USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 643 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 36 CYS SG : rot 180:sc= -1.65! USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 23 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0.048) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 50 SER OG : rot 110:sc=0.000609 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.4) USER MOD Single : A 67 THR OG1 : rot -29:sc= 0.0129 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 72 TYR OH : rot 166:sc= 0.617 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 175:sc= -0.828 (180deg=-0.869) USER MOD Single : A 80 TYR OH : rot 146:sc= 1.24 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 84 MET CE :methyl -166:sc= -1.87 (180deg=-2.14!) USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= -0.157 (180deg=-0.958) USER MOD Single : A 93 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.089 16.344 6.140 1.00 0.00 N ATOM 81 CA PHE A 9 11.405 15.086 5.865 1.00 0.00 C ATOM 82 C PHE A 9 10.017 15.071 6.498 1.00 0.00 C ATOM 83 O PHE A 9 9.831 15.535 7.623 1.00 0.00 O ATOM 84 CB PHE A 9 12.229 13.907 6.388 1.00 0.00 C ATOM 85 CG PHE A 9 11.399 12.708 6.748 1.00 0.00 C ATOM 86 CD1 PHE A 9 10.771 12.628 7.981 1.00 0.00 C ATOM 87 CD2 PHE A 9 11.246 11.662 5.853 1.00 0.00 C ATOM 88 CE1 PHE A 9 10.008 11.525 8.314 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.483 10.557 6.181 1.00 0.00 C ATOM 90 CZ PHE A 9 9.862 10.489 7.412 1.00 0.00 C ATOM 0 HA PHE A 9 11.293 14.992 4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 9 12.959 13.620 5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.790 14.227 7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.879 13.436 8.689 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.728 11.710 4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.526 11.473 9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.373 9.747 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.263 9.628 7.669 1.00 0.00 H new ATOM 100 N ASP A 10 9.045 14.537 5.767 1.00 0.00 N ATOM 101 CA ASP A 10 7.673 14.461 6.256 1.00 0.00 C ATOM 102 C ASP A 10 6.865 13.446 5.454 1.00 0.00 C ATOM 103 O ASP A 10 6.631 13.609 4.256 1.00 0.00 O ATOM 104 CB ASP A 10 7.006 15.835 6.182 1.00 0.00 C ATOM 105 CG ASP A 10 7.201 16.643 7.451 1.00 0.00 C ATOM 106 OD1 ASP A 10 6.989 16.085 8.548 1.00 0.00 O ATOM 107 OD2 ASP A 10 7.567 17.832 7.346 1.00 0.00 O ATOM 0 H ASP A 10 9.182 14.150 4.833 1.00 0.00 H new ATOM 0 HA ASP A 10 7.702 14.135 7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.414 16.388 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.940 15.708 5.996 1.00 0.00 H new ATOM 112 N PRO A 11 6.429 12.371 6.127 1.00 0.00 N ATOM 113 CA PRO A 11 5.641 11.308 5.496 1.00 0.00 C ATOM 114 C PRO A 11 4.235 11.769 5.128 1.00 0.00 C ATOM 115 O PRO A 11 3.577 11.167 4.279 1.00 0.00 O ATOM 116 CB PRO A 11 5.582 10.223 6.574 1.00 0.00 C ATOM 117 CG PRO A 11 5.757 10.956 7.860 1.00 0.00 C ATOM 118 CD PRO A 11 6.671 12.111 7.556 1.00 0.00 C ATOM 0 HA PRO A 11 6.085 10.974 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.631 9.691 6.548 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.367 9.480 6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.799 11.307 8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.187 10.308 8.623 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.436 12.982 8.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.714 11.859 7.748 1.00 0.00 H new ATOM 126 N SER A 12 3.781 12.841 5.770 1.00 0.00 N ATOM 127 CA SER A 12 2.452 13.381 5.511 1.00 0.00 C ATOM 128 C SER A 12 2.362 13.952 4.100 1.00 0.00 C ATOM 129 O SER A 12 1.317 13.881 3.453 1.00 0.00 O ATOM 130 CB SER A 12 2.111 14.465 6.535 1.00 0.00 C ATOM 131 OG SER A 12 1.632 13.896 7.741 1.00 0.00 O ATOM 0 H SER A 12 4.314 13.352 6.473 1.00 0.00 H new ATOM 0 HA SER A 12 1.733 12.567 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.996 15.067 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.358 15.136 6.122 1.00 0.00 H new ATOM 0 HG SER A 12 1.423 14.610 8.379 1.00 0.00 H new ATOM 137 N LYS A 13 3.467 14.518 3.626 1.00 0.00 N ATOM 138 CA LYS A 13 3.517 15.101 2.291 1.00 0.00 C ATOM 139 C LYS A 13 3.312 14.032 1.222 1.00 0.00 C ATOM 140 O LYS A 13 2.917 14.334 0.096 1.00 0.00 O ATOM 141 CB LYS A 13 4.856 15.808 2.070 1.00 0.00 C ATOM 142 CG LYS A 13 5.165 16.866 3.115 1.00 0.00 C ATOM 143 CD LYS A 13 4.306 18.105 2.925 1.00 0.00 C ATOM 144 CE LYS A 13 4.186 18.904 4.213 1.00 0.00 C ATOM 145 NZ LYS A 13 5.306 19.874 4.371 1.00 0.00 N ATOM 0 H LYS A 13 4.341 14.585 4.148 1.00 0.00 H new ATOM 0 HA LYS A 13 2.711 15.830 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.654 15.065 2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.853 16.273 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.997 16.455 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.218 17.140 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.738 18.732 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.313 17.812 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.237 19.441 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.173 18.222 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.188 20.399 5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.210 19.360 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.303 20.541 3.573 1.00 0.00 H new ATOM 159 N VAL A 14 3.582 12.782 1.583 1.00 0.00 N ATOM 160 CA VAL A 14 3.425 11.668 0.656 1.00 0.00 C ATOM 161 C VAL A 14 1.952 11.355 0.418 1.00 0.00 C ATOM 162 O VAL A 14 1.184 11.172 1.363 1.00 0.00 O ATOM 163 CB VAL A 14 4.130 10.401 1.177 1.00 0.00 C ATOM 164 CG1 VAL A 14 3.885 9.229 0.238 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.620 10.654 1.349 1.00 0.00 C ATOM 0 H VAL A 14 3.911 12.515 2.511 1.00 0.00 H new ATOM 0 HA VAL A 14 3.886 11.971 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 14 3.712 10.148 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.391 8.343 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.815 9.035 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.274 9.468 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.103 9.749 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.055 10.932 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.772 11.463 2.064 1.00 0.00 H new ATOM 175 N VAL A 15 1.564 11.293 -0.852 1.00 0.00 N ATOM 176 CA VAL A 15 0.182 11.001 -1.215 1.00 0.00 C ATOM 177 C VAL A 15 0.096 9.751 -2.084 1.00 0.00 C ATOM 178 O VAL A 15 0.516 9.757 -3.241 1.00 0.00 O ATOM 179 CB VAL A 15 -0.462 12.181 -1.967 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.868 11.820 -2.422 1.00 0.00 C ATOM 181 CG2 VAL A 15 -0.480 13.424 -1.090 1.00 0.00 C ATOM 0 H VAL A 15 2.187 11.441 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.362 10.833 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 15 0.137 12.396 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.307 12.665 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.825 10.958 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.480 11.578 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.938 14.248 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.055 13.223 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.541 13.692 -0.818 1.00 0.00 H new ATOM 191 N ALA A 16 -0.453 8.681 -1.519 1.00 0.00 N ATOM 192 CA ALA A 16 -0.597 7.424 -2.243 1.00 0.00 C ATOM 193 C ALA A 16 -2.027 7.238 -2.740 1.00 0.00 C ATOM 194 O ALA A 16 -2.985 7.492 -2.012 1.00 0.00 O ATOM 195 CB ALA A 16 -0.187 6.255 -1.359 1.00 0.00 C ATOM 0 H ALA A 16 -0.805 8.659 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 16 0.061 7.456 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.300 5.323 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.854 6.374 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.821 6.229 -0.473 1.00 0.00 H new ATOM 201 N SER A 17 -2.162 6.793 -3.986 1.00 0.00 N ATOM 202 CA SER A 17 -3.475 6.578 -4.582 1.00 0.00 C ATOM 203 C SER A 17 -3.448 5.392 -5.542 1.00 0.00 C ATOM 204 O SER A 17 -2.407 4.769 -5.747 1.00 0.00 O ATOM 205 CB SER A 17 -3.936 7.836 -5.321 1.00 0.00 C ATOM 206 OG SER A 17 -5.327 7.790 -5.585 1.00 0.00 O ATOM 0 H SER A 17 -1.378 6.575 -4.601 1.00 0.00 H new ATOM 0 HA SER A 17 -4.179 6.358 -3.779 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.705 8.718 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.388 7.933 -6.258 1.00 0.00 H new ATOM 0 HG SER A 17 -5.598 8.606 -6.056 1.00 0.00 H new ATOM 212 N GLY A 18 -4.602 5.085 -6.127 1.00 0.00 N ATOM 213 CA GLY A 18 -4.690 3.975 -7.058 1.00 0.00 C ATOM 214 C GLY A 18 -5.845 3.045 -6.743 1.00 0.00 C ATOM 215 O GLY A 18 -6.450 3.112 -5.673 1.00 0.00 O ATOM 0 H GLY A 18 -5.477 5.585 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.805 4.362 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.757 3.411 -7.036 1.00 0.00 H new ATOM 219 N PRO A 19 -6.166 2.154 -7.692 1.00 0.00 N ATOM 220 CA PRO A 19 -7.260 1.190 -7.534 1.00 0.00 C ATOM 221 C PRO A 19 -6.942 0.118 -6.497 1.00 0.00 C ATOM 222 O PRO A 19 -7.844 -0.452 -5.883 1.00 0.00 O ATOM 223 CB PRO A 19 -7.385 0.565 -8.926 1.00 0.00 C ATOM 224 CG PRO A 19 -6.037 0.728 -9.538 1.00 0.00 C ATOM 225 CD PRO A 19 -5.487 2.017 -8.992 1.00 0.00 C ATOM 0 HA PRO A 19 -8.175 1.666 -7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.667 -0.486 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.151 1.066 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.389 -0.111 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.104 0.762 -10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.404 1.975 -8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.706 2.858 -9.650 1.00 0.00 H new ATOM 233 N GLY A 20 -5.654 -0.151 -6.305 1.00 0.00 N ATOM 234 CA GLY A 20 -5.242 -1.154 -5.340 1.00 0.00 C ATOM 235 C GLY A 20 -5.622 -0.783 -3.921 1.00 0.00 C ATOM 236 O GLY A 20 -5.847 -1.657 -3.082 1.00 0.00 O ATOM 0 H GLY A 20 -4.889 0.307 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.698 -2.110 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.162 -1.290 -5.400 1.00 0.00 H new ATOM 240 N LEU A 21 -5.693 0.515 -3.649 1.00 0.00 N ATOM 241 CA LEU A 21 -6.048 1.000 -2.319 1.00 0.00 C ATOM 242 C LEU A 21 -7.562 1.053 -2.145 1.00 0.00 C ATOM 243 O LEU A 21 -8.061 1.499 -1.112 1.00 0.00 O ATOM 244 CB LEU A 21 -5.446 2.387 -2.084 1.00 0.00 C ATOM 245 CG LEU A 21 -4.033 2.416 -1.501 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.296 3.668 -1.949 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.081 2.337 0.018 1.00 0.00 C ATOM 0 H LEU A 21 -5.510 1.251 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.641 0.305 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.437 2.922 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.105 2.938 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.489 1.547 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.292 3.671 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.230 3.681 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.837 4.550 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.066 2.359 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.642 3.186 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.569 1.410 0.319 1.00 0.00 H new ATOM 259 N GLU A 22 -8.286 0.594 -3.160 1.00 0.00 N ATOM 260 CA GLU A 22 -9.744 0.588 -3.117 1.00 0.00 C ATOM 261 C GLU A 22 -10.283 -0.839 -3.141 1.00 0.00 C ATOM 262 O GLU A 22 -11.291 -1.144 -2.502 1.00 0.00 O ATOM 263 CB GLU A 22 -10.314 1.381 -4.296 1.00 0.00 C ATOM 264 CG GLU A 22 -9.669 2.744 -4.481 1.00 0.00 C ATOM 265 CD GLU A 22 -10.551 3.706 -5.253 1.00 0.00 C ATOM 266 OE1 GLU A 22 -11.003 3.341 -6.359 1.00 0.00 O ATOM 267 OE2 GLU A 22 -10.788 4.825 -4.751 1.00 0.00 O ATOM 0 H GLU A 22 -7.888 0.222 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.057 1.060 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.185 0.800 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.386 1.512 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.441 3.170 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.721 2.625 -5.006 1.00 0.00 H new ATOM 274 N HIS A 23 -9.606 -1.709 -3.884 1.00 0.00 N ATOM 275 CA HIS A 23 -10.017 -3.104 -3.992 1.00 0.00 C ATOM 276 C HIS A 23 -8.926 -3.942 -4.651 1.00 0.00 C ATOM 277 O HIS A 23 -8.001 -3.407 -5.260 1.00 0.00 O ATOM 278 CB HIS A 23 -11.315 -3.215 -4.792 1.00 0.00 C ATOM 279 CG HIS A 23 -11.142 -2.945 -6.255 1.00 0.00 C ATOM 280 ND1 HIS A 23 -11.725 -3.718 -7.237 1.00 0.00 N ATOM 281 CD2 HIS A 23 -10.447 -1.980 -6.901 1.00 0.00 C ATOM 282 CE1 HIS A 23 -11.395 -3.241 -8.424 1.00 0.00 C ATOM 283 NE2 HIS A 23 -10.620 -2.185 -8.248 1.00 0.00 N ATOM 0 H HIS A 23 -8.771 -1.473 -4.420 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.186 -3.486 -2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.728 -4.215 -4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.044 -2.514 -4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.865 -1.195 -6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.706 -3.645 -9.376 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.216 -1.615 -8.991 1.00 0.00 H new ATOM 292 N GLY A 24 -9.041 -5.261 -4.525 1.00 0.00 N ATOM 293 CA GLY A 24 -8.057 -6.151 -5.112 1.00 0.00 C ATOM 294 C GLY A 24 -8.643 -7.500 -5.481 1.00 0.00 C ATOM 295 O GLY A 24 -9.777 -7.813 -5.118 1.00 0.00 O ATOM 0 H GLY A 24 -9.798 -5.729 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.636 -5.685 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.236 -6.295 -4.409 1.00 0.00 H new ATOM 299 N LYS A 25 -7.869 -8.301 -6.205 1.00 0.00 N ATOM 300 CA LYS A 25 -8.317 -9.624 -6.624 1.00 0.00 C ATOM 301 C LYS A 25 -7.175 -10.633 -6.550 1.00 0.00 C ATOM 302 O LYS A 25 -6.052 -10.347 -6.965 1.00 0.00 O ATOM 303 CB LYS A 25 -8.872 -9.570 -8.049 1.00 0.00 C ATOM 304 CG LYS A 25 -9.890 -10.657 -8.347 1.00 0.00 C ATOM 305 CD LYS A 25 -10.241 -10.703 -9.825 1.00 0.00 C ATOM 306 CE LYS A 25 -11.654 -11.221 -10.046 1.00 0.00 C ATOM 307 NZ LYS A 25 -12.661 -10.126 -9.986 1.00 0.00 N ATOM 0 H LYS A 25 -6.928 -8.057 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.107 -9.945 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.334 -8.596 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.046 -9.654 -8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.493 -11.623 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.793 -10.481 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.147 -9.705 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.531 -11.343 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.712 -11.715 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.888 -11.972 -9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.611 -10.519 -10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.623 -9.670 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.453 -9.422 -10.723 1.00 0.00 H new ATOM 321 N VAL A 26 -7.470 -11.817 -6.021 1.00 0.00 N ATOM 322 CA VAL A 26 -6.469 -12.869 -5.896 1.00 0.00 C ATOM 323 C VAL A 26 -5.776 -13.130 -7.228 1.00 0.00 C ATOM 324 O VAL A 26 -6.387 -13.637 -8.168 1.00 0.00 O ATOM 325 CB VAL A 26 -7.095 -14.182 -5.389 1.00 0.00 C ATOM 326 CG1 VAL A 26 -6.089 -15.320 -5.470 1.00 0.00 C ATOM 327 CG2 VAL A 26 -7.609 -14.013 -3.967 1.00 0.00 C ATOM 0 H VAL A 26 -8.394 -12.071 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.734 -12.522 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.941 -14.432 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.549 -16.239 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.775 -15.455 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.221 -15.082 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.048 -14.950 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.782 -13.739 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.365 -13.229 -3.944 1.00 0.00 H new ATOM 337 N GLY A 27 -4.496 -12.780 -7.302 1.00 0.00 N ATOM 338 CA GLY A 27 -3.740 -12.985 -8.524 1.00 0.00 C ATOM 339 C GLY A 27 -3.515 -11.696 -9.289 1.00 0.00 C ATOM 340 O GLY A 27 -2.536 -11.566 -10.023 1.00 0.00 O ATOM 0 H GLY A 27 -3.969 -12.358 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.776 -13.433 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.269 -13.694 -9.161 1.00 0.00 H new ATOM 344 N GLU A 28 -4.423 -10.741 -9.117 1.00 0.00 N ATOM 345 CA GLU A 28 -4.319 -9.457 -9.800 1.00 0.00 C ATOM 346 C GLU A 28 -3.217 -8.600 -9.183 1.00 0.00 C ATOM 347 O GLU A 28 -2.521 -9.033 -8.265 1.00 0.00 O ATOM 348 CB GLU A 28 -5.654 -8.711 -9.738 1.00 0.00 C ATOM 349 CG GLU A 28 -6.599 -9.061 -10.876 1.00 0.00 C ATOM 350 CD GLU A 28 -6.286 -8.299 -12.149 1.00 0.00 C ATOM 351 OE1 GLU A 28 -5.227 -8.564 -12.754 1.00 0.00 O ATOM 352 OE2 GLU A 28 -7.101 -7.437 -12.540 1.00 0.00 O ATOM 0 H GLU A 28 -5.238 -10.832 -8.511 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.066 -9.649 -10.843 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.142 -8.935 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.462 -7.638 -9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.542 -10.131 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.624 -8.847 -10.571 1.00 0.00 H new ATOM 359 N ALA A 29 -3.065 -7.383 -9.695 1.00 0.00 N ATOM 360 CA ALA A 29 -2.050 -6.465 -9.194 1.00 0.00 C ATOM 361 C ALA A 29 -2.666 -5.126 -8.803 1.00 0.00 C ATOM 362 O ALA A 29 -3.283 -4.451 -9.626 1.00 0.00 O ATOM 363 CB ALA A 29 -0.961 -6.263 -10.237 1.00 0.00 C ATOM 0 H ALA A 29 -3.632 -7.010 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.606 -6.905 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.209 -5.575 -9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.493 -7.221 -10.465 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.399 -5.848 -11.145 1.00 0.00 H new ATOM 369 N GLY A 30 -2.494 -4.746 -7.540 1.00 0.00 N ATOM 370 CA GLY A 30 -3.039 -3.489 -7.063 1.00 0.00 C ATOM 371 C GLY A 30 -2.184 -2.300 -7.455 1.00 0.00 C ATOM 372 O GLY A 30 -1.152 -2.037 -6.836 1.00 0.00 O ATOM 0 H GLY A 30 -1.987 -5.287 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.044 -3.357 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.130 -3.525 -5.977 1.00 0.00 H new ATOM 376 N LEU A 31 -2.613 -1.580 -8.486 1.00 0.00 N ATOM 377 CA LEU A 31 -1.878 -0.413 -8.961 1.00 0.00 C ATOM 378 C LEU A 31 -1.838 0.677 -7.894 1.00 0.00 C ATOM 379 O LEU A 31 -2.878 1.168 -7.454 1.00 0.00 O ATOM 380 CB LEU A 31 -2.519 0.132 -10.239 1.00 0.00 C ATOM 381 CG LEU A 31 -2.671 -0.863 -11.390 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.518 -0.266 -12.503 1.00 0.00 C ATOM 383 CD2 LEU A 31 -1.306 -1.278 -11.920 1.00 0.00 C ATOM 0 H LEU A 31 -3.465 -1.784 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.855 -0.722 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.506 0.522 -9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.923 0.975 -10.590 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.177 -1.751 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.615 -0.988 -13.314 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.507 -0.020 -12.116 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.040 0.639 -12.879 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.434 -1.986 -12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.773 -0.398 -12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.732 -1.747 -11.120 1.00 0.00 H new ATOM 395 N LEU A 32 -0.631 1.051 -7.484 1.00 0.00 N ATOM 396 CA LEU A 32 -0.455 2.085 -6.470 1.00 0.00 C ATOM 397 C LEU A 32 0.577 3.116 -6.918 1.00 0.00 C ATOM 398 O LEU A 32 1.638 2.764 -7.432 1.00 0.00 O ATOM 399 CB LEU A 32 -0.023 1.458 -5.143 1.00 0.00 C ATOM 400 CG LEU A 32 -0.957 0.392 -4.570 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.422 -0.130 -3.246 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.362 0.951 -4.396 1.00 0.00 C ATOM 0 H LEU A 32 0.240 0.654 -7.838 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.411 2.590 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.963 1.014 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.084 2.254 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.003 -0.439 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.100 -0.888 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.564 -0.569 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.346 0.692 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.013 0.178 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.334 1.800 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.747 1.275 -5.363 1.00 0.00 H new ATOM 414 N SER A 33 0.258 4.391 -6.716 1.00 0.00 N ATOM 415 CA SER A 33 1.156 5.473 -7.100 1.00 0.00 C ATOM 416 C SER A 33 1.516 6.334 -5.893 1.00 0.00 C ATOM 417 O SER A 33 0.665 6.640 -5.058 1.00 0.00 O ATOM 418 CB SER A 33 0.511 6.339 -8.184 1.00 0.00 C ATOM 419 OG SER A 33 -0.863 6.556 -7.913 1.00 0.00 O ATOM 0 H SER A 33 -0.615 4.699 -6.289 1.00 0.00 H new ATOM 0 HA SER A 33 2.071 5.030 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.029 7.296 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.621 5.855 -9.154 1.00 0.00 H new ATOM 0 HG SER A 33 -1.252 7.113 -8.619 1.00 0.00 H new ATOM 425 N VAL A 34 2.785 6.722 -5.808 1.00 0.00 N ATOM 426 CA VAL A 34 3.259 7.549 -4.705 1.00 0.00 C ATOM 427 C VAL A 34 3.864 8.852 -5.215 1.00 0.00 C ATOM 428 O VAL A 34 4.864 8.845 -5.932 1.00 0.00 O ATOM 429 CB VAL A 34 4.310 6.805 -3.858 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.853 7.712 -2.764 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.714 5.538 -3.264 1.00 0.00 C ATOM 0 H VAL A 34 3.503 6.477 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 34 2.393 7.773 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 34 5.139 6.521 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.594 7.170 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.319 8.588 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.036 8.029 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.469 5.025 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.867 5.797 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.378 4.883 -4.068 1.00 0.00 H new ATOM 441 N ASP A 35 3.250 9.969 -4.840 1.00 0.00 N ATOM 442 CA ASP A 35 3.728 11.282 -5.258 1.00 0.00 C ATOM 443 C ASP A 35 4.437 11.993 -4.110 1.00 0.00 C ATOM 444 O ASP A 35 3.808 12.380 -3.124 1.00 0.00 O ATOM 445 CB ASP A 35 2.563 12.135 -5.762 1.00 0.00 C ATOM 446 CG ASP A 35 2.993 13.137 -6.816 1.00 0.00 C ATOM 447 OD1 ASP A 35 4.127 13.652 -6.718 1.00 0.00 O ATOM 448 OD2 ASP A 35 2.197 13.405 -7.739 1.00 0.00 O ATOM 0 H ASP A 35 2.420 9.991 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 35 4.442 11.141 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.793 11.485 -6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.115 12.665 -4.922 1.00 0.00 H new ATOM 453 N CYS A 36 5.748 12.160 -4.244 1.00 0.00 N ATOM 454 CA CYS A 36 6.543 12.824 -3.217 1.00 0.00 C ATOM 455 C CYS A 36 6.902 14.244 -3.639 1.00 0.00 C ATOM 456 O CYS A 36 7.652 14.448 -4.594 1.00 0.00 O ATOM 457 CB CYS A 36 7.817 12.026 -2.934 1.00 0.00 C ATOM 458 SG CYS A 36 9.109 12.971 -2.094 1.00 0.00 S ATOM 0 H CYS A 36 6.283 11.845 -5.053 1.00 0.00 H new ATOM 0 HA CYS A 36 5.945 12.876 -2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.562 11.159 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.213 11.648 -3.877 1.00 0.00 H new ATOM 0 HG CYS A 36 10.145 12.210 -1.897 1.00 0.00 H new ATOM 464 N SER A 37 6.360 15.224 -2.923 1.00 0.00 N ATOM 465 CA SER A 37 6.618 16.627 -3.227 1.00 0.00 C ATOM 466 C SER A 37 7.590 17.231 -2.219 1.00 0.00 C ATOM 467 O SER A 37 8.707 17.611 -2.569 1.00 0.00 O ATOM 468 CB SER A 37 5.310 17.419 -3.229 1.00 0.00 C ATOM 469 OG SER A 37 4.574 17.193 -2.039 1.00 0.00 O ATOM 0 H SER A 37 5.739 15.072 -2.128 1.00 0.00 H new ATOM 0 HA SER A 37 7.069 16.682 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.526 18.483 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.709 17.132 -4.092 1.00 0.00 H new ATOM 0 HG SER A 37 3.743 17.712 -2.065 1.00 0.00 H new ATOM 475 N GLU A 38 7.156 17.316 -0.966 1.00 0.00 N ATOM 476 CA GLU A 38 7.988 17.875 0.094 1.00 0.00 C ATOM 477 C GLU A 38 8.213 16.854 1.205 1.00 0.00 C ATOM 478 O GLU A 38 8.461 17.217 2.355 1.00 0.00 O ATOM 479 CB GLU A 38 7.341 19.137 0.669 1.00 0.00 C ATOM 480 CG GLU A 38 7.690 20.403 -0.096 1.00 0.00 C ATOM 481 CD GLU A 38 9.183 20.661 -0.146 1.00 0.00 C ATOM 482 OE1 GLU A 38 9.738 21.128 0.871 1.00 0.00 O ATOM 483 OE2 GLU A 38 9.797 20.397 -1.201 1.00 0.00 O ATOM 0 H GLU A 38 6.234 17.005 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 38 8.955 18.135 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.258 19.011 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.651 19.253 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.304 20.327 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.193 21.254 0.371 1.00 0.00 H new ATOM 490 N ALA A 39 8.123 15.576 0.853 1.00 0.00 N ATOM 491 CA ALA A 39 8.318 14.502 1.819 1.00 0.00 C ATOM 492 C ALA A 39 9.785 14.381 2.218 1.00 0.00 C ATOM 493 O ALA A 39 10.131 13.630 3.128 1.00 0.00 O ATOM 494 CB ALA A 39 7.813 13.184 1.252 1.00 0.00 C ATOM 0 H ALA A 39 7.916 15.259 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 39 7.744 14.744 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.965 12.391 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.750 13.269 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.361 12.946 0.340 1.00 0.00 H new ATOM 500 N GLY A 40 10.644 15.126 1.528 1.00 0.00 N ATOM 501 CA GLY A 40 12.064 15.086 1.825 1.00 0.00 C ATOM 502 C GLY A 40 12.680 13.733 1.532 1.00 0.00 C ATOM 503 O GLY A 40 12.162 12.951 0.735 1.00 0.00 O ATOM 0 H GLY A 40 10.382 15.756 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.576 15.849 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.219 15.333 2.875 1.00 0.00 H new ATOM 507 N PRO A 41 13.813 13.440 2.187 1.00 0.00 N ATOM 508 CA PRO A 41 14.526 12.171 2.008 1.00 0.00 C ATOM 509 C PRO A 41 13.764 10.990 2.600 1.00 0.00 C ATOM 510 O PRO A 41 12.589 11.108 2.946 1.00 0.00 O ATOM 511 CB PRO A 41 15.839 12.393 2.763 1.00 0.00 C ATOM 512 CG PRO A 41 15.520 13.432 3.781 1.00 0.00 C ATOM 513 CD PRO A 41 14.487 14.325 3.152 1.00 0.00 C ATOM 0 HA PRO A 41 14.660 11.923 0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.186 11.473 3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.630 12.727 2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.138 12.978 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.411 13.998 4.054 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.790 14.717 3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.944 15.183 2.659 1.00 0.00 H new ATOM 521 N GLY A 42 14.441 9.852 2.713 1.00 0.00 N ATOM 522 CA GLY A 42 13.812 8.666 3.263 1.00 0.00 C ATOM 523 C GLY A 42 13.377 7.689 2.189 1.00 0.00 C ATOM 524 O GLY A 42 12.946 8.094 1.110 1.00 0.00 O ATOM 0 H GLY A 42 15.414 9.730 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.508 8.171 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.945 8.960 3.855 1.00 0.00 H new ATOM 528 N ALA A 43 13.491 6.398 2.485 1.00 0.00 N ATOM 529 CA ALA A 43 13.106 5.360 1.536 1.00 0.00 C ATOM 530 C ALA A 43 11.632 4.998 1.687 1.00 0.00 C ATOM 531 O ALA A 43 11.048 5.166 2.758 1.00 0.00 O ATOM 532 CB ALA A 43 13.976 4.126 1.721 1.00 0.00 C ATOM 0 H ALA A 43 13.847 6.046 3.374 1.00 0.00 H new ATOM 0 HA ALA A 43 13.257 5.749 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.677 3.360 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.021 4.389 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.854 3.744 2.735 1.00 0.00 H new ATOM 538 N LEU A 44 11.037 4.502 0.608 1.00 0.00 N ATOM 539 CA LEU A 44 9.630 4.116 0.620 1.00 0.00 C ATOM 540 C LEU A 44 9.482 2.598 0.649 1.00 0.00 C ATOM 541 O LEU A 44 10.142 1.885 -0.106 1.00 0.00 O ATOM 542 CB LEU A 44 8.914 4.687 -0.605 1.00 0.00 C ATOM 543 CG LEU A 44 7.614 3.990 -1.008 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.565 4.144 0.083 1.00 0.00 C ATOM 545 CD2 LEU A 44 7.098 4.544 -2.328 1.00 0.00 C ATOM 0 H LEU A 44 11.506 4.358 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 44 9.174 4.524 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.696 5.738 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.600 4.651 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 44 7.820 2.928 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.647 3.642 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.933 3.698 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.362 5.203 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.172 4.036 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.909 5.613 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.843 4.381 -3.107 1.00 0.00 H new ATOM 557 N GLY A 45 8.608 2.110 1.525 1.00 0.00 N ATOM 558 CA GLY A 45 8.387 0.680 1.634 1.00 0.00 C ATOM 559 C GLY A 45 6.986 0.344 2.106 1.00 0.00 C ATOM 560 O GLY A 45 6.510 0.893 3.101 1.00 0.00 O ATOM 0 H GLY A 45 8.050 2.680 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.562 0.214 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.112 