716 -8.846 1.076 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.527 -8.851 1.822 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.686 -9.834 1.310 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.302 -9.831 2.799 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.464 -10.841 2.254 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.280 -10.828 3.025 1.00 0.00 C ATOM 150 OH TYR A 38 -3.053 -11.833 3.911 1.00 0.00 O ATOM 0 H TYR A 38 -1.528 -6.792 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.700 -8.592 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.714 -6.782 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.096 -7.662 0.000 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.779 -8.093 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.613 -9.816 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.388 -9.825 3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.194 -11.625 2.393 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.833 -12.426 3.940 1.00 0.00 H new ATOM 160 N THR A 39 -5.184 -6.255 -2.164 1.00 0.00 N ATOM 161 CA THR A 39 -5.757 -5.155 -2.932 1.00 0.00 C ATOM 162 C THR A 39 -6.940 -4.474 -2.230 1.00 0.00 C ATOM 163 O THR A 39 -7.401 -4.973 -1.204 1.00 0.00 O ATOM 164 CB THR A 39 -6.196 -5.697 -4.304 1.00 0.00 C ATOM 165 OG1 THR A 39 -7.260 -6.591 -4.084 1.00 0.00 O ATOM 166 CG2 THR A 39 -5.091 -6.403 -5.092 1.00 0.00 C ATOM 0 H THR A 39 -5.884 -6.854 -1.726 1.00 0.00 H new ATOM 0 HA THR A 39 -4.990 -4.388 -3.039 1.00 0.00 H new ATOM 0 HB THR A 39 -6.485 -4.842 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.565 -6.954 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.490 -6.752 -6.045 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.272 -5.707 -5.274 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.723 -7.254 -4.519 1.00 0.00 H new ATOM 174 N PRO A 40 -7.468 -3.350 -2.759 1.00 0.00 N ATOM 175 CA PRO A 40 -8.705 -2.760 -2.277 1.00 0.00 C ATOM 176 C PRO A 40 -9.965 -3.617 -2.425 1.00 0.00 C ATOM 177 O PRO A 40 -10.950 -3.269 -1.781 1.00 0.00 O ATOM 178 CB PRO A 40 -8.899 -1.417 -2.969 1.00 0.00 C ATOM 179 CG PRO A 40 -7.709 -1.250 -3.898 1.00 0.00 C ATOM 180 CD PRO A 40 -6.781 -2.430 -3.647 1.00 0.00 C ATOM 0 HA PRO A 40 -8.584 -2.657 -1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.835 -1.397 -3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.943 -0.606 -2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.032 -1.228 -4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.197 -0.308 -3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.526 -2.923 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.846 -2.093 -3.200 1.00 0.00 H new ATOM 188 N GLY A 41 -9.949 -4.748 -3.139 1.00 0.00 N ATOM 189 CA GLY A 41 -11.029 -5.726 -3.038 1.00 0.00 C ATOM 190 C GLY A 41 -10.694 -6.878 -2.087 1.00 0.00 C ATOM 191 O GLY A 41 -11.559 -7.301 -1.320 1.00 0.00 O ATOM 0 H GLY A 41 -9.205 -5.004 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.935 -5.227 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.244 -6.128 -4.028 1.00 0.00 H new ATOM 195 N GLU A 42 -9.463 -7.400 -2.099 1.00 0.00 N ATOM 196 CA GLU A 42 -9.235 -8.753 -1.586 1.00 0.00 C ATOM 197 C GLU A 42 -9.137 -8.786 -0.049 1.00 0.00 C ATOM 198 O GLU A 42 -9.277 -9.848 0.556 1.00 0.00 O ATOM 199 CB GLU A 42 -8.071 -9.433 -2.350 1.00 0.00 C ATOM 200 CG GLU A 42 -6.736 -9.535 -1.629 1.00 0.00 C ATOM 201 CD GLU A 42 -5.581 -10.127 -2.458 1.00 0.00 C ATOM 202 OE1 GLU A 42 -5.443 -9.898 -3.677 1.00 0.00 O ATOM 203 OE2 GLU A 42 -4.697 -10.773 -1.854 1.00 0.00 O ATOM 0 H GLU A 42 -8.632 -6.922 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.111 -9.369 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.387 -10.440 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.912 -8.887 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.447 -8.539 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.870 -10.146 -0.736 1.00 0.00 H new ATOM 210 N ILE A 43 -8.947 -7.634 0.601 1.00 0.00 N ATOM 211 CA ILE A 43 -8.964 -7.449 2.052 1.00 0.00 C ATOM 212 C ILE A 43 -10.408 -7.306 2.571 1.00 0.00 C ATOM 213 O ILE A 43 -10.636 -7.598 3.748 1.00 0.00 O ATOM 214 CB ILE A 43 -8.077 -6.231 2.442 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.648 -6.400 1.864 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.104 -5.985 3.972 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.651 -5.373 2.382 1.00 0.00 C ATOM 0 H ILE A 43 -8.768 -6.762 0.103 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.544 -8.334 2.530 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.489 -5.327 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.285 -7.399 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.695 -6.331 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.475 -5.128 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.127 -5.786 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.728 -6.868 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.675 -5.555 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.990 -4.371 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.573 -5.456 3.466 1.00 0.00 H new ATOM 229 N LEU A 44 -11.381 -6.904 1.738 1.00 0.00 N ATOM 230 CA LEU A 44 -12.792 -6.825 2.141 1.00 0.00 C ATOM 231 C LEU A 44 -13.489 -8.140 1.834 1.00 0.00 C ATOM 232 O LEU A 44 -14.076 -8.750 2.728 1.00 0.00 O ATOM 233 CB LEU A 44 -13.610 -5.660 1.539 1.00 0.00 C ATOM 234 CG LEU A 44 -12.855 -4.558 0.798 1.00 0.00 C ATOM 235 CD1 LEU A 44 -13.817 -3.616 0.096 1.00 0.00 C ATOM 236 CD2 LEU A 44 -12.006 -3.702 1.729 1.00 0.00 C ATOM 0 H LEU A 44 -11.212 -6.626 0.771 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.758 -6.621 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.339 -6.086 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.171 -5.193 2.349 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.214 -5.076 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.253 -2.841 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.414 -4.176 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.476 -3.154 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.492 -2.935 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.647 -3.227 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.271 -4.331 2.232 1.00 0.00 H new ATOM 248 N TYR A 45 -13.429 -8.532 0.560 1.00 0.00 N ATOM 249 CA TYR A 45 -14.148 -9.646 -0.032 1.00 0.00 C ATOM 250 C TYR A 45 -13.472 -10.944 0.414 1.00 0.00 C ATOM 251 O TYR A 45 -14.038 -11.735 1.170 1.00 0.00 O ATOM 252 CB TYR A 45 -14.168 -9.487 -1.572 1.00 0.00 C ATOM 253 CG TYR A 45 -15.052 -8.372 -2.137 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.797 -7.009 -1.865 1.00 0.00 C ATOM 255 CD2 TYR A 45 -16.126 -8.696 -2.992 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.632 -6.009 -2.394 1.00 0.00 C ATOM 257 CE2 TYR A 45 -16.963 -7.700 -3.526 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.721 -6.347 -3.220 1.00 0.00 C ATOM 259 OH TYR A 45 -17.517 -5.354 -3.696 1.00 0.00 O ATOM 0 H TYR A 45 -12.842 -8.048 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.186 -9.670 0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.146 -9.315 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.493 -10.432 -2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.955 -6.734 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.309 -9.731 -3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.436 -4.972 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -17.788 -7.972 -4.168 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.225 -5.741 -4.252 1.00 0.00 H new ATOM 269 N GLY A 46 -12.224 -11.146 -0.004 1.00 0.00 N ATOM 270 CA GLY A 46 -11.470 -12.370 0.171 1.00 0.00 C ATOM 271 C GLY A 46 -10.321 -12.404 -0.824 1.00 0.00 C ATOM 272 O GLY A 46 -10.413 -11.799 -1.897 1.00 0.00 O ATOM 0 H GLY A 46 -11.694 -10.425 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.085 -12.430 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.119 -13.234 0.024 1.00 0.00 H new ATOM 276 N LYS A 47 -9.227 -13.095 -0.474 1.00 0.00 N ATOM 277 CA LYS A 47 -8.090 -13.261 -1.372 1.00 0.00 C ATOM 278 C LYS A 47 -8.556 -13.841 -2.701 1.00 0.00 C ATOM 279 O LYS A 47 -9.448 -14.679 -2.719 1.00 0.00 O ATOM 280 CB LYS A 47 -7.069 -14.218 -0.757 1.00 0.00 C ATOM 281 CG LYS A 47 -5.618 -13.840 -1.101 1.00 0.00 C ATOM 282 CD LYS A 47 -4.827 -13.594 0.179 1.00 0.00 C ATOM 283 CE LYS A 47 -3.427 -13.076 -0.127 1.00 0.00 C ATOM 284 NZ LYS A 47 -2.517 -13.147 1.028 1.00 0.00 N ATOM 0 H LYS A 47 -9.112 -13.548 0.432 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.633 -12.284 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.191 -14.226 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.269 -15.230 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.152 -14.639 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.604 -12.946 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.356 -12.873 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.758 -14.520 0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.005 -13.653 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.495 -12.042 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.548 -12.927 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.816 -12.460 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.543 -14.105 1.432 1.00 0.00 H new ATOM 385 N MET A 53 -7.529 -14.489 4.778 1.00 0.00 N ATOM 386 CA MET A 53 -7.664 -13.062 5.061 1.00 0.00 C ATOM 387 C MET A 53 -6.446 -12.577 5.853 1.00 0.00 C ATOM 388 O MET A 53 -5.800 -13.391 6.518 1.00 0.00 O ATOM 389 CB MET A 53 -8.967 -12.850 5.845 1.00 0.00 C ATOM 390 CG MET A 53 -10.108 -12.507 4.882 1.00 0.00 C