USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -0.084 K(o=-0.28,f=-0.87) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -0.193 USER MOD Single : A 9 SER OG : rot -47:sc= 1.15 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 26 HIS : no HE2:sc= -6.51! C(o=-6.5!,f=-9.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 120:sc= -2.92! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 88:sc= 0.00264 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -52:sc= -1.21! USER MOD Single : A 92 SER OG : rot -49:sc= -0.394 USER MOD Single : A 93 ASN : amide:sc= -1.84! C(o=-1.8!,f=-8.9!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.822 K(o=-0.82,f=-1.6!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.115 16.886 -5.367 1.00 0.00 N ATOM 67 CA LEU A 8 4.381 16.050 -4.433 1.00 0.00 C ATOM 68 C LEU A 8 5.322 14.991 -3.855 1.00 0.00 C ATOM 69 O LEU A 8 5.964 14.252 -4.600 1.00 0.00 O ATOM 70 CB LEU A 8 3.135 15.466 -5.103 1.00 0.00 C ATOM 71 CG LEU A 8 2.334 14.462 -4.270 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.924 15.069 -2.927 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.130 13.937 -5.054 1.00 0.00 C ATOM 0 HA LEU A 8 4.016 16.644 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.475 16.289 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.439 14.979 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 8 2.975 13.607 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.356 14.336 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.816 15.354 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.307 15.951 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.578 13.226 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.478 14.769 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.475 13.442 -5.962 1.00 0.00 H new ATOM 85 N SER A 9 5.374 14.950 -2.532 1.00 0.00 N ATOM 86 CA SER A 9 6.226 13.994 -1.845 1.00 0.00 C ATOM 87 C SER A 9 5.465 12.687 -1.614 1.00 0.00 C ATOM 88 O SER A 9 4.290 12.704 -1.251 1.00 0.00 O ATOM 89 CB SER A 9 6.727 14.559 -0.515 1.00 0.00 C ATOM 90 OG SER A 9 5.693 14.618 0.464 1.00 0.00 O ATOM 0 H SER A 9 4.840 15.564 -1.917 1.00 0.00 H new ATOM 0 HA SER A 9 7.094 13.795 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.543 13.940 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.132 15.558 -0.675 1.00 0.00 H new ATOM 0 HG SER A 9 4.888 15.011 0.066 1.00 0.00 H new ATOM 96 N PRO A 10 6.184 11.555 -1.840 1.00 0.00 N ATOM 97 CA PRO A 10 5.590 10.242 -1.660 1.00 0.00 C ATOM 98 C PRO A 10 5.454 9.900 -0.175 1.00 0.00 C ATOM 99 O PRO A 10 5.918 10.649 0.683 1.00 0.00 O ATOM 100 CB PRO A 10 6.508 9.289 -2.407 1.00 0.00 C ATOM 101 CG PRO A 10 7.824 10.029 -2.583 1.00 0.00 C ATOM 102 CD PRO A 10 7.578 11.496 -2.271 1.00 0.00 C ATOM 0 HA PRO A 10 4.574 10.183 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.651 8.365 -1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.083 9.013 -3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.584 9.619 -1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.195 9.912 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.249 11.853 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.748 12.121 -3.148 1.00 0.00 H new ATOM 110 N PRO A 11 4.798 8.738 0.090 1.00 0.00 N ATOM 111 CA PRO A 11 4.595 8.288 1.456 1.00 0.00 C ATOM 112 C PRO A 11 5.891 7.732 2.049 1.00 0.00 C ATOM 113 O PRO A 11 6.904 7.639 1.357 1.00 0.00 O ATOM 114 CB PRO A 11 3.488 7.250 1.368 1.00 0.00 C ATOM 115 CG PRO A 11 3.435 6.820 -0.089 1.00 0.00 C ATOM 116 CD PRO A 11 4.235 7.826 -0.901 1.00 0.00 C ATOM 0 HA PRO A 11 4.311 9.098 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.696 6.401 2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.533 7.669 1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.849 5.819 -0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.403 6.781 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.019 7.335 -1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.600 8.356 -1.611 1.00 0.00 H new ATOM 124 N ARG A 12 5.817 7.377 3.323 1.00 0.00 N ATOM 125 CA ARG A 12 6.972 6.832 4.016 1.00 0.00 C ATOM 126 C ARG A 12 6.525 5.855 5.106 1.00 0.00 C ATOM 127 O ARG A 12 5.347 5.806 5.455 1.00 0.00 O ATOM 128 CB ARG A 12 7.809 7.945 4.650 1.00 0.00 C ATOM 129 CG ARG A 12 7.484 9.301 4.022 1.00 0.00 C ATOM 130 CD ARG A 12 8.328 10.413 4.649 1.00 0.00 C ATOM 131 NE ARG A 12 8.055 11.699 3.971 1.00 0.00 N ATOM 132 CZ ARG A 12 8.696 12.844 4.246 