0.255 2.328 1.00 0.00 H new ATOM 564 N LEU A 46 6.323 -0.558 1.392 1.00 0.00 N ATOM 565 CA LEU A 46 4.967 -0.966 1.742 1.00 0.00 C ATOM 566 C LEU A 46 4.916 -2.452 2.083 1.00 0.00 C ATOM 567 O LEU A 46 5.661 -3.253 1.519 1.00 0.00 O ATOM 568 CB LEU A 46 4.008 -0.661 0.590 1.00 0.00 C ATOM 569 CG LEU A 46 2.610 -1.271 0.702 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.710 -0.389 1.554 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.006 -1.476 -0.680 1.00 0.00 C ATOM 0 H LEU A 46 6.702 -1.021 0.566 1.00 0.00 H new ATOM 0 HA LEU A 46 4.659 -0.400 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.905 0.421 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.462 -1.011 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 46 2.696 -2.243 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.719 -0.839 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.135 -0.293 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.630 0.598 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.011 -1.911 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.933 -0.516 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.640 -2.148 -1.258 1.00 0.00 H new ATOM 583 N GLU A 47 4.031 -2.812 3.007 1.00 0.00 N ATOM 584 CA GLU A 47 3.882 -4.203 3.420 1.00 0.00 C ATOM 585 C GLU A 47 2.421 -4.639 3.347 1.00 0.00 C ATOM 586 O GLU A 47 1.572 -4.127 4.076 1.00 0.00 O ATOM 587 CB GLU A 47 4.412 -4.394 4.843 1.00 0.00 C ATOM 588 CG GLU A 47 4.474 -5.849 5.278 1.00 0.00 C ATOM 589 CD GLU A 47 5.791 -6.510 4.919 1.00 0.00 C ATOM 590 OE1 GLU A 47 5.941 -6.941 3.757 1.00 0.00 O ATOM 591 OE2 GLU A 47 6.671 -6.595 5.801 1.00 0.00 O ATOM 0 H GLU A 47 3.407 -2.161 3.483 1.00 0.00 H new ATOM 0 HA GLU A 47 4.462 -4.823 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.409 -3.960 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.776 -3.843 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.324 -5.909 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.657 -6.399 4.811 1.00 0.00 H new ATOM 598 N ALA A 48 2.137 -5.588 2.461 1.00 0.00 N ATOM 599 CA ALA A 48 0.781 -6.094 2.293 1.00 0.00 C ATOM 600 C ALA A 48 0.644 -7.499 2.870 1.00 0.00 C ATOM 601 O ALA A 48 1.314 -8.431 2.426 1.00 0.00 O ATOM 602 CB ALA A 48 0.393 -6.086 0.821 1.00 0.00 C ATOM 0 H ALA A 48 2.828 -6.022 1.849 1.00 0.00 H new ATOM 0 HA ALA A 48 0.104 -5.437 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.622 -6.467 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.442 -5.067 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.081 -6.719 0.260 1.00 0.00 H new ATOM 608 N VAL A 49 -0.229 -7.644 3.862 1.00 0.00 N ATOM 609 CA VAL A 49 -0.454 -8.935 4.500 1.00 0.00 C ATOM 610 C VAL A 49 -1.935 -9.157 4.784 1.00 0.00 C ATOM 611 O VAL A 49 -2.610 -8.285 5.333 1.00 0.00 O ATOM 612 CB VAL A 49 0.334 -9.056 5.817 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.180 -10.225 6.643 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.822 -9.205 5.536 1.00 0.00 C ATOM 0 H VAL A 49 -0.792 -6.883 4.241 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.102 -9.697 3.804 1.00 0.00 H new ATOM 0 HB VAL A 49 0.186 -8.143 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.390 -10.294 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.234 -10.071 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.065 -11.149 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.364 -9.289 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.992 -10.101 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.178 -8.332 4.990 1.00 0.00 H new ATOM 624 N SER A 50 -2.436 -10.330 4.408 1.00 0.00 N ATOM 625 CA SER A 50 -3.839 -10.665 4.620 1.00 0.00 C ATOM 626 C SER A 50 -4.076 -11.126 6.055 1.00 0.00 C ATOM 627 O SER A 50 -3.131 -11.394 6.797 1.00 0.00 O ATOM 628 CB SER A 50 -4.277 -11.757 3.642 1.00 0.00 C ATOM 629 OG SER A 50 -5.676 -11.710 3.419 1.00 0.00 O ATOM 0 H SER A 50 -1.891 -11.064 3.955 1.00 0.00 H new ATOM 0 HA SER A 50 -4.433 -9.768 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.750 -11.635 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.001 -12.735 4.036 1.00 0.00 H new ATOM 0 HG SER A 50 -5.852 -11.394 2.508 1.00 0.00 H new ATOM 635 N ASP A 51 -5.345 -11.216 6.438 1.00 0.00 N ATOM 636 CA ASP A 51 -5.709 -11.646 7.784 1.00 0.00 C ATOM 637 C ASP A 51 -5.131 -13.024 8.089 1.00 0.00 C ATOM 638 O ASP A 51 -5.021 -13.419 9.249 1.00 0.00 O ATOM 639 CB ASP A 51 -7.230 -11.670 7.940 1.00 0.00 C ATOM 640 CG ASP A 51 -7.855 -10.304 7.736 1.00 0.00 C ATOM 641 OD1 ASP A 51 -7.167 -9.293 7.988 1.00 0.00 O ATOM 642 OD2 ASP A 51 -9.033 -10.246 7.325 1.00 0.00 O ATOM 0 H ASP A 51 -6.139 -10.997 5.836 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.290 -10.932 8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.655 -12.371 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.485 -12.038 8.934 1.00 0.00 H new ATOM 647 N SER A 52 -4.766 -13.753 7.038 1.00 0.00 N ATOM 648 CA SER A 52 -4.205 -15.090 7.194 1.00 0.00 C ATOM 649 C SER A 52 -2.759 -15.019 7.676 1.00 0.00 C ATOM 650 O SER A 52 -2.197 -16.012 8.136 1.00 0.00 O ATOM 651 CB SER A 52 -4.276 -15.853 5.869 1.00 0.00 C ATOM 652 OG SER A 52 -5.497 -16.562 5.755 1.00 0.00 O ATOM 0 H SER A 52 -4.849 -13.440 6.071 1.00 0.00 H new ATOM 0 HA SER A 52 -4.794 -15.620 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.178 -15.155 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.440 -16.549 5.801 1.00 0.00 H new ATOM 0 HG SER A 52 -5.519 -17.040 4.900 1.00 0.00 H new ATOM 658 N GLY A 53 -2.162 -13.836 7.566 1.00 0.00 N ATOM 659 CA GLY A 53 -0.787 -13.656 7.994 1.00 0.00 C ATOM 660 C GLY A 53 0.204 -13.868 6.866 1.00 0.00 C ATOM 661 O GLY A 53 1.416 -13.794 7.072 1.00 0.00 O ATOM 0 H GLY A 53 -2.606 -12.999 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.664 -12.651 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.567 -14.353 8.803 1.00 0.00 H new ATOM 665 N THR A 54 -0.311 -14.135 5.670 1.00 0.00 N ATOM 666 CA THR A 54 0.536 -14.361 4.506 1.00 0.00 C ATOM 667 C THR A 54 0.759 -13.069 3.728 1.00 0.00 C ATOM 668 O THR A 54 -0.165 -12.535 3.115 1.00 0.00 O ATOM 669 CB THR A 54 -0.074 -15.416 3.564 1.00 0.00 C ATOM 670 OG1 THR A 54 -0.434 -16.586 4.306 1.00 0.00 O ATOM 671 CG2 THR A 54 0.906 -15.789 2.462 1.00 0.00 C ATOM 0 H THR A 54 -1.311 -14.200 5.482 1.00 0.00 H new ATOM 0 HA THR A 54 1.493 -14.727 4.878 1.00 0.00 H new ATOM 0 HB THR A 54 -0.966 -14.989 3.105 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.823 -17.251 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.453 -16.535 1.809 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.155 -14.901 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.814 -16.198 2.906 1.00 0.00 H new ATOM 679 N LYS A 55 1.990 -12.572 3.757 1.00 0.00 N ATOM 680 CA LYS A 55 2.336 -11.343 3.053 1.00 0.00 C ATOM 681 C LYS A 55 2.305 -11.554 1.543 1.00 0.00 C ATOM 682 O LYS A 55 2.799 -12.561 1.037 1.00 0.00 O ATOM 683 CB LYS A 55 3.722 -10.857 3.483 1.00 0.00 C ATOM 684 CG LYS A 55 4.812 -11.902 3.313 1.00 0.00 C ATOM 685 CD LYS A 55 5.467 -11.808 1.945 1.00 0.00 C ATOM 686 CE LYS A 55 6.068 -13.139 1.521 1.00 0.00 C ATOM 687 NZ LYS A 55 6.188 -13.248 0.041 1.00 0.00 N ATOM 0 H LYS A 55 2.766 -13.002 4.261 1.00 0.00 H new ATOM 0 HA LYS A 55 1.596 -10.585 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.984 -9.973 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.683 -10.552 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.567 -11.771 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.387 -12.897 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.729 -11.490 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.246 -11.046 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.053 -13.254 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.448 -13.953 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.602 -14.169 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.246 -13.164 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.801 -12.487 -0.315 1.00 0.00 H new ATOM 701 N ALA A 56 1.723 -10.597 0.828 1.00 0.00 N ATOM 702 CA ALA A 56 1.631 -10.676 -0.625 1.00 0.00 C ATOM 703 C ALA A 56 2.947 -10.272 -1.281 1.00 0.00 C ATOM 704 O ALA A 56 3.903 -9.906 -0.599 1.00 0.00 O ATOM 705 CB ALA A 56 0.495 -9.800 -1.131 1.00 0.00 C ATOM 0 H ALA A 56 1.308 -9.757 1.232 1.00 0.00 H new ATOM 0 HA ALA A 56 1.424 -11.711 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.438 -9.869 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.446 -10.137 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.677 -8.765 -0.842 1.00 0.00 H new ATOM 711 N GLU A 57 2.987 -10.341 -2.608 1.00 0.00 N ATOM 712 CA GLU A 57 4.186 -9.982 -3.355 1.00 0.00 C ATOM 713 C GLU A 57 4.152 -8.514 -3.768 1.00 0.00 C ATOM 714 O GLU A 57 3.325 -8.106 -4.584 1.00 0.00 O ATOM 715 CB GLU A 57 4.326 -10.869 -4.594 1.00 0.00 C ATOM 716 CG GLU A 57 5.266 -10.302 -5.645 1.00 0.00 C ATOM 717 CD GLU A 57 5.941 -11.382 -6.468 1.00 0.00 C ATOM 718 OE1 GLU A 57 5.359 -11.798 -7.492 1.00 0.00 O ATOM 719 OE2 GLU A 57 7.050 -11.812 -6.088 1.00 0.00 O ATOM 0 H GLU A 57 2.203 -10.642 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 57 5.047 -10.138 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.686 -11.851 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.342 -11.015 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.707 -9.641 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.027 -9.694 -5.156 1.00 0.00 H new ATOM 726 N VAL A 58 5.055 -7.723 -3.198 1.00 0.00 N ATOM 727 CA VAL A 58 5.130 -6.300 -3.506 1.00 0.00 C ATOM 728 C VAL A 58 6.442 -5.956 -4.202 1.00 0.00 C ATOM 729 O VAL A 58 7.494 -6.501 -3.870 1.00 0.00 O ATOM 730 CB