ATOM 391 SD MET A 53 -10.516 -10.750 4.902 1.00 0.00 S ATOM 392 CE MET A 53 -11.255 -10.656 3.266 1.00 0.00 C ATOM 0 HA MET A 53 -7.707 -12.484 4.138 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.213 -13.751 6.408 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.838 -12.046 6.570 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.828 -12.801 3.871 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.992 -13.086 5.149 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.814 -9.725 3.172 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.470 -10.686 2.510 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.929 -11.500 3.122 1.00 0.00 H new ATOM 402 N PRO A 54 -6.107 -11.275 5.817 1.00 0.00 N ATOM 403 CA PRO A 54 -5.057 -10.730 6.663 1.00 0.00 C ATOM 404 C PRO A 54 -5.524 -10.585 8.116 1.00 0.00 C ATOM 405 O PRO A 54 -6.717 -10.460 8.411 1.00 0.00 O ATOM 406 CB PRO A 54 -4.722 -9.359 6.069 1.00 0.00 C ATOM 407 CG PRO A 54 -6.047 -8.919 5.448 1.00 0.00 C ATOM 408 CD PRO A 54 -6.674 -10.231 4.975 1.00 0.00 C ATOM 0 HA PRO A 54 -4.190 -11.390 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.383 -8.660 6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.929 -9.425 5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.681 -8.410 6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.892 -8.227 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.759 -10.201 5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.450 -10.413 3.924 1.00 0.00 H new ATOM 416 N GLU A 55 -4.544 -10.516 9.005 1.00 0.00 N ATOM 417 CA GLU A 55 -4.651 -10.129 10.396 1.00 0.00 C ATOM 418 C GLU A 55 -4.719 -8.607 10.484 1.00 0.00 C ATOM 419 O GLU A 55 -4.209 -7.894 9.623 1.00 0.00 O ATOM 420 CB GLU A 55 -3.395 -10.643 11.126 1.00 0.00 C ATOM 421 CG GLU A 55 -3.725 -11.896 11.939 1.00 0.00 C ATOM 422 CD GLU A 55 -2.459 -12.618 12.367 1.00 0.00 C ATOM 423 OE1 GLU A 55 -1.923 -13.359 11.510 1.00 0.00 O ATOM 424 OE2 GLU A 55 -1.997 -12.464 13.516 1.00 0.00 O ATOM 0 H GLU A 55 -3.584 -10.747 8.749 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.547 -10.550 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.612 -10.868 10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.006 -9.866 11.785 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.305 -11.620 12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.346 -12.566 11.345 1.00 0.00 H new ATOM 431 N VAL A 56 -5.309 -8.108 11.564 1.00 0.00 N ATOM 432 CA VAL A 56 -5.495 -6.684 11.830 1.00 0.00 C ATOM 433 C VAL A 56 -4.269 -6.095 12.533 1.00 0.00 C ATOM 434 O VAL A 56 -4.147 -4.880 12.646 1.00 0.00 O ATOM 435 CB VAL A 56 -6.833 -6.536 12.595 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.221 -5.089 12.881 1.00 0.00 C ATOM 437 CG2 VAL A 56 -7.991 -7.142 11.777 1.00 0.00 C ATOM 0 H VAL A 56 -5.684 -8.702 12.304 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.571 -6.097 10.915 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.674 -7.055 13.540 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.169 -5.066 13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.448 -4.618 13.488 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.324 -4.547 11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.924 -7.030 12.329 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.071 -6.625 10.821 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.798 -8.200 11.602 1.00 0.00 H new ATOM 447 N GLY A 57 -3.328 -6.939 12.948 1.00 0.00 N ATOM 448 CA GLY A 57 -2.089 -6.575 13.613 1.00 0.00 C ATOM 449 C GLY A 57 -0.918 -7.237 12.909 1.00 0.00 C ATOM 450 O GLY A 57 0.008 -7.705 13.574 1.00 0.00 O ATOM 0 H GLY A 57 -3.418 -7.947 12.821 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.965 -5.492 13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.121 -6.885 14.657 1.00 0.00 H new ATOM 454 N GLN A 58 -0.971 -7.316 11.574 1.00 0.00 N ATOM 455 CA GLN A 58 0.172 -7.760 10.781 1.00 0.00 C ATOM 456 C GLN A 58 0.554 -6.674 9.789 1.00 0.00 C ATOM 457 O GLN A 58 -0.238 -5.785 9.465 1.00 0.00 O ATOM 458 CB GLN A 58 -0.097 -9.090 10.053 1.00 0.00 C ATOM 459 CG GLN A 58 -1.209 -8.943 9.012 1.00 0.00 C ATOM 460 CD GLN A 58 -1.218 -9.991 7.929 1.00 0.00 C ATOM 461 OE1 GLN A 58 -2.021 -10.910 7.871 1.00 0.00 O ATOM 462 NE2 GLN A 58 -0.363 -9.799 6.968 1.00 0.00 N ATOM 0 H GLN A 58 -1.796 -7.077 11.024 1.00 0.00 H new ATOM 0 HA GLN A 58 1.001 -7.942 11.465 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.817 -9.431 9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.375 -9.854 10.779 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.170 -8.966 9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.120 -7.962 8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.304 -9.029 7.025 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.359 -10.418 6.157 1.00 0.00 H new ATOM 471 N ARG A 59 1.752 -6.821 9.239 1.00 0.00 N ATOM 472 CA ARG A 59 2.262 -6.000 8.150 1.00 0.00 C ATOM 473 C ARG A 59 1.808 -6.587 6.823 1.00 0.00 C ATOM 474 O ARG A 59 1.608 -7.802 6.722 1.00 0.00 O ATOM 475 CB ARG A 59 3.793 -5.906 8.242 1.00 0.00 C ATOM 476 CG ARG A 59 4.550 -7.123 7.672 1.00 0.00 C ATOM 477 CD ARG A 59 6.059 -6.934 7.845 1.00 0.00 C ATOM 478 NE ARG A 59 6.736 -6.547 6.599 1.00 0.00 N ATOM 479 CZ ARG A 59 7.859 -5.826 6.514 1.00 0.00 C ATOM 480 NH1 ARG A 59 8.545 -5.497 7.604 1.00 0.00 N ATOM 481 NH2 ARG A 59 8.269 -5.425 5.317 1.00 0.00 N ATOM 0 H ARG A 59 2.413 -7.534 9.547 1.00 0.00 H new ATOM 0 HA ARG A 59 1.866 -4.987 8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.121 -5.011 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.073 -5.778 9.288 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.229 -8.032 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.310 -7.248 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.240 -6.171 8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.496 -7.861 8.216 1.00 0.00 H new ATOM 0 HE ARG A 59 6.313 -6.855 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.217 -5.795 8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.400 -4.947 7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.730 -5.668 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.123 -4.874 5.229 1.00 0.00 H new ATOM 495 N LEU A 60 1.618 -5.754 5.805 1.00 0.00 N ATOM 496 CA LEU A 60 1.152 -6.175 4.485 1.00 0.00 C ATOM 497 C LEU A 60 1.400 -5.097 3.424 1.00 0.00 C ATOM 498 O LEU A 60 1.564 -3.924 3.762 1.00 0.00 O ATOM 499 CB LEU A 60 -0.351 -6.504 4.566 1.00 0.00 C ATOM 500 CG LEU A 60 -1.127 -5.384 5.292 1.00 0.00 C ATOM 501 CD1 LEU A 60 -2.306 -4.811 4.549 1.00 0.00 C ATOM 502 CD2 LEU A 60 -1.590 -5.850 6.651 1.00 0.00 C ATOM 0 H LEU A 60 1.786 -4.750 5.873 1.00 0.00 H new ATOM 0 HA LEU A 60 1.715 -7.059 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.752 -6.636 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.492 -7.448 5.092 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.401 -4.575 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.774 -4.034 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.968 -4.383 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.030 -5.601 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.135 -5.046 7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.244 -6.714 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.726 -6.127 7.254 1.00 0.00 H new ATOM 514 N ARG A 61 1.325 -5.477 2.142 1.00 0.00 N ATOM 515 CA ARG A 61 1.602 -4.668 0.946 1.00 0.00 C ATOM 516 C ARG A 61 0.374 -4.622 0.022 1.00 0.00 C ATOM 517 O ARG A 61 0.078 -5.593 -0.666 1.00 0.00 O ATOM 518 CB ARG A 61 2.848 -5.246 0.229 1.00 0.00 C ATOM 519 CG ARG A 61 3.353 -4.293 -0.855 1.00 0.00 C ATOM 520 CD ARG A 61 4.685 -4.626 -1.555 1.00 0.00 C ATOM 521 NE ARG A 61 5.764 -5.133 -0.685 1.00 0.00 N ATOM 522 CZ ARG A 61 7.071 -5.171 -0.992 1.00 0.00 C ATOM 523 NH1 ARG A 61 7.509 -4.781 -2.181 1.00 0.00 N ATOM 524 NH2 ARG A 61 7.948 -5.593 -0.092 1.00 0.00 N ATOM 0 H ARG A 61 1.049 -6.427 1.895 1.00 0.00 H new ATOM 0 HA ARG A 61 1.813 -3.638 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.639 -5.425 0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.600 -6.209 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.582 -4.223 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.450 -3.303 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.490 -5.368 -2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.043 -3.728 -2.058 1.00 0.00 H new ATOM 0 HE ARG A 61 5.493 -5.487 0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.849 -4.444 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.506 -4.818 -2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.630 -5.888 0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.941 -5.623 -0.323 1.00 0.00 H new ATOM 538 N VAL A 62 -0.413 -3.551 0.056 1.00 0.00 N ATOM 539 CA VAL A 62 -1.565 -3.361 -0.829 1.00 0.00 C ATOM 540 C VAL A 62 -1.103 -2.864 -2.204 1.00 0.00 C ATOM 541 O VAL A 62 -0.060 -2.224 -2.307 1.00 0.00 O ATOM 542 CB VAL A 62 -2.587 -2.409 -0.159 1.00 0.00 C ATOM 543 CG1 VAL A 62 -3.743 -1.921 -1.055 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.259 -3.141 1.004 1.00 0.00 C ATOM 0 H VAL A 62 -0.269 -2.779 0.706 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.069 -4.313 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.994 -1.539 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.395 -1.262 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.337 -1.377 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.315 -2.778 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.981 -2.479 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.772 -4.026 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.504 -3.440 