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.651 12.868 5.186 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.382 13.964 3.580 1.00 0.00 N ATOM 0 H ARG A 12 4.975 7.456 3.894 1.00 0.00 H new ATOM 0 HA ARG A 12 7.583 6.307 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.619 7.982 5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.869 7.726 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.668 9.262 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.425 9.524 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.101 10.498 5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.387 10.167 4.568 1.00 0.00 H new ATOM 0 HE ARG A 12 7.334 11.716 3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.890 12.015 5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.139 13.739 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.656 13.945 2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.869 14.835 3.789 1.00 0.00 H new ATOM 148 N GLY A 13 7.490 5.102 5.613 1.00 0.00 N ATOM 149 CA GLY A 13 7.211 4.129 6.655 1.00 0.00 C ATOM 150 C GLY A 13 6.120 3.151 6.215 1.00 0.00 C ATOM 151 O GLY A 13 5.141 2.945 6.930 1.00 0.00 O ATOM 0 H GLY A 13 8.466 5.146 5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.121 3.579 6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.898 4.644 7.563 1.00 0.00 H new ATOM 155 N LEU A 14 6.325 2.576 5.040 1.00 0.00 N ATOM 156 CA LEU A 14 5.371 1.624 4.495 1.00 0.00 C ATOM 157 C LEU A 14 5.752 0.213 4.946 1.00 0.00 C ATOM 158 O LEU A 14 6.708 -0.369 4.436 1.00 0.00 O ATOM 159 CB LEU A 14 5.268 1.778 2.977 1.00 0.00 C ATOM 160 CG LEU A 14 3.904 1.461 2.361 1.00 0.00 C ATOM 161 CD1 LEU A 14 4.060 0.696 1.046 1.00 0.00 C ATOM 162 CD2 LEU A 14 3.014 0.714 3.357 1.00 0.00 C ATOM 0 H LEU A 14 7.138 2.751 4.449 1.00 0.00 H new ATOM 0 HA LEU A 14 4.371 1.823 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.532 2.803 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.013 1.130 2.515 1.00 0.00 H new ATOM 0 HG LEU A 14 3.407 2.403 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.075 0.484 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.630 1.299 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.586 -0.241 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.050 0.500 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.494 -0.222 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.863 1.330 4.243 1.00 0.00 H new ATOM 174 N VAL A 15 4.983 -0.298 5.897 1.00 0.00 N ATOM 175 CA VAL A 15 5.228 -1.630 6.422 1.00 0.00 C ATOM 176 C VAL A 15 3.993 -2.502 6.184 1.00 0.00 C ATOM 177 O VAL A 15 2.939 -1.999 5.799 1.00 0.00 O ATOM 178 CB VAL A 15 5.625 -1.547 7.897 1.00 0.00 C ATOM 179 CG1 VAL A 15 7.145 -1.461 8.052 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.937 -0.366 8.585 1.00 0.00 C ATOM 0 H VAL A 15 4.190 0.187 6.317 1.00 0.00 H new ATOM 0 HA VAL A 15 6.063 -2.098 5.901 1.00 0.00 H new ATOM 0 HB VAL A 15 5.289 -2.462 8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.400 -1.403 9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.606 -2.347 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.513 -0.571 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.237 -0.330 9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.228 0.562 8.092 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.856 -0.487 8.521 1.00 0.00 H new ATOM 190 N ALA A 16 4.166 -3.794 6.422 1.00 0.00 N ATOM 191 CA ALA A 16 3.079 -4.740 6.238 1.00 0.00 C ATOM 192 C ALA A 16 3.121 -5.783 7.358 1.00 0.00 C ATOM 193 O ALA A 16 4.126 -6.471 7.532 1.00 0.00 O ATOM 194 CB ALA A 16 3.181 -5.372 4.849 1.00 0.00 C ATOM 0 H ALA A 16 5.042 -4.208 6.741 1.00 0.00 H new ATOM 0 HA ALA A 16 2.116 -4.233 6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.365 -6.082 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.116 -4.593 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.134 -5.892 4.755 1.00 0.00 H new ATOM 200 N VAL A 17 2.018 -5.866 8.087 1.00 0.00 N ATOM 201 CA VAL A 17 1.917 -6.813 9.185 1.00 0.00 C ATOM 202 C VAL A 17 0.696 -7.710 8.968 1.00 0.00 C ATOM 203 O VAL A 17 -0.441 -7.251 9.068 1.00 0.00 O ATOM 204 CB VAL A 17 1.880 -6.066 10.519 1.00 0.00 C ATOM 205 CG1 VAL A 17 1.189 -4.709 10.369 1.00 0.00 C ATOM 206 CG2 VAL A 17 1.204 -6.909 11.602 1.00 0.00 C ATOM 0 H VAL A 17 1.187 -5.294 7.939 1.00 0.00 H new ATOM 0 HA VAL A 17 2.794 -7.459 9.214 1.00 0.00 H new ATOM 0 HB VAL A 17 2.909 -5.885 