VAL A 58 4.997 -5.442 -2.233 1.00 0.00 C ATOM 731 CG1 VAL A 58 5.128 -3.965 -2.569 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.674 -5.724 -1.537 1.00 0.00 C ATOM 0 H VAL A 58 5.746 -8.044 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 58 4.298 -6.077 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 58 5.804 -5.707 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.031 -3.375 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.103 -3.780 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.344 -3.680 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.597 -5.110 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.851 -5.487 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.626 -6.777 -1.261 1.00 0.00 H new ATOM 742 N SER A 59 6.371 -5.048 -5.170 1.00 0.00 N ATOM 743 CA SER A 59 7.553 -4.633 -5.917 1.00 0.00 C ATOM 744 C SER A 59 7.490 -3.146 -6.251 1.00 0.00 C ATOM 745 O SER A 59 6.707 -2.722 -7.102 1.00 0.00 O ATOM 746 CB SER A 59 7.683 -5.451 -7.203 1.00 0.00 C ATOM 747 OG SER A 59 8.867 -5.114 -7.905 1.00 0.00 O ATOM 0 H SER A 59 5.508 -4.586 -5.455 1.00 0.00 H new ATOM 0 HA SER A 59 8.428 -4.811 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.689 -6.514 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.816 -5.274 -7.840 1.00 0.00 H new ATOM 0 HG SER A 59 8.927 -5.652 -8.722 1.00 0.00 H new ATOM 753 N ILE A 60 8.320 -2.358 -5.576 1.00 0.00 N ATOM 754 CA ILE A 60 8.360 -0.919 -5.801 1.00 0.00 C ATOM 755 C ILE A 60 9.355 -0.562 -6.901 1.00 0.00 C ATOM 756 O ILE A 60 10.495 -1.026 -6.894 1.00 0.00 O ATOM 757 CB ILE A 60 8.738 -0.158 -4.517 1.00 0.00 C ATOM 758 CG1 ILE A 60 7.767 -0.507 -3.387 1.00 0.00 C ATOM 759 CG2 ILE A 60 8.744 1.342 -4.772 1.00 0.00 C ATOM 760 CD1 ILE A 60 8.290 -0.158 -2.011 1.00 0.00 C ATOM 0 H ILE A 60 8.974 -2.692 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 60 7.358 -0.620 -6.109 1.00 0.00 H new ATOM 0 HB ILE A 60 9.741 -0.460 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.826 0.017 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.548 -1.574 -3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.013 1.866 -3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.471 1.576 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.753 1.660 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.550 -0.433 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.216 -0.703 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.482 0.914 -1.956 1.00 0.00 H new ATOM 772 N GLN A 61 8.915 0.266 -7.843 1.00 0.00 N ATOM 773 CA GLN A 61 9.767 0.685 -8.949 1.00 0.00 C ATOM 774 C GLN A 61 10.212 2.134 -8.774 1.00 0.00 C ATOM 775 O GLN A 61 9.592 3.052 -9.308 1.00 0.00 O ATOM 776 CB GLN A 61 9.030 0.523 -10.279 1.00 0.00 C ATOM 777 CG GLN A 61 9.951 0.242 -11.455 1.00 0.00 C ATOM 778 CD GLN A 61 10.373 -1.212 -11.532 1.00 0.00 C ATOM 779 OE1 GLN A 61 9.950 -2.036 -10.721 1.00 0.00 O ATOM 780 NE2 GLN A 61 11.210 -1.535 -12.510 1.00 0.00 N ATOM 0 H GLN A 61 7.974 0.660 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 61 10.652 0.049 -8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.311 -0.291 -10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.461 1.430 -10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.447 0.519 -12.381 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.838 0.870 -11.375 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.535 -0.819 -13.160 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.528 -2.499 -12.612 1.00 0.00 H new ATOM 858 N THR A 67 7.017 10.065 -9.795 1.00 0.00 N ATOM 859 CA THR A 67 6.383 9.263 -8.756 1.00 0.00 C ATOM 860 C THR A 67 6.914 7.834 -8.764 1.00 0.00 C ATOM 861 O THR A 67 7.792 7.492 -9.556 1.00 0.00 O ATOM 862 CB THR A 67 4.852 9.231 -8.927 1.00 0.00 C ATOM 863 OG1 THR A 67 4.510 8.562 -10.147 1.00 0.00 O ATOM 864 CG2 THR A 67 4.279 10.640 -8.938 1.00 0.00 C ATOM 0 HA THR A 67 6.625 9.732 -7.802 1.00 0.00 H new ATOM 0 HB THR A 67 4.425 8.689 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.233 8.680 -10.798 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.197 10.592 -9.060 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.516 11.137 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.712 11.203 -9.765 1.00 0.00 H new ATOM 872 N TYR A 68 6.376 7.003 -7.878 1.00 0.00 N ATOM 873 CA TYR A 68 6.797 5.611 -7.781 1.00 0.00 C ATOM 874 C TYR A 68 5.667 4.670 -8.189 1.00 0.00 C ATOM 875 O TYR A 68 4.492 4.962 -7.969 1.00 0.00 O ATOM 876 CB TYR A 68 7.253 5.292 -6.357 1.00 0.00 C ATOM 877 CG TYR A 68 8.487 6.054 -5.930 1.00 0.00 C ATOM 878 CD1 TYR A 68 8.489 7.443 -5.887 1.00 0.00 C ATOM 879 CD2 TYR A 68 9.650 5.386 -5.569 1.00 0.00 C ATOM 880 CE1 TYR A 68 9.614 8.144 -5.499 1.00 0.00 C ATOM 881 CE2 TYR A 68 10.780 6.079 -5.178 1.00 0.00 C ATOM 882 CZ TYR A 68 10.757 7.457 -5.145 1.00 0.00 C ATOM 883 OH TYR A 68 11.880 8.152 -4.757 1.00 0.00 O ATOM 0 H TYR A 68 5.647 7.270 -7.216 1.00 0.00 H new ATOM 0 HA TYR A 68 7.633 5.463 -8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.441 5.516 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.452 4.223 -6.279 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.595 7.984 -6.162 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.672 4.307 -5.594 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.599 9.224 -5.473 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.676 5.544 -4.900 1.00 0.00 H new ATOM 0 HH TYR A 68 12.597 7.520 -4.540 1.00 0.00 H new ATOM 893 N ALA A 69 6.033 3.539 -8.783 1.00 0.00 N ATOM 894 CA ALA A 69 5.052 2.553 -9.219 1.00 0.00 C ATOM 895 C ALA A 69 5.052 1.336 -8.301 1.00 0.00 C ATOM 896 O ALA A 69 5.909 0.459 -8.416 1.00 0.00 O ATOM 897 CB ALA A 69 5.328 2.134 -10.655 1.00 0.00 C ATOM 0 H ALA A 69 7.002 3.283 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 69 4.065 3.012 -9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.588 1.397 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.269 3.006 -11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.325 1.698 -10.722 1.00 0.00 H new ATOM 903 N VAL A 70 4.085 1.288 -7.390 1.00 0.00 N ATOM 904 CA VAL A 70 3.974 0.177 -6.452 1.00 0.00 C ATOM 905 C VAL A 70 2.821 -0.747 -6.829 1.00 0.00 C ATOM 906 O VAL A 70 1.781 -0.297 -7.310 1.00 0.00 O ATOM 907 CB VAL A 70 3.764 0.678 -5.011 1.00 0.00 C ATOM 908 CG1 VAL A 70 3.322 -0.463 -4.107 1.00 0.00 C ATOM 909 CG2 VAL A 70 5.035 1.326 -4.482 1.00 0.00 C ATOM 0 H VAL A 70 3.368 2.005 -7.282 1.00 0.00 H new ATOM 0 HA VAL A 70 4.912 -0.376 -6.504 1.00 0.00 H new ATOM 0 HB VAL A 70 2.975 1.430 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.179 -0.089 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.384 -0.878 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.086 -1.241 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.869 1.674 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.845 0.597 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.303 2.172 -5.115 1.00 0.00 H new ATOM 919 N THR A 71 3.013 -2.044 -6.609 1.00 0.00 N ATOM 920 CA THR A 71 1.991 -3.033 -6.926 1.00 0.00 C ATOM 921 C THR A 71 1.992 -4.170 -5.911 1.00 0.00 C ATOM 922 O THR A 71 3.026 -4.492 -5.326 1.00 0.00 O ATOM 923 CB THR A 71 2.194 -3.619 -8.336 1.00 0.00 C ATOM 924 OG1 THR A 71 2.795 -2.640 -9.191 1.00 0.00 O ATOM 925 CG2 THR A 71 0.870 -4.074 -8.929 1.00 0.00 C ATOM 0 H THR A 71 3.868 -2.434 -6.212 1.00 0.00 H new ATOM 0 HA THR A 71 1.031 -2.518 -6.889 1.00 0.00 H new ATOM 0 HB THR A 71 2.853 -4.484 -8.255 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.922 -3.020 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.039 -4.484 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.430 -4.840 -8.291 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.191 -3.224 -8.997 1.00 0.00 H new ATOM 933 N TYR A 72 0.827 -4.775 -5.706 1.00 0.00 N ATOM 934 CA TYR A 72 0.693 -5.875 -4.759 1.00 0.00 C ATOM 935 C TYR A 72 -0.211 -6.969 -5.320 1.00 0.00 C ATOM 936 O TYR A 72 -1.358 -6.716 -5.686 1.00 0.00 O ATOM 937 CB TYR A 72 0.133 -5.367 -3.430 1.00 0.00 C ATOM 938 CG TYR A 72 -1.363 -5.150 -3.446 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.242 -6.219 -3.326 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.898 -3.875 -3.582 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.610 -6.025 -3.341 1.00 0.00 C ATOM 942 CE2 TYR A 72 -3.265 -3.671 -3.597 1.00 0.00 C ATOM 943 CZ TYR A 72 -4.116 -4.750 -3.477 1.00 0.00 C ATOM 944 OH TYR A 72 -5.478 -4.552 -3.492 1.00 0.00 O ATOM 0 H TYR A 72 -0.038 -4.522 -6.183 1.00 0.00 H new ATOM 0 HA TYR A 72 1.683 -6.298 -4.590 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.379 -6.082 -2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.625 -4.429 -3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.849 -7.219 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.234 -3.029 -3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.279 -6.868 -3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.664 -2.673 -3.702 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.671 -3.598 -3.375 1.00 0.00 H new ATOM 954 N VAL A 73 0.316 -8.188 -5.383 1.00 0.00 N ATOM 955 CA VAL A 73 -0.442 -9.323 -5.896 1.00 0.00 C ATOM 956 C VAL A 73 -0.824 -10.282 -4.775 1.00 0.00 C ATOM 957 O VAL A 73 -0.013 -11.077 -4.301 1.00 0.00 O ATOM 958 CB VAL A 73 0.355 -10.093 -6.966 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.390 -11.350 -7.386 1.00 0.00 C ATOM 960 CG2 VAL A 73 0.633 -9.202 -8.167 1.00 0.00 C ATOM 0 H VAL A 73 1.265 -8.415 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.348 -8.919 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 73 1.311 -10.393 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.189 -11.880 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.532 -11.995 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.361 -11.077 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.197 -9.762 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.311 -8.870 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.212 -8.335 -7.850 1.00 0.00 H new ATOM 970 N PRO A 74 -2.090 -10.207 -4.338 1.00 0.00 N ATOM 971 CA PRO A 74 -2.610 -11.062 -3.267 1.00 0.00 C ATOM 972 C PRO A 74 -2.742 -12.518 -3.700 1.00 0.00 C ATOM 973 O PRO A 74 -3.301 -12.814 -4.757 1.00 0.00 O ATOM 974 CB PRO A 74 -3.988 -10.465 -2.973 1.00 0.00 C ATOM 975 CG PRO A 74 -4.386 -9.790 -4.240 1.00 0.00 C ATOM 976 CD PRO A 74 -3.112 -9.283 -4.857 1.00 0.00 C ATOM 0 HA PRO A 74 -1.946 -11.081 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.704 -11.239 -2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.945 -9.758 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.894 -10.484 -4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.078 -8.971 -4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.157 -9.304 -5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.907 -8.253 -4.566 1.00 0.00 H new ATOM 984 N LEU A 75 -2.224 -13.424 -2.878 1.00 0.00 N ATOM 985 CA LEU A 75 -2.284 -14.851 -3.176 1.00 0.00 C ATOM 986 C LEU A 75 -3.633 -15.436 -2.769 1.00 0.00 C ATOM 987 O LEU A 75 -4.220 -16.237 -3.497 1.00 0.00 O ATOM 988 CB LEU A 75 -1.156 -15.591 -2.454 1.00 0.00 C ATOM 989 CG LEU A 75 0.248 -15.395 -3.026 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.286 -16.049 -2.128 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.333 -15.955 -4.438 1.00 0.00 C ATOM 0 H LEU A 75 -1.758 -13.196 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.163 -14.978 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.149 -15.274 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.384 -16.657 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 75 0.456 -14.326 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.279 -15.899 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.243 -15.600 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.081 -17.117 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.340 -15.806 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.104 -17.021 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.384 -15.440 -5.077 1.00 0.00 H new ATOM 1003 N THR A 76 -4.121 -15.029 -1.601 1.00 0.00 N ATOM 1004 CA THR A 76 -5.401 -15.511 -1.097 1.00 0.00 C ATOM 1005 C THR A 76 -6.390 -14.364 -0.921 1.00 0.00 C ATOM 1006 O THR A 76 -6.003 -13.245 -0.586 1.00 0.00 O ATOM 1007 CB THR A 76 -5.236 -16.242 0.248 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.491 -16.790 0.665 1.00 0.00 O ATOM 1009 CG2 THR A 76 -4.708 -15.297 1.317 1.00 0.00 C ATOM 0 H THR A 76 -3.649 -14.366 -0.986 1.00 0.00 H new ATOM 0 HA THR A 76 -5.788 -16.211 -1.837 1.00 0.00 H new ATOM 0 HB THR A 76 -4.516 -17.049 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.377 -17.255 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.600 -15.836 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.738 -14.905 1.010 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.407 -14.471 1.450 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.667 -14.650 -1.149 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.712 -13.643 -1.012 1.00 0.00 C ATOM 1019 C ALA A 77 -8.960 -13.304 0.454 1.00 0.00 C ATOM 1020 O ALA A 77 -8.585 -14.062 1.348 1.00 0.00 O ATOM 1021 CB ALA A 77 -9.997 -14.122 -1.670 1.00 0.00 C ATOM 0 H ALA A 77 -8.003 -15.571 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.376 -12.736 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.768 -13.360 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.817 -14.305 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.328 -15.045 -1.193 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.594 -12.161 0.694 1.00 0.00 N ATOM 1028 CA GLY A 78 -9.881 -11.742 2.054 1.00 0.00 C ATOM 1029 C GLY A 78 -9.419 -10.326 2.334 1.00 0.00 C ATOM 1030 O GLY A 78 -8.747 -9.710 1.507 1.00 0.00 O ATOM 0 H GLY A 78 -9.914 -11.517 -0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.954 -11.813 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.395 -12.424 2.751 1.00 0.00 H new ATOM 1034 N MET A 79 -9.781 -9.807 3.503 1.00 0.00 N ATOM 1035 CA MET A 79 -9.400 -8.454 3.889 1.00 0.00 C ATOM 1036 C MET A 79 -7.890 -8.349 4.083 1.00 0.00 C ATOM 1037 O MET A 79 -7.305 -9.081 4.882 1.00 0.00 O ATOM 1038 CB MET A 79 -10.120 -8.045 5.175 1.00 0.00 C ATOM 1039 CG MET A 79 -11.605 -7.781 4.982 1.00 0.00 C ATOM 1040 SD MET A 79 -11.925 -6.351 3.931 1.00 0.00 S ATOM 1041 CE MET A 79 -11.460 -5.014 5.029 1.00 0.00 C ATOM 0 H MET A 79 -10.338 -10.303 4.199 1.00 0.00 H new ATOM 0 HA MET A 79 -9.694 -7.778 3.086 1.00 0.00 H new ATOM 0 HB2 MET A 79 -9.993 -8.831 5.919 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.649 -7.148 5.576 1.00 0.00 H new ATOM 0 HG2 MET A 79 -12.073 -8.662 4.542 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.072 -7.624 5.954 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.518 -4.066 4.493 1.00 0.00 H new ATOM 0 HE2 MET A 79 -12.139 -4.991 5.882 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.440 -5.170 5.381 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.266 -7.436 3.347 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.824 -7.238 3.437 1.00 0.00 C ATOM 1053 C TYR A 80 -5.494 -6.014 4.285 1.00 0.00 C ATOM 1054 O TYR A 80 -6.317 -5.111 4.441 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.222 -7.081 2.039 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.789 -8.389 1.417 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -3.507 -8.886 1.617 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -5.661 -9.128 0.627 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -3.106 -10.080 1.050 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -5.270 -10.324 0.057 1.00 0.00 C ATOM 1061 CZ TYR A 80 -3.991 -10.795 0.271 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.597 -11.986 -0.296 1.00 0.00 O ATOM 0 H TYR A 80 -7.736 -6.822 2.682 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.391 -8.116 3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -5.955 -6.604 1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.363 -6.413 2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.811 -8.329 2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.662 -8.761 0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.105 -10.451 1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.961 -10.887 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.358 -12.603 -0.324 1.00 0.00 H new ATOM 1072 N THR A 81 -4.282 -5.989 4.831 1.00 0.00 N ATOM 1073 CA THR A 81 -3.841 -4.878 5.664 1.00 0.00 C ATOM 1074 C THR A 81 -2.591 -4.222 5.090 1.00 0.00 C ATOM 1075 O THR A 81 -1.470 -4.652 5.364 1.00 0.00 O ATOM 1076 CB THR A 81 -3.550 -5.337 7.106 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.719 -5.938 7.674 1.00 0.00 O ATOM 1078 CG2 THR A 81 -3.107 -4.164 7.968 1.00 0.00 C ATOM 0 H THR A 81 -3.588 -6.727 4.711 1.00 0.00 H new ATOM 0 HA THR A 81 -4.654 -4.153 5.679 1.00 0.00 H new ATOM 0 HB THR A 81 -2.744 -6.070 7.075 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.525 -6.229 8.590 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.907 -4.512 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.201 -3.727 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.895 -3.412 7.992 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.789 -3.179 4.291 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.676 -2.463 3.678 1.00 0.00 C ATOM 1088 C LEU A 82 -0.956 -1.594 4.704 1.00 0.00 C ATOM 1089 O LEU A 82 -1.586 -0.848 5.455 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.178 -1.596 2.521 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.248 -2.223 1.627 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -3.899 -1.164 0.751 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.647 -3.330 0.773 1.00 0.00 C ATOM 0 H LEU A 82 -3.710 -2.811 4.053 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.970 -3.199 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.576 -0.669 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.325 -1.327 1.898 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.017 -2.660 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.658 -1.629 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.365 -0.406 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.142 -0.697 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.423 -3.765 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.858 -2.917 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.229 -4.102 1.419 1.00 0.00 H new ATOM 1105 N THR A 83 0.370 -1.694 4.730 1.00 0.00 N ATOM 1106 CA THR A 83 1.176 -0.917 5.663 1.00 0.00 C ATOM 1107 C THR A 83 2.293 -0.176 4.938 1.00 0.00 C ATOM 1108 O THR A 83 3.321 -0.761 4.599 1.00 0.00 O ATOM 1109 CB THR A 83 1.794 -1.814 6.753 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.788 -2.661 7.319 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.431 -0.973 7.849 1.00 0.00 C ATOM 0 H THR A 83 0.908 -2.305 4.116 1.00 0.00 H new ATOM 0 HA THR A 83 0.509 -0.194 6.132 1.00 0.00 H new ATOM 0 HB THR A 83 2.568 -2.428 6.292 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.189 -3.229 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.860 -1.628 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.216 -0.351 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.673 -0.337 8.306 1.00 0.00 H new ATOM 1119 N MET A 84 2.085 1.116 4.705 1.00 0.00 N ATOM 1120 CA MET A 84 3.077 1.938 4.021 