1.731 1.00 0.00 H new ATOM 554 N GLY A 63 -1.924 -3.025 -3.246 1.00 0.00 N ATOM 555 CA GLY A 63 -1.937 -2.081 -4.355 1.00 0.00 C ATOM 556 C GLY A 63 -3.325 -1.947 -4.967 1.00 0.00 C ATOM 557 O GLY A 63 -4.115 -2.890 -4.901 1.00 0.00 O ATOM 0 H GLY A 63 -2.583 -3.798 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.598 -1.106 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.233 -2.409 -5.120 1.00 0.00 H new ATOM 561 N GLY A 64 -3.628 -0.789 -5.551 1.00 0.00 N ATOM 562 CA GLY A 64 -4.934 -0.412 -6.082 1.00 0.00 C ATOM 563 C GLY A 64 -4.928 1.051 -6.521 1.00 0.00 C ATOM 564 O GLY A 64 -3.888 1.709 -6.429 1.00 0.00 O ATOM 0 H GLY A 64 -2.933 -0.052 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.188 -1.051 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.701 -0.568 -5.323 1.00 0.00 H new ATOM 568 N MET A 65 -6.063 1.564 -7.005 1.00 0.00 N ATOM 569 CA MET A 65 -6.134 2.856 -7.681 1.00 0.00 C ATOM 570 C MET A 65 -6.659 3.941 -6.758 1.00 0.00 C ATOM 571 O MET A 65 -7.686 3.739 -6.131 1.00 0.00 O ATOM 572 CB MET A 65 -7.006 2.750 -8.934 1.00 0.00 C ATOM 573 CG MET A 65 -6.930 4.010 -9.801 1.00 0.00 C ATOM 574 SD MET A 65 -7.579 3.879 -11.487 1.00 0.00 S ATOM 575 CE MET A 65 -6.914 2.286 -12.040 1.00 0.00 C ATOM 0 H MET A 65 -6.963 1.089 -6.937 1.00 0.00 H new ATOM 0 HA MET A 65 -5.122 3.136 -7.975 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.691 1.887 -9.521 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.041 2.575 -8.640 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.469 4.807 -9.290 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.886 4.319 -9.861 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.960 2.231 -13.128 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.878 2.192 -11.715 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.504 1.477 -11.610 1.00 0.00 H new ATOM 585 N VAL A 66 -5.960 5.063 -6.618 1.00 0.00 N ATOM 586 CA VAL A 66 -6.375 6.174 -5.762 1.00 0.00 C ATOM 587 C VAL A 66 -7.660 6.778 -6.334 1.00 0.00 C ATOM 588 O VAL A 66 -7.667 7.152 -7.505 1.00 0.00 O ATOM 589 CB VAL A 66 -5.227 7.200 -5.713 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.513 8.428 -4.842 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.950 6.555 -5.169 1.00 0.00 C ATOM 0 H VAL A 66 -5.078 5.230 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.583 5.844 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.114 7.531 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.653 9.098 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.390 8.950 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.700 8.111 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.151 7.296 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.132 6.181 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.656 5.728 -5.815 1.00 0.00 H new ATOM 601 N MET A 67 -8.724 6.890 -5.532 1.00 0.00 N ATOM 602 CA MET A 67 -9.920 7.642 -5.907 1.00 0.00 C ATOM 603 C MET A 67 -9.571 9.097 -6.245 1.00 0.00 C ATOM 604 O MET A 67 -8.652 9.687 -5.669 1.00 0.00 O ATOM 605 CB MET A 67 -10.917 7.632 -4.744 1.00 0.00 C ATOM 606 CG MET A 67 -11.714 6.346 -4.612 1.00 0.00 C ATOM 607 SD MET A 67 -12.958 6.503 -3.314 1.00 0.00 S ATOM 608 CE MET A 67 -13.558 4.805 -3.316 1.00 0.00 C ATOM 0 H MET A 67 -8.778 6.462 -4.608 1.00 0.00 H new ATOM 0 HA MET A 67 -10.357 7.169 -6.787 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.374 7.806 -3.815 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.610 8.464 -4.869 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.197 6.112 -5.561 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.044 5.518 -4.383 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.457 4.736 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.791 4.503 -4.337 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.790 4.147 -2.909 1.00 0.00 H new ATOM 618 N PRO A 68 -10.359 9.721 -7.129 1.00 0.00 N ATOM 619 CA PRO A 68 -10.205 11.115 -7.490 1.00 0.00 C ATOM 620 C PRO A 68 -10.510 11.961 -6.255 1.00 0.00 C ATOM 621 O PRO A 68 -11.582 11.839 -5.660 1.00 0.00 O ATOM 622 CB PRO A 68 -11.177 11.351 -8.649 1.00 0.00 C ATOM 623 CG PRO A 68 -12.230 10.254 -8.483 1.00 0.00 C ATOM 624 CD PRO A 68 -11.541 9.141 -7.734 1.00 0.00 C ATOM 0 HA PRO A 68 -9.200 11.387 -7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.624 12.344 -8.598 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.673 11.277 -9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.095 10.621 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.593 9.909 -9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.199 8.720 -6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.272 8.328 -8.409 1.00 0.00 H new ATOM 632 N GLY A 69 -9.551 12.785 -5.835 1.00 0.00 N ATOM 633 CA GLY A 69 -9.747 13.743 -4.756 1.00 0.00 C ATOM 634 C GLY A 69 -9.901 13.141 -3.361 1.00 0.00 C ATOM 635 O GLY A 69 -10.131 13.908 -2.425 1.00 0.00 O ATOM 0 H GLY A 69 -8.614 12.804 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.900 14.429 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.635 14.336 -4.977 1.00 0.00 H new ATOM 639 N SER A 70 -9.756 11.821 -3.173 1.00 0.00 N ATOM 640 CA SER A 70 -9.815 11.243 -1.829 1.00 0.00 C ATOM 641 C SER A 70 -8.651 11.742 -0.966 1.00 0.00 C ATOM 642 O SER A 70 -8.752 11.783 0.259 1.00 0.00 O ATOM 643 CB SER A 70 -9.836 9.716 -1.899 1.00 0.00 C ATOM 644 OG SER A 70 -8.668 9.227 -2.544 1.00 0.00 O ATOM 0 H SER A 70 -9.600 11.147 -3.922 1.00 0.00 H new ATOM 0 HA SER A 70 -10.741 11.571 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.902 9.302 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.722 9.384 -2.440 1.00 0.00 H new ATOM 0 HG SER A 70 -8.743 9.371 -3.510 1.00 0.00 H new ATOM 650 N VAL A 71 -7.551 12.144 -1.604 1.00 0.00 N ATOM 651 CA VAL A 71 -6.353 12.660 -0.975 1.00 0.00 C ATOM 652 C VAL A 71 -6.703 13.917 -0.164 1.00 0.00 C ATOM 653 O VAL A 71 -6.978 14.983 -0.719 1.00 0.00 O ATOM 654 CB VAL A 71 -5.240 12.874 -2.025 1.00 0.00 C ATOM 655 CG1 VAL A 71 -3.890 12.971 -1.309 1.00 0.00 C ATOM 656 CG2 VAL A 71 -5.132 11.712 -3.030 1.00 0.00 C ATOM 0 H VAL A 71 -7.476 12.114 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.949 11.936 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.494 13.784 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.099 13.122 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.906 13.811 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.703 12.049 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.333 11.920 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.910 10.788 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.076 11.604 -3.565 1.00 0.00 H new ATOM 666 N GLN A 72 -6.730 13.774 1.164 1.00 0.00 N ATOM 667 CA GLN A 72 -6.854 14.826 2.138 1.00 0.00 C ATOM 668 C GLN A 72 -5.679 15.783 1.983 1.00 0.00 C ATOM 669 O GLN A 72 -5.912 16.922 1.589 1.00 0.00 O ATOM 670 CB GLN A 72 -6.930 14.166 3.519 1.00 0.00 C ATOM 671 CG GLN A 72 -6.817 15.175 4.654 1.00 0.00 C ATOM 672 CD GLN A 72 -6.938 14.481 6.000 1.00 0.00 C ATOM 673 OE1 GLN A 72 -5.940 14.152 6.631 1.00 0.00 O ATOM 674 NE2 GLN A 72 -8.153 14.241 6.452 1.00 0.00 N ATOM 0 H GLN A 72 -6.660 12.855 1.601 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.756 15.422 2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.873 13.627 3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.132 13.430 3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.861 15.695 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.598 15.929 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.966 14.526 5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.280 13.770 7.348 1.00 0.00 H new ATOM 683 N ARG A 73 -4.472 15.261 2.266 1.00 0.00 N ATOM 684 CA ARG A 73 -3.147 15.887 2.382 1.00 0.00 C ATOM 685 C ARG A 73 -3.105 17.217 3.129 1.00 0.00 C ATOM 686 O ARG A 73 -3.859 18.141 2.857 1.00 0.00 O ATOM 687 CB ARG A 73 -2.405 15.924 1.044 1.00 0.00 C ATOM 688 CG ARG A 73 -3.203 16.644 -0.042 1.00 0.00 C ATOM 689 CD ARG A 73 -2.370 16.806 -1.309 1.00 0.00 C ATOM 690 NE ARG A 73 -3.012 17.707 -2.280 1.00 0.00 N ATOM 691 CZ ARG A 73 -2.376 18.648 -2.986 1.00 0.00 C ATOM 692 NH1 ARG A 73 -1.048 18.690 -3.037 1.00 0.00 N ATOM 693 NH2 ARG A 73 -3.085 19.576 -3.612 1.00 0.00 N ATOM 0 H ARG A 73 -4.397 14.259 2.441 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.594 15.219 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.445 16.423 1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.193 14.905 0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.109 16.082 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.517 17.623 0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.386 17.196 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.215 15.830 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.017 17.606 -2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.496 17.997 -2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.581 19.416 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.103 19.567 -3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.613 20.300 -4.154 1.00 0.00 H new ATOM 758 N LEU A 78 2.950 16.979 6.607 1.00 0.00 N ATOM 759 CA LEU A 78 3.189 15.887 5.662 1.00 0.00 C ATOM 760 C LEU A 78 2.170 14.761 5.860 1.00 0.00 C ATOM 761 O LEU A 78 2.156 13.798 5.097 1.00 0.00 O ATOM 762 CB LEU A 78 4.619 15.339 5.850 1.00 0.00 C ATOM 763 CG LEU A 78 5.779 16.146 5.236 1.00 0.00 C ATOM 764 CD1 LEU A 78 5.952 17.543 5.844 1.00 0.00 C ATOM 765 CD2 LEU A 78 7.086 15.367 5.453 1.00 0.00 C ATOM 0 HA LEU A 78 3.078 16.276 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.805 15.245 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.651 14.333 5.431 