10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.176 -4.199 11.332 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.732 -4.102 9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.166 -4.858 10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.191 -6.354 12.540 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.181 -7.136 11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.757 -7.838 11.738 1.00 0.00 H new ATOM 216 N ARG A 18 0.973 -8.972 8.675 1.00 0.00 N ATOM 217 CA ARG A 18 -0.088 -9.937 8.443 1.00 0.00 C ATOM 218 C ARG A 18 -0.778 -10.293 9.761 1.00 0.00 C ATOM 219 O ARG A 18 -0.145 -10.298 10.816 1.00 0.00 O ATOM 220 CB ARG A 18 0.458 -11.213 7.800 1.00 0.00 C ATOM 221 CG ARG A 18 -0.490 -11.730 6.716 1.00 0.00 C ATOM 222 CD ARG A 18 -0.943 -13.159 7.020 1.00 0.00 C ATOM 223 NE ARG A 18 -1.437 -13.248 8.413 1.00 0.00 N ATOM 224 CZ ARG A 18 -2.283 -14.190 8.851 1.00 0.00 C ATOM 225 NH1 ARG A 18 -2.734 -15.129 8.009 1.00 0.00 N ATOM 226 NH2 ARG A 18 -2.677 -14.192 10.132 1.00 0.00 N ATOM 0 H ARG A 18 1.917 -9.349 8.593 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.808 -9.481 7.763 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.438 -11.015 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.596 -11.979 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.359 -11.076 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.009 -11.701 5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.730 -13.455 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.113 -13.851 6.875 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.113 -12.548 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.433 -15.127 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.378 -15.846 8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.333 -13.477 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.321 -14.909 10.466 1.00 0.00 H new ATOM 240 N THR A 19 -2.067 -10.583 9.658 1.00 0.00 N ATOM 241 CA THR A 19 -2.849 -10.940 10.829 1.00 0.00 C ATOM 242 C THR A 19 -3.998 -11.873 10.439 1.00 0.00 C ATOM 243 O THR A 19 -4.091 -12.301 9.289 1.00 0.00 O ATOM 244 CB THR A 19 -3.318 -9.646 11.498 1.00 0.00 C ATOM 245 OG1 THR A 19 -4.637 -9.454 10.995 1.00 0.00 O ATOM 246 CG2 THR A 19 -2.548 -8.420 11.003 1.00 0.00 C ATOM 0 H THR A 19 -2.589 -10.578 8.782 1.00 0.00 H new ATOM 0 HA THR A 19 -2.250 -11.497 11.550 1.00 0.00 H new ATOM 0 HB THR A 19 -3.205 -9.734 12.579 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.018 -8.637 11.379 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.919 -7.529 11.509 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.487 -8.545 11.220 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.688 -8.312 9.927 1.00 0.00 H new ATOM 254 N PRO A 20 -4.866 -12.167 11.443 1.00 0.00 N ATOM 255 CA PRO A 20 -6.005 -13.040 11.216 1.00 0.00 C ATOM 256 C PRO A 20 -7.103 -12.318 10.432 1.00 0.00 C ATOM 257 O PRO A 20 -8.077 -12.937 10.007 1.00 0.00 O ATOM 258 CB PRO A 20 -6.452 -13.472 12.603 1.00 0.00 C ATOM 259 CG PRO A 20 -5.847 -12.465 13.569 1.00 0.00 C ATOM 260 CD PRO A 20 -4.787 -11.677 12.816 1.00 0.00 C ATOM 0 HA PRO A 20 -5.755 -13.907 10.604 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.539 -13.480 12.678 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.109 -14.482 12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.617 -11.797 13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.407 -12.975 14.426 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.980 -10.605 12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.796 -11.842 13.239 1.00 0.00 H new ATOM 268 N ARG A 21 -6.909 -11.018 10.266 1.00 0.00 N ATOM 269 CA ARG A 21 -7.870 -10.204 9.540 1.00 0.00 C ATOM 270 C ARG A 21 -7.222 -9.604 8.291 1.00 0.00 C ATOM 271 O ARG A 21 -7.742 -8.650 7.715 1.00 0.00 O ATOM 272 CB ARG A 21 -8.409 -9.075 10.420 1.00 0.00 C ATOM 273 CG ARG A 21 -8.474 -9.504 11.887 1.00 0.00 C ATOM 274 CD ARG A 21 -9.472 -8.646 12.666 1.00 0.00 C ATOM 275 NE ARG A 21 -10.379 -9.513 13.451 1.00 0.00 N ATOM 276 CZ ARG A 21 -11.207 -10.418 12.912 1.00 0.00 C ATOM 277 NH1 ARG A 21 -11.248 -10.581 11.583 1.00 0.00 N ATOM 278 NH2 ARG A 21 -11.994 -11.160 13.703 1.00 0.00 N ATOM 0 H ARG A 21 -6.101 -10.508 10.622 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.698 -10.849 9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.770 -8.197 10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.403 -8.786 10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.764 -10.553 11.950 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.486 -9.419 12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.939 -7.967 13.331 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.050 -8.030 11.977 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.373 -9.415 14.466 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.649 -10.016 10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.878 -11.270 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.963 -11.036 14.715 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.625 -11.849 13.293 1.00 0.00 H new ATOM 292 N GLY A 22 -6.096 -10.188 7.909 1.00 0.00 N ATOM 293 CA GLY A 22 -5.371 -9.723 6.738 1.00 0.00 C ATOM 294 C GLY A 22 -4.014 -9.135 7.131 1.00 0.00 C ATOM 295 O GLY A 22 -3.406 -9.568 8.109 1.00 0.00 O ATOM 0 H GLY A 22 -5.668 -10.979 8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.225 -10.551 6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.961 -8.969 6.216 1.00 0.00 H new ATOM 299 N VAL A 23 -3.579 -8.159 6.349 1.00 0.00 N ATOM 300 CA VAL A 23 -2.305 -7.508 6.603 1.00 0.00 C ATOM 301 C VAL A 23 -2.528 -6.001 6.751 1.00 0.00 C ATOM 302 O VAL A 23 -3.130 -5.371 5.883 1.00 0.00 O ATOM 303 CB VAL A 23 -1.308 -7.859 5.496 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.002 -8.592 4.346 1.00 0.00 C ATOM 305 CG2 VAL A 23 -0.586 -6.608 4.992 1.00 0.00 C ATOM 0 H VAL A 23 -4.086 -7.803 5.539 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.872 -7.866 7.537 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.560 -8.530 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.272 -8.830 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.449 -9.514 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.781 -7.955 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.117 -6.885 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.315 -5.902 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.044 -6.144 5.816 1.00 0.00 H new ATOM 315 N LEU A 24 -2.030 -5.467 7.857 1.00 0.00 N ATOM 316 CA LEU A 24 -2.168 -4.047 8.129 1.00 0.00 C ATOM 317 C LEU A 24 -0.931 -3.310 7.609 1.00 0.00 C ATOM 318 O LEU A 24 0.163 -3.471 8.147 1.00 0.00 O ATOM 319 CB LEU A 24 -2.444 -3.811 9.616 1.00 0.00 C ATOM 320 CG LEU A 24 -3.037 -2.448 9.980 1.00 0.00 C ATOM 321 CD1 LEU A 24 -3.875 -1.890 8.828 1.00 0.00 C ATOM 322 CD2 LEU A 24 -3.834 -2.528 11.283 1.00 0.00 C ATOM 0 H LEU A 24 -1.531 -5.992 8.575 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.029 -3.639 7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.125 -4.587 9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.510 -3.936 10.163 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.216 -1.751 10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.285 -0.921 9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.247 -1.773 7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.691 -2.578 8.605 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.245 -1.546 11.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.648 -3.244 11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.178 -2.851 12.091 1.00 0.00 H new ATOM 334 N LEU A 25 -1.148 -2.519 6.569 1.00 0.00 N ATOM 335 CA LEU A 25 -0.065 -1.757 5.970 1.00 0.00 C ATOM 336 C LEU A 25 -0.032 -0.356 6.585 1.00 0.00 C ATOM 337 O LEU A 25 -0.954 0.433 6.388 1.00 0.00 O ATOM 338 CB LEU A 25 -0.189 -1.757 4.445 1.00 0.00 C ATOM 339 CG LEU A 25 -0.376 -3.126 3.788 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.060 -2.991 2.426 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.954 -3.874 3.690 1.00 0.00 C ATOM 0 H LEU A 25 -2.057 -2.389 6.126 1.00 0.00 H new ATOM 0 HA LEU A 25 0.895 -2.224 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.033 -1.125 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.705 -1.295 4.027 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.033 -3.722 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.181 -3.978 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.039 -2.528 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.448 -2.370 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.792 -4.844 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.655 -3.293 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.364 -4.020 4.689 1.00 0.00 H new ATOM 353 N HIS A 26 1.040 -0.091 7.316 1.00 0.00 N ATOM 354 CA HIS A 26 1.205 1.201 7.961 1.00 0.00 C ATOM 355 C HIS A 26 2.119 2.086 7.110 1.00 0.00 C ATOM 356 O HIS A 26 3.210 