1.00 0.00 C ATOM 1121 C MET A 84 3.830 2.819 5.013 1.00 0.00 C ATOM 1122 O MET A 84 3.223 3.536 5.809 1.00 0.00 O ATOM 1123 CB MET A 84 2.404 2.809 2.958 1.00 0.00 C ATOM 1124 CG MET A 84 3.388 3.524 2.046 1.00 0.00 C ATOM 1125 SD MET A 84 2.592 4.252 0.602 1.00 0.00 S ATOM 1126 CE MET A 84 2.433 2.817 -0.458 1.00 0.00 C ATOM 0 H MET A 84 1.239 1.616 4.979 1.00 0.00 H new ATOM 0 HA MET A 84 3.792 1.273 3.537 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.747 2.185 2.352 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.775 3.550 3.452 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.897 4.307 2.609 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.152 2.819 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.192 3.138 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.373 2.264 -0.466 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.637 2.174 -0.083 1.00 0.00 H new ATOM 1136 N LYS A 85 5.157 2.759 4.962 1.00 0.00 N ATOM 1137 CA LYS A 85 5.994 3.551 5.855 1.00 0.00 C ATOM 1138 C LYS A 85 7.076 4.289 5.074 1.00 0.00 C ATOM 1139 O LYS A 85 7.917 3.669 4.423 1.00 0.00 O ATOM 1140 CB LYS A 85 6.637 2.653 6.914 1.00 0.00 C ATOM 1141 CG LYS A 85 5.807 2.512 8.178 1.00 0.00 C ATOM 1142 CD LYS A 85 6.683 2.285 9.399 1.00 0.00 C ATOM 1143 CE LYS A 85 6.922 0.803 9.646 1.00 0.00 C ATOM 1144 NZ LYS A 85 7.663 0.166 8.522 1.00 0.00 N ATOM 0 H LYS A 85 5.676 2.169 4.311 1.00 0.00 H new ATOM 0 HA LYS A 85 5.360 4.288 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.804 1.664 6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.615 3.057 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.207 3.410 8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.113 1.679 8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.639 2.791 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.210 2.729 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.485 0.675 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.965 0.299 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.127 -0.702 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.998 -0.071 7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.382 0.825 8.163 1.00 0.00 H new ATOM 1158 N TYR A 86 7.050 5.615 5.145 1.00 0.00 N ATOM 1159 CA TYR A 86 8.028 6.438 4.444 1.00 0.00 C ATOM 1160 C TYR A 86 9.098 6.950 5.404 1.00 0.00 C ATOM 1161 O TYR A 86 8.820 7.763 6.284 1.00 0.00 O ATOM 1162 CB TYR A 86 7.336 7.617 3.757 1.00 0.00 C ATOM 1163 CG TYR A 86 8.146 8.223 2.634 1.00 0.00 C ATOM 1164 CD1 TYR A 86 8.048 7.733 1.337 1.00 0.00 C ATOM 1165 CD2 TYR A 86 9.008 9.287 2.868 1.00 0.00 C ATOM 1166 CE1 TYR A 86 8.786 8.283 0.308 1.00 0.00 C ATOM 1167 CE2 TYR A 86 9.749 9.845 1.844 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.635 9.339 0.566 1.00 0.00 C ATOM 1169 OH TYR A 86 10.371 9.891 -0.457 1.00 0.00 O ATOM 0 H TYR A 86 6.362 6.143 5.681 1.00 0.00 H new ATOM 0 HA TYR A 86 8.511 5.819 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.376 7.284 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.126 8.387 4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.383 6.908 1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 86 9.101 9.685 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.699 7.889 -0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.414 10.673 2.043 1.00 0.00 H new ATOM 0 HH TYR A 86 10.917 10.626 -0.107 1.00 0.00 H new ATOM 1179 N GLY A 87 10.324 6.467 5.226 1.00 0.00 N ATOM 1180 CA GLY A 87 11.418 6.887 6.082 1.00 0.00 C ATOM 1181 C GLY A 87 11.270 6.378 7.502 1.00 0.00 C ATOM 1182 O GLY A 87 11.816 6.961 8.438 1.00 0.00 O ATOM 0 H GLY A 87 10.579 5.793 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.359 6.527 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.470 7.976 6.093 1.00 0.00 H new ATOM 1186 N GLY A 88 10.528 5.286 7.664 1.00 0.00 N ATOM 1187 CA GLY A 88 10.323 4.718 8.984 1.00 0.00 C ATOM 1188 C GLY A 88 9.066 5.242 9.650 1.00 0.00 C ATOM 1189 O GLY A 88 8.716 4.815 10.750 1.00 0.00 O ATOM 0 H GLY A 88 10.066 4.785 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.263 3.633 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.185 4.944 9.612 1.00 0.00 H new ATOM 1193 N GLU A 89 8.387 6.171 8.984 1.00 0.00 N ATOM 1194 CA GLU A 89 7.164 6.754 9.522 1.00 0.00 C ATOM 1195 C GLU A 89 5.954 6.347 8.686 1.00 0.00 C ATOM 1196 O GLU A 89 6.049 6.198 7.467 1.00 0.00 O ATOM 1197 CB GLU A 89 7.277 8.280 9.566 1.00 0.00 C ATOM 1198 CG GLU A 89 8.489 8.778 10.336 1.00 0.00 C ATOM 1199 CD GLU A 89 8.253 10.128 10.985 1.00 0.00 C ATOM 1200 OE1 GLU A 89 7.096 10.598 10.975 1.00 0.00 O ATOM 1201 OE2 GLU A 89 9.226 10.714 11.504 1.00 0.00 O ATOM 0 H GLU A 89 8.663 6.535 8.072 1.00 0.00 H new ATOM 0 HA GLU A 89 7.027 6.377 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.323 8.662 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.375 8.690 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.751 8.050 11.104 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.341 8.848 9.660 1.00 0.00 H new ATOM 1208 N LEU A 90 4.817 6.170 9.349 1.00 0.00 N ATOM 1209 CA LEU A 90 3.587 5.779 8.668 1.00 0.00 C ATOM 1210 C LEU A 90 2.986 6.959 7.911 1.00 0.00 C ATOM 1211 O LEU A 90 3.110 8.109 8.332 1.00 0.00 O ATOM 1212 CB LEU A 90 2.573 5.236 9.677 1.00 0.00 C ATOM 1213 CG LEU A 90 2.619 3.728 9.928 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.658 3.344 11.043 1.00 0.00 C ATOM 1215 CD2 LEU A 90 2.292 2.965 8.653 1.00 0.00 C ATOM 0 H LEU A 90 4.721 6.291 10.357 1.00 0.00 H new ATOM 0 HA LEU A 90 3.831 4.996 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.726 5.747 10.627 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.572 5.497 9.333 1.00 0.00 H new ATOM 0 HG LEU A 90 3.629 3.461 10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.704 2.268 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.937 3.864 11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.643 3.625 10.762 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.329 1.894 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.293 3.237 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.019 3.217 7.881 1.00 0.00 H new ATOM 1227 N VAL A 91 2.332 6.666 6.792 1.00 0.00 N ATOM 1228 CA VAL A 91 1.708 7.701 5.977 1.00 0.00 C ATOM 1229 C VAL A 91 0.240 7.883 6.348 1.00 0.00 C ATOM 1230 O VAL A 91 -0.385 7.012 6.953 1.00 0.00 O ATOM 1231 CB VAL A 91 1.809 7.372 4.476 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.065 7.988 3.878 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.789 5.866 4.259 1.00 0.00 C ATOM 0 H VAL A 91 2.220 5.719 6.429 1.00 0.00 H new ATOM 0 HA VAL A 91 2.248 8.627 6.175 1.00 0.00 H new ATOM 0 HB VAL A 91 0.945 7.801 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.120 7.745 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.033 9.071 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.943 7.590 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.861 5.651 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.633 5.412 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.858 5.454 4.650 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.325 9.041 5.977 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.727 9.364 6.260 1.00 0.00 C ATOM 1245 C PRO A 92 -2.694 8.517 5.439 1.00 0.00 C ATOM 1246 O PRO A 92 -3.909 8.703 5.506 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.838 10.838 5.862 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.763 11.040 4.852 1.00 0.00 C ATOM 1249 CD PRO A 92 0.361 10.125 5.253 1.00 0.00 C ATOM 0 HA PRO A 92 -1.989 9.168 7.300 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.820 11.063 5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.700 11.492 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.120 10.803 3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.433 12.079 4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.902 9.749 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.088 10.634 5.886 1.00 0.00 H new ATOM 1257 N HIS A 93 -2.146 7.585 4.666 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.961 6.707 3.833 1.00 0.00 C ATOM 1259 C HIS A 93 -2.756 5.246 4.220 1.00 0.00 C ATOM 1260 O HIS A 93 -3.077 4.339 3.452 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.620 6.909 2.356 1.00 0.00 C ATOM 1262 CG HIS A 93 -3.324 8.074 1.732 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -4.372 7.933 0.846 1.00 0.00 N ATOM 1264 CD2 HIS A 93 -3.126 9.406 1.871 1.00 0.00 C ATOM 1265 CE1 HIS A 93 -4.787 9.128 0.466 1.00 0.00 C ATOM 1266 NE2 HIS A 93 -4.048 10.039 1.074 1.00 0.00 N ATOM 0 H HIS A 93 -1.142 7.418 4.599 1.00 0.00 H new ATOM 0 HA HIS A 93 -4.008 6.963 3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.544 7.050 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.876 6.004 1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.382 9.882 2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -5.593 9.327 -0.224 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.146 11.049 0.969 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.219 5.025 5.415 1.00 0.00 N ATOM 1276 CA PHE A 94 -1.970 3.674 5.904 1.00 0.00 C ATOM 1277 C PHE A 94 -1.896 3.652 7.428 1.00 0.00 C ATOM 1278 O PHE A 94 -1.540 4.639 8.072 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.670 3.126 5.310 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.691 3.026 3.812 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.558 4.159 3.026 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.843 1.797 3.189 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.578 4.069 1.647 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.863 1.701 1.810 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.729 