1.00 0.00 H new ATOM 0 HG LEU A 78 5.542 16.281 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.788 18.049 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.041 18.121 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.151 17.453 6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.918 15.925 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.254 15.229 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.014 14.393 4.968 1.00 0.00 H new ATOM 777 N LYS A 79 1.304 14.849 6.873 1.00 0.00 N ATOM 778 CA LYS A 79 0.167 13.966 7.041 1.00 0.00 C ATOM 779 C LYS A 79 -0.709 14.026 5.801 1.00 0.00 C ATOM 780 O LYS A 79 -0.919 15.087 5.215 1.00 0.00 O ATOM 781 CB LYS A 79 -0.605 14.413 8.290 1.00 0.00 C ATOM 782 CG LYS A 79 -0.268 13.529 9.498 1.00 0.00 C ATOM 783 CD LYS A 79 -1.148 12.276 9.524 1.00 0.00 C ATOM 784 CE LYS A 79 -2.344 12.440 10.473 1.00 0.00 C ATOM 785 NZ LYS A 79 -3.563 11.761 9.986 1.00 0.00 N ATOM 0 H LYS A 79 1.383 15.552 7.608 1.00 0.00 H new ATOM 0 HA LYS A 79 0.491 12.933 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.364 15.451 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.676 14.371 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.782 13.239 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.409 14.096 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.509 12.064 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.551 11.419 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.080 12.043 11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.554 13.501 10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.336 11.906 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.835 12.156 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.377 10.743 9.885 1.00 0.00 H new ATOM 799 N VAL A 80 -1.263 12.885 5.432 1.00 0.00 N ATOM 800 CA VAL A 80 -2.175 12.760 4.308 1.00 0.00 C ATOM 801 C VAL A 80 -3.018 11.511 4.566 1.00 0.00 C ATOM 802 O VAL A 80 -2.512 10.498 5.054 1.00 0.00 O ATOM 803 CB VAL A 80 -1.353 12.706 3.000 1.00 0.00 C ATOM 804 CG1 VAL A 80 -0.167 11.757 3.072 1.00 0.00 C ATOM 805 CG2 VAL A 80 -2.219 12.312 1.804 1.00 0.00 C ATOM 0 H VAL A 80 -1.089 12.003 5.914 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.850 13.610 4.201 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.972 13.719 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.366 11.768 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.506 12.075 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.521 10.747 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.605 12.285 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.652 11.327 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.018 13.043 1.677 1.00 0.00 H new ATOM 815 N THR A 81 -4.290 11.535 4.190 1.00 0.00 N ATOM 816 CA THR A 81 -5.101 10.332 4.091 1.00 0.00 C ATOM 817 C THR A 81 -5.596 10.266 2.645 1.00 0.00 C ATOM 818 O THR A 81 -5.704 11.316 2.003 1.00 0.00 O ATOM 819 CB THR A 81 -6.176 10.291 5.195 1.00 0.00 C ATOM 820 OG1 THR A 81 -7.189 11.255 4.988 1.00 0.00 O ATOM 821 CG2 THR A 81 -5.547 10.538 6.577 1.00 0.00 C ATOM 0 H THR A 81 -4.788 12.391 3.945 1.00 0.00 H new ATOM 0 HA THR A 81 -4.541 9.417 4.285 1.00 0.00 H new ATOM 0 HB THR A 81 -6.622 9.297 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.850 11.194 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.323 10.505 7.341 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.803 9.768 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.068 11.517 6.589 1.00 0.00 H new ATOM 829 N PHE A 82 -5.847 9.077 2.105 1.00 0.00 N ATOM 830 CA PHE A 82 -6.534 8.893 0.829 1.00 0.00 C ATOM 831 C PHE A 82 -7.364 7.614 0.890 1.00 0.00 C ATOM 832 O PHE A 82 -7.295 6.869 1.869 1.00 0.00 O ATOM 833 CB PHE A 82 -5.560 8.889 -0.370 1.00 0.00 C ATOM 834 CG PHE A 82 -4.476 7.822 -0.412 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.251 8.096 0.214 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.618 6.620 -1.143 1.00 0.00 C ATOM 837 CE1 PHE A 82 -2.179 7.197 0.138 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.536 5.722 -1.232 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.318 6.011 -0.595 1.00 0.00 C ATOM 0 H PHE A 82 -5.575 8.200 2.548 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.196 9.743 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.153 8.798 -1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.071 9.862 -0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.132 9.017 0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.553 6.391 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.250 7.417 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.644 4.806 -1.793 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.491 5.321 -0.670 1.00 0.00 H new ATOM 849 N THR A 83 -8.084 7.327 -0.189 1.00 0.00 N ATOM 850 CA THR A 83 -8.789 6.075 -0.404 1.00 0.00 C ATOM 851 C THR A 83 -8.326 5.518 -1.747 1.00 0.00 C ATOM 852 O THR A 83 -8.183 6.272 -2.719 1.00 0.00 O ATOM 853 CB THR A 83 -10.307 6.316 -0.367 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.664 6.954 0.839 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.102 5.019 -0.499 1.00 0.00 C ATOM 0 H THR A 83 -8.195 7.983 -0.962 1.00 0.00 H new ATOM 0 HA THR A 83 -8.569 5.351 0.381 1.00 0.00 H new ATOM 0 HB THR A 83 -10.551 6.950 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.632 7.106 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.169 5.241 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.859 4.538 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.846 4.350 0.323 1.00 0.00 H new ATOM 863 N ILE A 84 -8.102 4.208 -1.796 1.00 0.00 N ATOM 864 CA ILE A 84 -7.728 3.428 -2.972 1.00 0.00 C ATOM 865 C ILE A 84 -8.848 2.415 -3.201 1.00 0.00 C ATOM 866 O ILE A 84 -9.406 1.908 -2.235 1.00 0.00 O ATOM 867 CB ILE A 84 -6.358 2.716 -2.782 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.834 2.680 -1.340 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.279 3.316 -3.686 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.650 1.718 -1.157 1.00 0.00 C ATOM 0 H ILE A 84 -8.182 3.626 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.607 4.080 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.565 1.684 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.529 3.684 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.643 2.383 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.337 2.792 -3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.578 3.211 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.152 4.372 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.324 1.736 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.958 0.707 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.827 2.027 -1.801 1.00 0.00 H new ATOM 882 N TYR A 85 -9.176 2.108 -4.453 1.00 0.00 N ATOM 883 CA TYR A 85 -10.314 1.288 -4.843 1.00 0.00 C ATOM 884 C TYR A 85 -9.933 0.366 -6.004 1.00 0.00 C ATOM 885 O TYR A 85 -8.848 0.486 -6.588 1.00 0.00 O ATOM 886 CB TYR A 85 -11.503 2.194 -5.198 1.00 0.00 C ATOM 887 CG TYR A 85 -11.367 2.858 -6.546 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.532 3.974 -6.700 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.978 2.281 -7.668 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.263 4.505 -7.969 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.720 2.794 -8.944 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.867 3.910 -9.102 1.00 0.00 C ATOM 893 OH TYR A 85 -10.615 4.389 -10.345 1.00 0.00 O ATOM 0 H TYR A 85 -8.635 2.437 -5.252 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.611 0.652 -4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.418 1.603 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.607 2.962 -4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.089 4.431 -5.827 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.647 1.442 -7.548 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.605 5.354 -8.080 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.174 2.336 -9.810 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.693 4.174 -10.598 1.00 0.00 H new ATOM 903 N ASP A 86 -10.819 -0.567 -6.342 1.00 0.00 N ATOM 904 CA ASP A 86 -10.701 -1.457 -7.501 1.00 0.00 C ATOM 905 C ASP A 86 -12.101 -1.769 -8.037 1.00 0.00 C ATOM 906 O ASP A 86 -13.050 -1.068 -7.690 1.00 0.00 O ATOM 907 CB ASP A 86 -9.904 -2.732 -7.133 1.00 0.00 C ATOM 908 CG ASP A 86 -9.146 -3.343 -8.318 1.00 0.00 C ATOM 909 OD1 ASP A 86 -8.795 -2.610 -9.275 1.00 0.00 O ATOM 910 OD2 ASP A 86 -8.797 -4.537 -8.243 1.00 0.00 O ATOM 0 H ASP A 86 -11.668 -0.732 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.139 -0.965 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.193 -2.491 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.590 -3.476 -6.729 1.00 0.00 H new ATOM 915 N ALA A 87 -12.260 -2.790 -8.881 1.00 0.00 N ATOM 916 CA ALA A 87 -13.550 -3.195 -9.443 1.00 0.00 C ATOM 917 C ALA A 87 -14.553 -3.737 -8.405 1.00 0.00 C ATOM 918 O ALA A 87 -15.685 -4.051 -8.768 1.00 0.00 O ATOM 919 CB ALA A 87 -13.280 -4.259 -10.504 1.00 0.00 C ATOM 0 H ALA A 87 -11.483 -3.369 -9.199 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.020 -2.305 -9.861 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.224 -4.583 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.641 -3.842 -11.283 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.782 -5.113 -10.045 1.00 0.00 H new ATOM 925 N GLU A 88 -14.143 -3.872 -7.143 1.00 0.00 N ATOM 926 CA GLU A 88 -14.859 -4.530 -6.067 1.00 0.00 C ATOM 927 C GLU A 88 -15.233 -3.425 -5.083 1.00 0.00 C ATOM 928 O GLU A 88 -16.328 -2.864 -5.132 1.00 0.00 O ATOM 929 CB GLU A 88 -13.946 -5.609 -5.447 1.00 0.00 C ATOM 930 CG GLU A 88 -13.111 -6.395 -6.450 1.00 0.00 C ATOM 931 CD GLU A 88 -13.969 -7.230 -7.397 1.00 0.00 C ATOM 932 OE1 GLU A 88 -14.772 -8.052 -6.908 1.00 0.00 O ATOM 933 OE2 GLU A 88 -13.851 -7.020 -8.625 1.00 0.00 O ATOM 0 H GLU A 88 -13.245 -3.499 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.762 -5.045 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.275 -5.131 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.564 -6.308 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.501 -5.703 -7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.425 -7.050 -5.913 1.00 0.00 H new ATOM 940 N GLY A 89 -14.265 -3.047 -4.246 1.00 0.00 N ATOM 941 CA GLY A 89 -14.452 -2.150 -3.125 1.00 0.00 C ATOM 942 C GLY A 89 -13.301 -1.166 -2.988 1.00 0.00 C ATOM 943 O GLY A 89 -12.662 -0.818 -3.991 1.00 0.00 O ATOM 0 H GLY A 89 -13.303 -3.372 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.385 -1.601 -3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.545 -2.730 -2.207 1.00 0.00 H new ATOM 947 N SER A 90 -13.087 -0.637 -1.783 1.00 0.00 N ATOM 948 CA SER A 90 -12.051 0.342 -1.520 1.00 0.00 C ATOM 949 C SER A 90 -11.530 0.242 -0.086 1.00 0.00 C ATOM 950 O SER A 90 -12.152 -0.417 0.751 1.00 0.00 O ATOM 951 CB SER A 90 -12.599 1.726 -1.883 1.00 0.00 C ATOM 952 OG SER A 90 -13.726 2.120 -1.119 1.00 0.00 O ATOM 0 H SER A 90 -13.637 -0.883 -0.960 1.00 0.00 H new ATOM 0 HA SER A 90 -11.176 0.148 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.808 2.464 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.869 1.733 -2.939 1.00 0.00 H new ATOM 0 HG SER A 90 -13.826 3.094 -1.161 1.00 0.00 H new ATOM 958 N VAL A 91 -10.384 0.870 0.191 1.00 0.00 N ATOM 959 CA VAL A 91 -9.689 0.862 1.474 1.00 0.00 C ATOM 960 C VAL A 91 -9.197 2.273 1.770 1.00 0.00 C ATOM 961 O VAL A 91 -8.715 2.970 0.868 1.00 0.00 O ATOM 962 CB VAL A 91 -8.548 -0.187 1.487 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.104 -1.590 1.234 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.397 0.060 0.505 1.00 0.00 C ATOM 0 H VAL A 91 -9.894 1.425 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.373 0.563 2.268 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.121 -0.090 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.288 -2.313 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.824 -1.842 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.597 -1.616 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.658 -0.736 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.784 0.073 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.929 1.019 0.727 1.00 0.00 H new ATOM 974 N ASP A 92 -9.343 2.687 3.027 1.00 0.00 N ATOM 975 CA ASP A 92 -8.796 3.939 3.534 1.00 0.00 C ATOM 976 C ASP A 92 -7.283 3.743 3.700 1.00 0.00 C ATOM 977 O ASP A 92 -6.834 2.625 3.988 1.00 0.00 O ATOM 978 CB ASP A 92 -9.420 4.321 4.896 1.00 0.00 C ATOM 979 CG ASP A 92 -10.868 4.835 4.862 1.00 0.00 C ATOM 980 OD1 ASP A 92 -11.713 4.297 4.103 1.00 0.00 O ATOM 981 OD2 ASP A 92 -11.208 5.743 5.660 1.00 0.00 O ATOM 0 H ASP A 92 -9.853 2.153 3.731 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.021 4.745 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.382 3.447 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.796 5.087 5.355 1.00 0.00 H new ATOM 986 N VAL A 93 -6.494 4.814 3.582 1.00 0.00 N ATOM 987 CA VAL A 93 -5.056 4.816 3.826 1.00 0.00 C ATOM 988 C VAL A 93 -4.666 6.070 4.607 1.00 0.00 C ATOM 989 O VAL A 93 -4.913 7.185 4.135 1.00 0.00 O ATOM 990 CB VAL A 93 -4.261 4.747 2.507 1.00 0.00 C ATOM 991 CG1 VAL A 93 -2.752 4.680 2.790 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.626 3.530 1.649 1.00 0.00 C ATOM 0 H VAL A 93 -6.852 5.728 3.306 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.810 3.930 4.411 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.522 5.652 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.207 4.632 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.445 5.569 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.532 3.792 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.033 3.538 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.420 2.617 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.685 3.569 1.395 1.00 0.00 H new ATOM 1002 N SER A 94 -3.961 5.908 5.725 1.00 0.00 N ATOM 1003 CA SER A 94 -3.236 6.969 6.420 1.00 0.00 C ATOM 1004 C SER A 94 -1.756 6.921 6.008 1.00 0.00 C ATOM 1005 O SER A 94 -1.174 5.839 5.938 1.00 0.00 O ATOM 1006 CB SER A 94 -3.412 6.804 7.935 1.00 0.00 C ATOM 1007 OG SER A 94 -3.446 5.448 8.317 1.00 0.00 O ATOM 0 H SER A 94 -3.876 5.003 6.188 1.00 0.00 H new ATOM 0 HA SER A 94 -3.633 7.946 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.594 7.306 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.335 7.292 8.248 1.00 0.00 H new ATOM 0 HG SER A 94 -4.324 5.069 8.101 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.135 8.066 5.714 1.00 0.00 N ATOM 1014 CA TYR A 95 0.285 8.225 5.469 1.00 0.00 C ATOM 1015 C TYR A 95 0.743 9.550 6.083 1.00 0.00 C ATOM 1016 O TYR A 95 -0.055 10.400 6.497 1.00 0.00 O ATOM 1017 CB TYR A 95 0.564 8.149 3.952 1.00 0.00 C ATOM 1018 CG TYR A 95 2.017 8.280 3.518 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.985 7.438 4.087 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.415 9.269 2.592 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.337 7.580 3.733 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.763 9.394 2.194 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.734 8.559 2.792 1.00 0.00 C ATOM 1024 OH TYR A 95 6.054 8.752 2.520 1.00 0.00 O ATOM 0 H TYR A 95 -1.643 8.947 5.639 1.00 0.00 H new ATOM 0 HA TYR A 95 0.853 7.421 5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.183 7.197 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.010 8.934 3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.690 6.680 4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.676 9.941 2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.079 6.937 4.183 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.048 10.117 1.444 1.00 0.00 H new ATOM 0 HH TYR A 95 6.383 8.019 1.958 1.00 0.00 H new ATOM 1034 N GLU A 96 2.055 9.720 6.120 1.00 0.00 N ATOM 1035 CA GLU A 96 2.780 10.868 6.602 1.00 0.00 C ATOM 1036 C GLU A 96 4.059 10.872 5.774 1.00 0.00 C ATOM 1037 O GLU A 96 4.908 9.994 5.950 1.00 0.00 O ATOM 1038 CB GLU A 96 3.035 10.687 8.103 1.00 0.00 C ATOM 1039 CG GLU A 96 3.982 11.736 8.697 1.00 0.00 C ATOM 1040 CD GLU A 96 4.346 11.370 10.134 1.00 0.00 C ATOM 1041 OE1 GLU A 96 4.999 10.325 10.345 1.00 0.00 O ATOM 1042 OE2 GLU A 96 3.960 12.135 11.058 1.00 0.00 O ATOM 0 H GLU A 96 2.686 8.993 5.784 1.00 0.00 H new ATOM 0 HA GLU A 96 2.256 11.818 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.083 10.729 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.452 9.695 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.886 11.803 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.509 12.718 8.674 1.00 0.00 H new ATOM 1049 N GLY A 97 4.176 11.782 4.813 1.00 0.00 N ATOM 1050 CA GLY A 97 5.409 11.923 4.059 1.00 0.00 C ATOM 1051 C GLY A 97 5.270 12.938 2.940 1.00 0.00 C ATOM 1052 O GLY A 97 4.342 13.743 2.923 1.00 0.00 O ATOM 0 H GLY A 97 3.435 12.428 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.212 12.228 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.692 10.957 3.641 1.00 0.00 H new ATOM 1056 N ILE A 98 6.226 12.921 2.015 1.00 0.00 N ATOM 1057 CA ILE A 98 6.257 13.851 0.890 1.00 0.00 C ATOM 1058 C ILE A 98 5.375 13.383 -0.272 1.00 0.00 C ATOM 1059 O ILE A 98 4.955 14.198 -1.092 1.00 0.00 O ATOM 1060 CB ILE A 98 7.731 14.132 0.500 1.00 0.00 C ATOM 1061 CG1 ILE A 98 7.868 15.314 -0.491 1.00 0.00 C ATOM 1062 CG2 ILE A 98 8.492 12.865 0.051 1.00 0.00 C ATOM 1063 CD1 ILE A 98 8.000 14.960 -1.978 1.00 0.00 C ATOM 0 H ILE A 98 7.003 12.260 2.025 1.00 0.00 H new ATOM 0 HA ILE A 98 5.815 14.802 1.189 1.00 0.00 H new ATOM 0 HB ILE A 98 8.229 14.453 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.998 15.960 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.741 15.899 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.517 13.129 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.499 12.138 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.998 12.433 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.088 15.875 -2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.888 14.346 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.118 14.407 -2.300 1.00 0.00 H new ATOM 1075 N LEU A 99 5.056 12.086 -0.281 1.00 0.00 N ATOM 1076 CA LEU A 99 4.497 11.281 -1.361 1.00 0.00 C ATOM 1077 C LEU A 99 5.477 11.111 -2.520 1.00 0.00 C ATOM 1078 O LEU A 99 6.345 11.952 -2.740 1.00 0.00 O ATOM 1079 CB LEU A 99 3.118 11.777 -1.849 1.00 0.00 C ATOM 1080 CG LEU A 99 2.002 11.395 -0.872 1.00 0.00 C ATOM 1081 CD1 LEU A 99 0.750 12.238 -1.115 1.00 0.00 C ATOM 1082 CD2 LEU A 99 1.655 9.909 -0.999 1.00 0.00 C ATOM 0 H LEU A 99 5.199 11.520 0.555 1.00 0.00 H new ATOM 0 HA LEU A 99 4.326 10.295 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.142 12.860 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.904 11.352 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 99 2.365 11.590 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.027 11.947 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.989 13.293 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.394 12.076 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.860 9.660 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.320 9.699 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.537 9.309 -0.777 1.00 0.00 H new ATOM 1094 N PRO A 100 5.372 10.000 -3.267 1.00 0.00 N ATOM 1095 CA PRO A 100 6.089 9.858 -4.523 