1.668 6.725 1.00 0.00 O ATOM 357 CB HIS A 26 1.711 1.032 9.395 1.00 0.00 C ATOM 358 CG HIS A 26 1.146 -0.173 10.107 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.635 -0.624 11.321 1.00 0.00 N ATOM 360 CD2 HIS A 26 0.129 -1.015 9.765 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.937 -1.691 11.683 1.00 0.00 C ATOM 362 NE2 HIS A 26 0.004 -1.932 10.717 1.00 0.00 N ATOM 0 H HIS A 26 1.803 -0.748 7.476 1.00 0.00 H new ATOM 0 HA HIS A 26 0.239 1.701 8.035 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.798 0.955 9.379 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.463 1.927 9.965 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.402 -0.206 11.848 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.473 -0.947 8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.081 -2.268 12.584 1.00 0.00 H new ATOM 370 N TRP A 27 1.640 3.291 6.842 1.00 0.00 N ATOM 371 CA TRP A 27 2.400 4.238 6.044 1.00 0.00 C ATOM 372 C TRP A 27 2.310 5.607 6.722 1.00 0.00 C ATOM 373 O TRP A 27 1.530 5.791 7.655 1.00 0.00 O ATOM 374 CB TRP A 27 1.907 4.255 4.596 1.00 0.00 C ATOM 375 CG TRP A 27 0.467 4.746 4.434 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.014 6.006 4.487 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.697 3.928 4.190 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.352 6.060 4.295 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.798 4.757 4.109 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.816 2.535 4.042 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.096 4.286 3.878 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.120 2.081 3.812 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.239 2.902 3.727 1.00 0.00 C ATOM 0 H TRP A 27 0.735 3.634 7.163 1.00 0.00 H new ATOM 0 HA TRP A 27 3.448 3.944 5.991 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.566 4.892 4.006 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.985 3.249 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.639 6.870 4.658 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.928 6.902 4.290 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.031 1.868 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.942 4.955 3.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.267 1.018 3.692 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.214 2.474 3.545 1.00 0.00 H new ATOM 394 N ASP A 28 3.120 6.532 6.227 1.00 0.00 N ATOM 395 CA ASP A 28 3.141 7.878 6.773 1.00 0.00 C ATOM 396 C ASP A 28 2.657 8.864 5.708 1.00 0.00 C ATOM 397 O ASP A 28 2.843 8.634 4.514 1.00 0.00 O ATOM 398 CB ASP A 28 4.559 8.283 7.183 1.00 0.00 C ATOM 399 CG ASP A 28 4.781 8.420 8.691 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.776 8.309 9.425 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.952 8.632 9.075 1.00 0.00 O ATOM 0 H ASP A 28 3.766 6.375 5.454 1.00 0.00 H new ATOM 0 HA ASP A 28 2.492 7.897 7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.259 7.544 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.801 9.233 6.707 1.00 0.00 H new ATOM 406 N PRO A 29 2.030 9.970 6.191 1.00 0.00 N ATOM 407 CA PRO A 29 1.518 10.991 5.293 1.00 0.00 C ATOM 408 C PRO A 29 2.656 11.842 4.726 1.00 0.00 C ATOM 409 O PRO A 29 3.680 12.033 5.380 1.00 0.00 O ATOM 410 CB PRO A 29 0.537 11.795 6.131 1.00 0.00 C ATOM 411 CG PRO A 29 0.879 11.490 7.581 1.00 0.00 C ATOM 412 CD PRO A 29 1.792 10.275 7.598 1.00 0.00 C ATOM 0 HA PRO A 29 1.023 10.572 4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.629 12.861 5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.492 11.514 5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.372 12.344 8.045 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.027 11.295 8.154 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.725 10.488 8.120 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.324 9.435 8.111 1.00 0.00 H new ATOM 420 N PRO A 30 2.432 12.345 3.482 1.00 0.00 N ATOM 421 CA PRO A 30 3.426 13.171 2.818 1.00 0.00 C ATOM 422 C PRO A 30 3.459 14.578 3.419 1.00 0.00 C ATOM 423 O PRO A 30 2.465 15.301 3.369 1.00 0.00 O ATOM 424 CB PRO A 30 3.031 13.160 1.351 1.00 0.00 C ATOM 425 CG PRO A 30 1.578 12.717 1.314 1.00 0.00 C ATOM 426 CD PRO A 30 1.231 12.140 2.677 1.00 0.00 C ATOM 0 HA PRO A 30 4.440 12.793 2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.149 14.149 0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.662 12.477 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.928 13.560 