2.838 1.038 1.00 0.00 C ATOM 0 H PHE A 94 -1.948 5.764 6.063 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.800 3.041 5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.157 3.769 5.612 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.476 2.139 5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.437 5.124 3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.947 0.904 3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.476 4.960 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.983 0.738 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.742 2.765 -0.039 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.240 2.498 8.019 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.665 1.317 7.263 1.00 0.00 C ATOM 1297 C PRO A 95 -4.032 1.505 6.614 1.00 0.00 C ATOM 1298 O PRO A 95 -4.864 2.266 7.107 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.725 0.218 8.327 1.00 0.00 C ATOM 1300 CG PRO A 95 -2.954 0.942 9.608 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.241 2.259 9.472 1.00 0.00 C ATOM 0 HA PRO A 95 -1.987 1.095 6.439 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.530 -0.488 8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.798 -0.355 8.357 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.019 1.091 9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.565 0.373 10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.759 3.054 10.010 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.228 2.211 9.872 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.257 0.808 5.506 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.524 0.897 4.791 1.00 0.00 C ATOM 1311 C ALA A 96 -6.068 -0.490 4.462 1.00 0.00 C ATOM 1312 O ALA A 96 -5.417 -1.274 3.770 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.357 1.715 3.519 1.00 0.00 C ATOM 0 H ALA A 96 -3.578 0.175 5.083 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.243 1.397 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.311 1.773 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.022 2.720 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.618 1.239 2.875 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.263 -0.786 4.961 1.00 0.00 N ATOM 1320 CA ARG A 97 -7.892 -2.079 4.722 1.00 0.00 C ATOM 1321 C ARG A 97 -8.570 -2.108 3.355 1.00 0.00 C ATOM 1322 O ARG A 97 -9.216 -1.142 2.950 1.00 0.00 O ATOM 1323 CB ARG A 97 -8.916 -2.383 5.817 1.00 0.00 C ATOM 1324 CG ARG A 97 -8.315 -2.445 7.212 1.00 0.00 C ATOM 1325 CD ARG A 97 -7.613 -3.771 7.458 1.00 0.00 C ATOM 1326 NE ARG A 97 -7.144 -3.896 8.835 1.00 0.00 N ATOM 1327 CZ ARG A 97 -7.912 -4.306 9.839 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -9.179 -4.630 9.619 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -7.412 -4.393 11.065 1.00 0.00 N ATOM 0 H ARG A 97 -7.815 -0.148 5.534 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.114 -2.842 4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.693 -1.619 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.400 -3.334 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.606 -1.627 7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.101 -2.305 7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.296 -4.590 7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.767 -3.865 6.777 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.174 -3.655 9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.566 -4.565 8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.766 -4.944 10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.438 -4.145 11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.002 -4.708 11.835 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.418 -3.224 2.649 1.00 0.00 N ATOM 1344 CA VAL A 98 -9.016 -3.380 1.328 1.00 0.00 C ATOM 1345 C VAL A 98 -9.534 -4.799 1.123 1.00 0.00 C ATOM 1346 O VAL A 98 -8.768 -5.762 1.152 1.00 0.00 O ATOM 1347 CB VAL A 98 -8.007 -3.048 0.212 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.649 -3.215 -1.156 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.464 -1.638 0.387 1.00 0.00 C ATOM 0 H VAL A 98 -7.886 -4.033 2.970 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.850 -2.680 1.274 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.172 -3.745 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.921 -2.976 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.984 -4.245 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.503 -2.544 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.753 -1.420 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.286 -0.924 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.963 -1.558 1.352 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.841 -4.922 0.917 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.464 -6.223 0.705 1.00 0.00 C ATOM 1361 C LYS A 99 -11.111 -6.778 -0.671 1.00 0.00 C ATOM 1362 O LYS A 99 -11.475 -6.201 -1.696 1.00 0.00 O ATOM 1363 CB LYS A 99 -12.983 -6.113 0.849 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.665 -7.441 1.129 1.00 0.00 C ATOM 1365 CD LYS A 99 -14.979 -7.248 1.868 1.00 0.00 C ATOM 1366 CE LYS A 99 -16.096 -6.836 0.920 1.00 0.00 C ATOM 1367 NZ LYS A 99 -16.746 -8.015 0.284 1.00 0.00 N ATOM 0 H LYS A 99 -11.490 -4.135 0.892 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.082 -6.908 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.214 -5.418 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.396 -5.687 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.848 -7.962 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.003 -8.073 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.253 -8.174 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.856 -6.488 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.843 -6.261 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.693 -6.182 0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.501 -7.693 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.039 -8.550 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -17.153 -8.626 1.020 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.402 -7.902 -0.687 1.00 0.00 N ATOM 1382 CA VAL A 100 -10.003 -8.536 -1.938 1.00 0.00 C ATOM 1383 C VAL A 100 -10.941 -9.683 -2.296 1.00 0.00 C ATOM 1384 O VAL A 100 -11.296 -10.496 -1.444 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.561 -9.071 -1.861 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.233 -9.905 -3.090 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.574 -7.924 -1.706 1.00 0.00 C ATOM 0 H VAL A 100 -10.092 -8.392 0.152 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.058 -7.771 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.478 -9.713 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.210 -10.274 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.920 -10.749 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.334 -9.290 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.560 -8.321 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.657 -7.254 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.796 -7.374 -0.792 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.337 -9.742 -3.564 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.235 -10.791 -4.034 1.00 0.00 C ATOM 1399 C GLU A 101 -11.453 -11.914 -4.709 1.00 0.00 C ATOM 1400 O GLU A 101 -10.320 -11.734 -5.156 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.263 -10.213 -5.010 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.460 -9.576 -4.325 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.660 -9.452 -5.244 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -15.983 -10.442 -5.933 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -16.275 -8.366 -5.274 1.00 0.00 O ATOM 0 H GLU A 101 -11.051 -9.077 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.756 -11.203 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.776 -9.468 -5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.612 -11.007 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.734 -10.171 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.182 -8.587 -3.961 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.070 -13.102 -4.784 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.452 -14.279 -5.402 1.00 0.00 C ATOM 1414 C PRO A 102 -11.324 -14.139 -6.915 1.00 0.00 C ATOM 1415 O PRO A 102 -12.025 -13.340 -7.535 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.416 -15.414 -5.049 1.00 0.00 C ATOM 1417 CG PRO A 102 -13.731 -14.744 -4.846 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.421 -13.389 -4.272 1.00 0.00 C ATOM 0 HA PRO A 102 -10.435 -14.440 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.467 -16.153 -5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.096 -15.940 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.273 -14.654 -5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.362 -15.320 -4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.142 -12.640 -4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.444 -13.399 -3.182 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.425 -14.922 -7.503 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.208 -14.887 -8.944 1.00 0.00 C ATOM 1428 C ALA A 103 -11.060 -15.935 -9.653 1.00 0.00 C ATOM 1429 O ALA A 103 -10.572 -16.666 -10.515 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.735 -15.098 -9.261 1.00 0.00 C ATOM 0 H ALA A 103 -9.836 -15.588 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.509 -13.905 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.587 -15.070 -10.341 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.146 -14.309 -8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.415 -16.067 -8.877 1.00 0.00 H new