1.00 0.00 C ATOM 1096 C PRO A 100 5.583 10.933 -5.488 1.00 0.00 C ATOM 1097 O PRO A 100 4.370 11.124 -5.599 1.00 0.00 O ATOM 1098 CB PRO A 100 5.764 8.449 -5.041 1.00 0.00 C ATOM 1099 CG PRO A 100 5.004 7.763 -3.903 1.00 0.00 C ATOM 1100 CD PRO A 100 4.451 8.895 -3.062 1.00 0.00 C ATOM 0 HA PRO A 100 7.167 9.980 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.159 8.493 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.674 7.903 -5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.204 7.130 -4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.664 7.122 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.441 9.160 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.398 8.615 -2.010 1.00 0.00 H new ATOM 1108 N ASP A 101 6.462 11.563 -6.265 1.00 0.00 N ATOM 1109 CA ASP A 101 6.062 12.427 -7.387 1.00 0.00 C ATOM 1110 C ASP A 101 5.401 11.595 -8.490 1.00 0.00 C ATOM 1111 O ASP A 101 4.779 12.111 -9.406 1.00 0.00 O ATOM 1112 CB ASP A 101 7.289 13.153 -7.949 1.00 0.00 C ATOM 1113 CG ASP A 101 6.980 14.482 -8.654 1.00 0.00 C ATOM 1114 OD1 ASP A 101 5.942 14.641 -9.335 1.00 0.00 O ATOM 1115 OD2 ASP A 101 7.857 15.369 -8.527 1.00 0.00 O ATOM 0 H ASP A 101 7.472 11.493 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 101 5.344 13.162 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.987 13.343 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.794 12.492 -8.653 1.00 0.00 H new ATOM 1120 N LEU A 102 5.513 10.269 -8.434 1.00 0.00 N ATOM 1121 CA LEU A 102 4.798 9.406 -9.353 1.00 0.00 C ATOM 1122 C LEU A 102 3.320 9.255 -8.982 1.00 0.00 C ATOM 1123 O LEU A 102 2.518 8.974 -9.872 1.00 0.00 O ATOM 1124 CB LEU A 102 5.529 8.069 -9.453 1.00 0.00 C ATOM 1125 CG LEU A 102 6.706 8.195 -10.439 1.00 0.00 C ATOM 1126 CD1 LEU A 102 8.019 8.432 -9.695 1.00 0.00 C ATOM 1127 CD2 LEU A 102 6.750 6.969 -11.330 1.00 0.00 C ATOM 0 H LEU A 102 6.095 9.775 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 102 4.790 9.867 -10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.895 7.769 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.842 7.292 -9.788 1.00 0.00 H new ATOM 0 HG LEU A 102 6.559 9.066 -11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.834 8.517 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.948 9.353 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.213 7.595 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.582 7.056 -12.028 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.883 6.078 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.816 6.890 -11.887 1.00 0.00 H new ATOM 1139 N PHE A 103 2.963 9.434 -7.706 1.00 0.00 N ATOM 1140 CA PHE A 103 1.613 9.301 -7.160 1.00 0.00 C ATOM 1141 C PHE A 103 0.647 10.342 -7.740 1.00 0.00 C ATOM 1142 O PHE A 103 0.939 11.538 -7.717 1.00 0.00 O ATOM 1143 CB PHE A 103 1.708 9.387 -5.634 1.00 0.00 C ATOM 1144 CG PHE A 103 0.459 9.008 -4.869 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.546 9.971 -4.682 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.321 7.730 -4.290 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.693 9.670 -3.939 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -0.808 7.450 -3.497 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.810 8.418 -3.319 1.00 0.00 C ATOM 0 H PHE A 103 3.645 9.689 -6.991 1.00 0.00 H new ATOM 0 HA PHE A 103 1.197 8.335 -7.447 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.522 8.742 -5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.980 10.407 -5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.433 10.953 -5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.074 6.973 -4.453 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.484 10.399 -3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -0.904 6.485 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.671 8.198 -2.705 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.509 9.908 -8.255 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.576 10.772 -8.771 1.00 0.00 C ATOM 1161 C ARG A 104 -2.939 10.232 -8.343 1.00 0.00 C ATOM 1162 O ARG A 104 -3.043 9.111 -7.845 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.490 10.904 -10.307 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.117 11.293 -10.865 1.00 0.00 C ATOM 1165 CD ARG A 104 0.197 12.778 -10.620 1.00 0.00 C ATOM 1166 NE ARG A 104 1.569 13.152 -11.034 1.00 0.00 N ATOM 1167 CZ ARG A 104 2.500 13.730 -10.249 1.00 0.00 C ATOM 1168 NH1 ARG A 104 2.361 13.764 -8.927 1.00 0.00 N ATOM 1169 NH2 ARG A 104 3.578 14.284 -10.801 1.00 0.00 N ATOM 0 H ARG A 104 -0.734 8.916 -8.326 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.449 11.769 -8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.787 9.954 -10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.217 11.649 -10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.653 10.677 -10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.087 11.087 -11.935 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.521 13.391 -11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.069 13.002 -9.561 1.00 0.00 H new ATOM 0 HE ARG A 104 1.833 12.955 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.539 13.348 -8.490 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.077 14.206 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.697 14.270 -11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.285 14.722 -10.211 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.998 11.002 -8.559 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.335 10.745 -8.030 1.00 0.00 C ATOM 1185 C GLU A 105 -6.184 10.111 -9.124 1.00 0.00 C ATOM 1186 O GLU A 105 -6.959 10.780 -9.814 1.00 0.00 O ATOM 1187 CB GLU A 105 -5.949 12.035 -7.472 1.00 0.00 C ATOM 1188 CG GLU A 105 -5.071 12.650 -6.378 1.00 0.00 C ATOM 1189 CD GLU A 105 -4.168 13.769 -6.901 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -4.665 14.908 -7.036 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -2.952 13.559 -7.128 1.00 0.00 O ATOM 0 H GLU A 105 -3.950 11.849 -9.125 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.286 10.046 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.082 12.754 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.939 11.823 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.708 13.044 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -4.454 11.870 -5.932 1.00 0.00 H new ATOM 1198 N GLY A 106 -5.989 8.812 -9.303 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.544 8.040 -10.406 1.00 0.00 C ATOM 1200 C GLY A 106 -5.490 7.164 -11.081 1.00 0.00 C ATOM 1201 O GLY A 106 -5.570 6.960 -12.295 1.00 0.00 O ATOM 0 H GLY A 106 -5.424 8.250 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.355 7.412 -10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.976 8.718 -11.142 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.493 6.666 -10.342 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.536 5.672 -10.828 1.00 0.00 C ATOM 1207 C GLN A 107 -3.337 4.563 -9.802 1.00 0.00 C ATOM 1208 O GLN A 107 -3.720 4.720 -8.641 1.00 0.00 O ATOM 1209 CB GLN A 107 -2.191 6.323 -11.134 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.624 7.063 -9.923 1.00 0.00 C ATOM 1211 CD GLN A 107 -0.112 6.971 -9.836 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.427 6.709 -8.774 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.610 7.203 -10.915 1.00 0.00 N ATOM 0 H GLN A 107 -4.328 6.948 -9.376 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.943 5.242 -11.743 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.483 5.559 -11.456 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.306 7.020 -11.964 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.918 8.111 -9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.062 6.652 -9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.150 7.421 -11.799 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.628 7.164 -10.866 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.707 3.474 -10.240 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.390 2.290 -9.464 1.00 0.00 C ATOM 1224 C GLY A 108 -1.139 2.527 -8.623 1.00 0.00 C ATOM 1225 O GLY A 108 -0.069 2.822 -9.152 1.00 0.00 O ATOM 0 H GLY A 108 -2.388 3.397 -11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.229 2.036 -8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.233 1.442 -10.130 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.274 2.389 -7.308 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.220 2.626 -6.324 1.00 0.00 C ATOM 1231 C VAL A 109 0.015 1.328 -5.538 1.00 0.00 C ATOM 1232 O VAL A 109 -0.777 0.388 -5.654 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.567 3.865 -5.465 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -1.088 5.014 -6.325 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.502 3.580 -4.287 1.00 0.00 C ATOM 0 H VAL A 109 -2.153 2.098 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 109 0.731 2.874 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 109 0.377 4.169 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.322 5.868 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.326 5.300 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.988 4.696 -6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.691 4.504 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.445 3.179 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.037 2.853 -3.621 1.00 0.00 H new ATOM 1245 N VAL A 110 1.070 1.263 -4.724 1.00 0.00 N ATOM 1246 CA VAL A 110 1.392 0.183 -3.806 1.00 0.00 C ATOM 1247 C VAL A 110 1.646 0.796 -2.431 1.00 0.00 C ATOM 1248 O VAL A 110 2.703 1.376 -2.181 1.00 0.00 O ATOM 1249 CB VAL A 110 2.566 -0.656 -4.360 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.314 -1.486 -3.308 