1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.426 11.971 0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.370 12.646 3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.977 11.082 2.606 1.00 0.00 H new ATOM 434 N GLU A 31 4.612 14.924 3.972 1.00 0.00 N ATOM 435 CA GLU A 31 4.787 16.232 4.581 1.00 0.00 C ATOM 436 C GLU A 31 5.025 17.292 3.504 1.00 0.00 C ATOM 437 O GLU A 31 4.842 18.483 3.749 1.00 0.00 O ATOM 438 CB GLU A 31 5.931 16.215 5.597 1.00 0.00 C ATOM 439 CG GLU A 31 6.105 17.588 6.249 1.00 0.00 C ATOM 440 CD GLU A 31 6.202 17.463 7.771 1.00 0.00 C ATOM 441 OE1 GLU A 31 7.208 16.880 8.230 1.00 0.00 O ATOM 442 OE2 GLU A 31 5.269 17.954 8.442 1.00 0.00 O ATOM 0 H GLU A 31 5.434 14.322 4.011 1.00 0.00 H new ATOM 0 HA GLU A 31 3.873 16.487 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.730 15.467 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.857 15.923 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.004 18.067 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.264 18.229 5.986 1.00 0.00 H new ATOM 449 N LEU A 32 5.429 16.820 2.334 1.00 0.00 N ATOM 450 CA LEU A 32 5.694 17.712 1.218 1.00 0.00 C ATOM 451 C LEU A 32 4.667 17.458 0.113 1.00 0.00 C ATOM 452 O LEU A 32 4.879 16.613 -0.755 1.00 0.00 O ATOM 453 CB LEU A 32 7.145 17.572 0.753 1.00 0.00 C ATOM 454 CG LEU A 32 8.138 18.575 1.343 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.477 18.520 0.605 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.549 19.986 1.358 1.00 0.00 C ATOM 0 H LEU A 32 5.579 15.831 2.134 1.00 0.00 H new ATOM 0 HA LEU A 32 5.581 18.751 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.488 16.566 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.168 17.664 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 32 8.330 18.296 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.165 19.243 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.899 17.519 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.323 18.759 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.275 20.679 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.309 20.291 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.642 19.995 1.963 1.00 0.00 H new ATOM 468 N VAL A 33 3.576 18.207 0.180 1.00 0.00 N ATOM 469 CA VAL A 33 2.515 18.074 -0.804 1.00 0.00 C ATOM 470 C VAL A 33 2.178 19.454 -1.374 1.00 0.00 C ATOM 471 O VAL A 33 2.346 20.467 -0.697 1.00 0.00 O ATOM 472 CB VAL A 33 1.307 17.373 -0.180 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.481 17.223 1.332 1.00 0.00 C ATOM 474 CG2 VAL A 33 0.011 18.115 -0.512 1.00 0.00 C ATOM 0 H VAL A 33 3.404 18.908 0.901 1.00 0.00 H new ATOM 0 HA VAL A 33 2.841 17.450 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 33 1.240 16.374 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.608 16.722 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.373 16.632 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.586 18.209 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.832 17.596 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.064 19.132 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.123 18.147 -1.593 1.00 0.00 H new ATOM 484 N PRO A 34 1.697 19.448 -2.646 1.00 0.00 N ATOM 485 CA PRO A 34 1.335 20.687 -3.314 1.00 0.00 C ATOM 486 C PRO A 34 0.009 21.232 -2.778 1.00 0.00 C ATOM 487 O PRO A 34 -0.146 22.440 -2.609 1.00 0.00 O ATOM 488 CB PRO A 34 1.278 20.334 -4.791 1.00 0.00 C ATOM 489 CG PRO A 34 1.153 18.821 -4.854 1.00 0.00 C ATOM 490 CD PRO A 34 1.485 18.268 -3.478 1.00 0.00 C ATOM 0 HA PRO A 34 2.054 21.487 -3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.429 20.816 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.175 20.674 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.143 18.533 -5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.831 18.413 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.673 17.652 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.375 17.639 -3.508 1.00 0.00 H new ATOM 498 N LYS A 35 -0.912 20.314 -2.524 1.00 0.00 N ATOM 499 CA LYS A 35 -2.219 20.687 -2.011 1.00 0.00 C ATOM 500 C LYS A 35 -2.679 19.643 -0.991 1.00 0.00 C ATOM 501 O LYS A 35 -2.107 19.536 0.093 1.00 0.00 O ATOM 502 CB LYS A 35 -3.206 20.900 -3.160 1.00 0.00 C ATOM 503 CG LYS A 35 -2.992 22.263 -3.821 1.00 0.00 C ATOM 504 CD LYS A 35 -4.226 23.153 -3.655 1.00 0.00 C ATOM 505 CE LYS A 35 -4.333 24.161 -4.801 1.00 0.00 C ATOM 506 NZ LYS A 35 -5.672 24.790 -4.814 1.00 0.00 N ATOM 0 H LYS A 