1.00 0.00 C ATOM 1251 CG2 VAL A 110 2.003 -1.631 -5.394 1.00 0.00 C ATOM 0 H VAL A 110 1.761 2.012 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 110 0.567 -0.522 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 110 3.282 0.055 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.120 -2.041 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.731 -0.823 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.623 -2.185 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.812 -2.237 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.268 -2.280 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.527 -1.072 -6.200 1.00 0.00 H new ATOM 1261 N VAL A 111 0.655 0.723 -1.544 1.00 0.00 N ATOM 1262 CA VAL A 111 0.842 1.035 -0.143 1.00 0.00 C ATOM 1263 C VAL A 111 1.488 -0.194 0.500 1.00 0.00 C ATOM 1264 O VAL A 111 1.425 -1.318 0.000 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.525 1.431 0.448 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.754 1.105 1.917 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.795 2.913 0.274 1.00 0.00 C ATOM 0 H VAL A 111 -0.297 0.445 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 111 1.503 1.882 0.040 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.212 0.809 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.751 1.433 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.666 0.029 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.009 1.619 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.767 3.158 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.020 3.486 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.793 3.161 -0.787 1.00 0.00 H new ATOM 1277 N GLN A 112 2.113 0.024 1.644 1.00 0.00 N ATOM 1278 CA GLN A 112 2.711 -1.004 2.463 1.00 0.00 C ATOM 1279 C GLN A 112 2.731 -0.441 3.868 1.00 0.00 C ATOM 1280 O GLN A 112 3.049 0.742 4.009 1.00 0.00 O ATOM 1281 CB GLN A 112 4.116 -1.295 1.910 1.00 0.00 C ATOM 1282 CG GLN A 112 4.899 -2.277 2.777 1.00 0.00 C ATOM 1283 CD GLN A 112 5.850 -3.158 1.984 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.712 -4.371 2.007 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.847 -2.624 1.316 1.00 0.00 N ATOM 0 H GLN A 112 2.219 0.959 2.039 1.00 0.00 H new ATOM 0 HA GLN A 112 2.169 -1.950 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.028 -1.698 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.672 -0.361 1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.468 -1.719 3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.197 -2.910 3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.963 -1.611 1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.505 -3.223 0.817 1.00 0.00 H new ATOM 1294 N GLY A 113 2.401 -1.242 4.881 1.00 0.00 N ATOM 1295 CA GLY A 113 2.534 -0.804 6.253 1.00 0.00 C ATOM 1296 C GLY A 113 1.836 -1.810 7.143 1.00 0.00 C ATOM 1297 O GLY A 113 2.376 -2.903 7.321 1.00 0.00 O ATOM 0 H GLY A 113 2.043 -2.190 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.586 -0.722 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.094 0.185 6.380 1.00 0.00 H new ATOM 1301 N GLU A 114 0.663 -1.498 7.689 1.00 0.00 N ATOM 1302 CA GLU A 114 0.003 -2.381 8.636 1.00 0.00 C ATOM 1303 C GLU A 114 -1.497 -2.190 8.524 1.00 0.00 C ATOM 1304 O GLU A 114 -1.976 -1.178 8.017 1.00 0.00 O ATOM 1305 CB GLU A 114 0.528 -2.059 10.046 1.00 0.00 C ATOM 1306 CG GLU A 114 0.468 -3.224 11.043 1.00 0.00 C ATOM 1307 CD GLU A 114 1.248 -2.913 12.316 1.00 0.00 C ATOM 1308 OE1 GLU A 114 2.490 -2.757 12.222 1.00 0.00 O ATOM 1309 OE2 GLU A 114 0.670 -2.778 13.416 1.00 0.00 O ATOM 0 H GLU A 114 0.153 -0.638 7.489 1.00 0.00 H new ATOM 0 HA GLU A 114 0.218 -3.428 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.562 -1.724 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.047 -1.225 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.571 -3.435 11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.873 -4.123 10.578 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.236 -3.195 8.958 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.694 -3.133 9.008 1.00 0.00 C ATOM 1318 C LEU A 115 -4.129 -2.363 10.272 1.00 0.00 C ATOM 1319 O LEU A 115 -3.414 -2.411 11.277 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.230 -4.569 8.859 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.675 -4.661 8.338 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -5.922 -3.937 7.007 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.094 -6.109 8.080 1.00 0.00 C ATOM 0 H LEU A 115 -1.847 -4.079 9.287 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.133 -2.566 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.577 -5.118 8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.174 -5.066 9.827 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.250 -4.187 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.966 -4.055 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.695 -2.877 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.281 -4.364 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.120 -6.131 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.433 -6.552 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.028 -6.678 9.008 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.240 -1.609 10.221 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.787 -0.920 11.401 1.00 0.00 C ATOM 1337 C GLU A 116 -7.008 -1.657 11.950 1.00 0.00 C ATOM 1338 O GLU A 116 -7.007 -2.101 13.097 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.178 0.551 11.121 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.094 1.331 12.447 1.00 0.00 C ATOM 1341 CD GLU A 116 -6.907 2.630 12.480 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -6.391 3.702 12.090 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -8.057 2.616 12.982 1.00 0.00 O ATOM 0 H GLU A 116 -5.780 -1.461 9.368 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.984 -0.920 12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.509 0.988 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.187 0.605 10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.436 0.684 13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.049 1.567 12.648 1.00 0.00 H new ATOM 1350 N LYS A 117 -8.068 -1.709 11.135 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.440 -2.126 11.414 1.00 0.00 C ATOM 1352 C LYS A 117 -10.284 -1.678 10.226 1.00 0.00 C ATOM 1353 O LYS A 117 -9.897 -0.739 9.533 1.00 0.00 O ATOM 1354 CB LYS A 117 -9.986 -1.444 12.689 1.00 0.00 C ATOM 1355 CG LYS A 117 -10.125 -2.382 13.891 1.00 0.00 C ATOM 1356 CD LYS A 117 -11.476 -3.090 14.010 1.00 0.00 C ATOM 1357 CE LYS A 117 -11.653 -4.190 12.964 1.00 0.00 C ATOM 1358 NZ LYS A 117 -13.075 -4.396 12.642 1.00 0.00 N ATOM 0 H LYS A 117 -7.971 -1.429 10.159 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.474 -3.205 11.568 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.324 -0.621 12.959 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.961 -1.010 12.466 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.341 -3.137 13.836 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.952 -1.808 14.802 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.570 -3.522 15.006 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -12.277 -2.358 13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.107 -3.925 12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.223 -5.120 13.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.164 -5.148 11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.589 -4.672 13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.477 -3.514 12.266 1.00 0.00 H new ATOM 1372 N GLY A 118 -11.450 -2.295 10.013 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.474 -1.798 9.099 1.00 0.00 C ATOM 1374 C GLY A 118 -11.991 -1.616 7.666 1.00 0.00 C ATOM 1375 O GLY A 118 -12.612 -0.861 6.920 1.00 0.00 O ATOM 0 H GLY A 118 -11.709 -3.165 10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.316 -2.490 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.845 -0.843 9.470 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.920 -2.321 7.283 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.282 -2.281 5.974 1.00 0.00 C ATOM 1381 C ASN A 119 -9.478 -0.988 5.744 1.00 0.00 C ATOM 1382 O ASN A 119 -9.292 -0.591 4.595 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.280 -2.578 4.835 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.204 -3.765 5.087 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -11.670 -4.970 5.200 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -13.419 -3.609 5.172 1.00 0.00 N flip ATOM 0 H ASN A 119 -10.454 -2.969 7.918 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.549 -3.088 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.890 -1.691 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.719 -2.760 3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.821 -2.676 5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -14.026 -4.413 5.331 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.938 -0.371 6.796 1.00 0.00 N ATOM 1394 CA HIS A 120 -8.014 0.769 6.743 1.00 0.00 C ATOM 1395 C HIS A 120 -6.577 0.251 6.837 1.00 0.00 C ATOM 1396 O HIS A 120 -6.266 -0.560 7.713 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.321 1.723 7.912 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.449 2.954 8.077 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.461 3.770 9.183 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.501 3.473 7.236 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.536 4.733 9.021 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.943 4.596 7.831 1.00 0.00 N ATOM 0 H HIS A 120 -9.140 -0.663 7.752 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.135 1.311 5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.353 2.057 7.808 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.264 1.148 8.836 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -8.071 3.663 9.993 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.232 3.074 6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.307 5.502 9.744 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.704 0.725 5.946 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.265 0.496 5.942 1.00 0.00 C ATOM 1412 C ILE A 121 -3.553 1.706 6.536 1.00 0.00 C ATOM 1413 O ILE A 121 -3.691 2.822 6.041 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.761 0.295 4.495 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.654 -0.604 3.615 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.310 -0.224 4.514 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.720 -2.050 4.097 1.00 0.00 C ATOM 0 H ILE A 121 -6.003 1.311 5.166 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.054 -0.395 6.533 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.806 1.277 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.662 -0.190 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.278 -0.587 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.960 -0.364 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.671 0.500 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.271 -1.176 5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.365 -2.626 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.719 -2.481 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.124 -2.078 5.109 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.671 1.469 7.493 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.605 2.406 7.799 1.00 0.00 C ATOM 1431 C LEU A 122 -0.562 2.168 6.735 1.00 0.00 C ATOM 1432 O LEU A 122 0.008 1.077 6.660 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.973 2.097 9.159 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.776 2.619 10.346 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.701 4.147 10.486 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -3.239 2.184 10.335 1.00 0.00 C ATOM 0 H LEU A 122 -2.674 0.630 8.074 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.981 3.429 7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.857 1.018 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.027 2.530 9.191 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.298 2.161 11.212 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.291 4.463 11.347 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.663 4.449 10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.096 4.615 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.747 2.593 11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.721 2.553 9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.295 1.096 10.359 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.324 3.150 5.876 1.00 0.00 N ATOM 1449 CA ALA A 123 0.891 3.142 5.099 1.00 0.00 C ATOM 1450 C ALA A 123 2.082 3.378 6.021 1.00 0.00 C ATOM 1451 O ALA A 123 1.983 3.934 7.118 1.00 0.00 O ATOM 1452 CB ALA A 123 0.850 4.199 4.000 1.00 0.00 C ATOM 0 H ALA A 123 -0.945 3.942 5.707 1.00 0.00 H new ATOM 0 HA ALA A 123 0.991 2.170 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.779 4.169 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.010 3.999 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.731 5.185 4.448 1.00 0.00 H new ATOM 1458 N LYS A 124 3.236 2.988 5.503 1.00 0.00 N ATOM 1459 CA LYS A 124 4.547 3.318 6.043 1.00 0.00 C ATOM 1460 C LYS A 124 5.377 4.069 5.008 1.00 0.00 C ATOM 1461 O LYS A 124 6.219 4.863 5.410 1.00 0.00 O ATOM 1462 CB LYS A 124 5.191 2.065 6.675 1.00 0.00 C ATOM 1463 CG LYS A 124 6.017 1.172 5.730 1.00 0.00 C ATOM 1464 CD LYS A 124 7.478 1.634 5.627 1.00 0.00 C ATOM 1465 CE LYS A 124 8.365 1.176 6.797 1.00 0.00 C ATOM 1466 NZ LYS A 124 8.357 2.104 7.953 1.00 0.00 N ATOM 0 H LYS A 124 3.288 2.411 4.663 1.00 0.00 H new ATOM 0 HA LYS A 124 4.468 4.023 6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.836 2.387 7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.399 1.458 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.987 0.143 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.565 1.179 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.902 1.259 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.501 2.722 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.032 0.193 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.389 1.062 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.335 2.315 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.876 2.987 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.854 1.663 8.749 1.00 0.00 H new ATOM 1480 N GLU A 125 5.127 3.883 3.705 1.00 0.00 N ATOM 1481 CA GLU A 125 5.993 4.453 2.668 1.00 0.00 C ATOM 1482 C GLU A 125 5.267 5.026 1.453 1.00 0.00 C ATOM 1483 O GLU A 125 5.667 6.101 1.020 1.00 0.00 O ATOM 1484 CB GLU A 125 7.065 3.432 2.261 1.00 0.00 C ATOM 1485 CG GLU A 125 6.526 2.105 1.697 1.00 0.00 C ATOM 1486 CD GLU A 125 7.619 1.056 1.452 1.00 0.00 C ATOM 1487 OE1 GLU A 125 8.778 1.226 1.895 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.310 0.030 0.810 1.00 0.00 O ATOM 0 H GLU A 125 4.337 3.346 3.347 1.00 0.00 H new ATOM 0 HA GLU A 125 6.465 5.324 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.714 3.889 1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.685 3.214 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.790 1.697 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.006 2.302 0.760 1.00 0.00 H new ATOM 1495 N VAL A 126 4.222 4.358 0.939 1.00 0.00 N ATOM 1496 CA VAL A 126 3.507 4.688 -0.300 1.00 0.00 C ATOM 1497 C VAL A 126 4.441 4.671 -1.523 1.00 0.00 C ATOM 1498 O VAL A 126 5.491 5.313 -1.583 1.00 0.00 O ATOM 1499 CB VAL A 126 2.720 6.003 -0.122 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.953 6.456 -1.376 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.654 5.831 0.964 1.00 0.00 C ATOM 0 H VAL A 126 3.836 3.534 1.400 1.00 0.00 H new ATOM 0 HA VAL A 126 2.771 3.911 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 126 3.479 6.746 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.428 7.387 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.655 6.613 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.232 5.689 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.103 6.764 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.965 5.037 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.134 5.570 1.907 1.00 0.00 H new ATOM 1511 N LEU A 127 4.040 3.927 -2.553 1.00 0.00 N ATOM 1512 CA LEU A 127 4.750 3.855 -3.823 1.00 0.00 C ATOM 1513 C LEU A 127 3.730 3.946 -4.936 1.00 0.00 C ATOM 1514 O LEU A 127 2.574 3.598 -4.735 1.00 0.00 O ATOM 1515 CB LEU A 127 5.487 2.507 -3.943 1.00 0.00 C ATOM 1516 CG LEU A 127 6.729 2.371 -3.044 1.00 0.00 C ATOM 1517 CD1 LEU A 127 7.042 0.896 -2.786 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.929 3.032 -3.725 1.00 0.00 C ATOM 0 H LEU A 127 3.200 3.350 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 127 5.475 4.667 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.790 1.705 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.789 2.365 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 127 6.528 2.862 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.923 0.817 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.193 0.425 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.234 0.394 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.808 2.935 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.119 2.544 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.716 4.088 -3.892 1.00 0.00 H new ATOM 1530 N ALA A 128 4.137 4.341 -6.130 1.00 0.00 N ATOM 1531 CA ALA A 128 3.264 4.579 -7.274 1.00 0.00 C ATOM 1532 C ALA A 128 3.676 3.686 -8.445 1.00 0.00 C ATOM 1533 O ALA A 128 3.658 4.110 -9.598 1.00 0.00 O ATOM 1534 CB ALA A 128 3.300 6.068 -7.592 1.00 0.00 C ATOM 0 H ALA A 128 5.120 4.512 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 128 2.231 4.312 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.654 6.273 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.950 6.633 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.321 6.365 -7.830 1.00 0.00 H new ATOM 1540 N LYS A 129 4.087 2.448 -8.135 1.00 0.00 N ATOM 1541 CA LYS A 129 4.538 1.445 -9.098 1.00 0.00 C ATOM 1542 C LYS A 129 5.534 2.009 -10.105 1.00 0.00 C ATOM 1543 O LYS A 129 5.303 1.943 -11.307 1.00 0.00 O ATOM 1544 CB LYS A 129 3.314 0.782 -9.752 1.00 0.00 C ATOM 1545 CG LYS A 129 2.506 -0.062 -8.756 1.00 0.00 C ATOM 1546 CD LYS A 129 2.946 -1.530 -8.753 1.00 0.00 C ATOM 1547 CE LYS A 129 4.330 -1.828 -8.151 1.00 0.00 C ATOM 1548 NZ LYS A 129 5.258 -2.441 -9.125 1.00 0.00 N ATOM 0 H LYS A 129 4.114 2.110 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 129 5.096 0.672 -8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.671 1.552 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.643 0.150 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.620 0.352 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.447 -0.002 -9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 129 2.203 -2.108 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.935 -1.892 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 129 4.765 -0.902 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 129 4.214 -2.495 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 6.174 -2.620 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.860 -3.339 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 5.394 -1.795 -9.929 1.00 0.00 H new