35 -0.779 19.312 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.164 21.642 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.084 20.110 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.227 20.830 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.124 22.753 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.777 22.127 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.123 22.535 -3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.172 23.683 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.566 24.927 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.151 23.660 -5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.728 25.471 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.399 24.057 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.832 25.285 -3.913 1.00 0.00 H new ATOM 520 N ARG A 36 -3.706 18.900 -1.374 1.00 0.00 N ATOM 521 CA ARG A 36 -4.249 17.869 -0.507 1.00 0.00 C ATOM 522 C ARG A 36 -4.115 16.495 -1.167 1.00 0.00 C ATOM 523 O ARG A 36 -4.111 16.390 -2.393 1.00 0.00 O ATOM 524 CB ARG A 36 -5.723 18.134 -0.191 1.00 0.00 C ATOM 525 CG ARG A 36 -5.870 18.948 1.096 1.00 0.00 C ATOM 526 CD ARG A 36 -7.177 18.606 1.814 1.00 0.00 C ATOM 527 NE ARG A 36 -7.256 19.340 3.097 1.00 0.00 N ATOM 528 CZ ARG A 36 -7.613 20.627 3.206 1.00 0.00 C ATOM 529 NH1 ARG A 36 -7.926 21.330 2.109 1.00 0.00 N ATOM 530 NH2 ARG A 36 -7.657 21.210 4.411 1.00 0.00 N ATOM 0 H ARG A 36 -4.177 18.992 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.681 17.886 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.186 18.670 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.253 17.187 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.025 18.748 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.847 20.012 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.027 18.867 1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.232 17.533 1.995 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.024 18.834 3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.892 20.885 1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.198 22.310 2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.419 20.674 5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.929 22.190 4.494 1.00 0.00 H new ATOM 544 N LEU A 37 -4.009 15.477 -0.326 1.00 0.00 N ATOM 545 CA LEU A 37 -3.875 14.115 -0.813 1.00 0.00 C ATOM 546 C LEU A 37 -5.207 13.659 -1.413 1.00 0.00 C ATOM 547 O LEU A 37 -6.159 13.386 -0.684 1.00 0.00 O ATOM 548 CB LEU A 37 -3.355 13.198 0.297 1.00 0.00 C ATOM 549 CG LEU A 37 -2.454 12.046 -0.153 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.406 11.951 -1.679 1.00 0.00 C ATOM 551 CD2 LEU A 37 -1.057 12.173 0.458 1.00 0.00 C ATOM 0 H LEU A 37 -4.013 15.568 0.690 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.133 14.067 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.804 13.806 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.211 12.779 0.826 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.883 11.113 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.759 11.124 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.411 11.779 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.014 12.882 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.436 11.342 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.606 13.114 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.132 12.154 1.545 1.00 0.00 H new ATOM 563 N ASP A 38 -5.231 13.591 -2.736 1.00 0.00 N ATOM 564 CA ASP A 38 -6.430 13.174 -3.442 1.00 0.00 C ATOM 565 C ASP A 38 -6.709 11.700 -3.137 1.00 0.00 C ATOM 566 O ASP A 38 -7.865 11.292 -3.038 1.00 0.00 O ATOM 567 CB ASP A 38 -6.256 13.319 -4.955 1.00 0.00 C ATOM 568 CG ASP A 38 -6.831 14.605 -5.552 1.00 0.00 C ATOM 569 OD1 ASP A 38 -8.076 14.713 -5.574 1.00 0.00 O ATOM 570 OD2 ASP A 38 -6.013 15.451 -5.972 1.00 0.00 O ATOM 0 H ASP A 38 -4.439 13.818 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.254 13.806 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.193 13.271 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.729 12.467 -5.443 1.00 0.00 H new ATOM 575 N GLY A 39 -5.630 10.944 -2.997 1.00 0.00 N ATOM 576 CA GLY A 39 -5.745 9.525 -2.706 1.00 0.00 C ATOM 577 C GLY A 39 -4.463 8.782 -3.088 1.00 0.00 C ATOM 578 O GLY A 39 -3.748 9.197 -3.999 1.00 0.00 O ATOM 0 H GLY A 39 -4.673 11.287 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.950 9.383 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.590 9.105 -3.252 1.00 0.00 H new ATOM 582 N TYR A 40 -4.211 7.695 -2.372 1.00 0.00 N ATOM 583 CA TYR A 40 -3.028 6.890 -2.625 1.00 0.00 C ATOM 584 C TYR A 40 -3.358 5.698 -3.524 1.00 0.00 C ATOM 585 O TYR A 40 -4.512 5.501 -3.902 1.00 0.00 O ATOM 586 CB TYR A 40 -2.571 6.373 -1.259 1.00 0.00 C ATOM 587 CG TYR A 40 -2.289 7.476 -0.238 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.333 8.075 0.437 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.990 7.874 0.008 1.00 0.00 C ATOM 590 CE1 TYR A 40 -3.067 9.114 1.399 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.725 8.912 0.969 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.776 9.481 1.617 1.00 0.00 C ATOM 593 OH TYR A 40 -1.525 10.462 2.525 1.00 0.00 O ATOM 0 H TYR A 40 -4.806 7.353 -1.617 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.261 7.481 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.337 5.709 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.669 5.776 -1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.349 7.765 0.244 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.173 7.406 -0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.875 9.591 1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.287 9.232 1.171 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.954 10.109 3.239 1.00 0.00 H new ATOM 603 N VAL A 41 -2.324 4.933 -3.843 1.00 0.00 N ATOM 604 CA VAL A 41 -2.489 3.765 -4.691 1.00 0.00 C ATOM 605 C VAL A 41 -1.692 2.598 -4.106 1.00 0.00 C ATOM 606 O VAL A 41 -0.464 2.583 -4.176 1.00 0.00 O ATOM 607 CB VAL A 41 -2.088 4.102 -6.129 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.105 2.851 -7.010 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.990 5.193 -6.708 1.00 0.00 C ATOM 0 H VAL A 41 -1.368 5.100 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.535 3.460 -4.722 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.068 4.486 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.816 3.118 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.403 2.118 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.108 2.425 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.684 5.414 -7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.024 4.849 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.906 6.095 -6.101 1.00 0.00 H new ATOM 619 N LEU A 42 -2.423 1.648 -3.541 1.00 0.00 N ATOM 620 CA LEU A 42 -1.800 0.480 -2.943 1.00 0.00 C ATOM 621 C LEU A 42 -1.560 -0.575 -4.026 1.00 0.00 C ATOM 622 O LEU A 42 -2.505 -1.053 -4.651 1.00 0.00 O ATOM 623 CB LEU A 42 -2.632 -0.028 -1.764 1.00 0.00 C ATOM 624 CG LEU A 42 -2.064 -1.233 -1.011 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.670 -0.927 -0.460 1.00 0.00 C ATOM 626 CD2 LEU A 42 -3.025 -1.697 0.085 1.00 0.00 C ATOM 0 H LEU A 42 -3.441 1.664 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.826 0.739 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.760 0.791 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.624 -0.289 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.958 -2.058 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.289 -1.800 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.001 -0.681 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.727 -0.082 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.597 -2.554 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.186 -0.886 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.977 -1.982 -0.363 1.00 0.00 H new ATOM 638 N GLU A 43 -0.292 -0.906 -4.214 1.00 0.00 N ATOM 639 CA GLU A 43 0.084 -1.895 -5.210 1.00 0.00 C ATOM 640 C GLU A 43 0.862 -3.039 -4.556 1.00 0.00 C ATOM 641 O GLU A 43 1.829 -2.803 -3.833 1.00 0.00 O ATOM 642 CB GLU A 43 0.895 -1.256 -6.339 1.00 0.00 C ATOM 643 CG GLU A 43 0.158 -1.369 -7.675 1.00 0.00 C ATOM 644 CD GLU A 43 -0.023 -2.834 -8.078 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.272 -3.698 -7.225 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.454 -3.056 -9.230 1.00 0.00 O ATOM 0 H GLU A 43 0.489 -0.507 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.826 -2.304 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.081 -0.207 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.867 -1.743 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.816 -0.886 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.716 -0.841 -8.448 1.00 0.00 H new ATOM 653 N GLY A 44 0.410 -4.253 -4.832 1.00 0.00 N ATOM 654 CA GLY A 44 1.052 -5.434 -4.279 1.00 0.00 C ATOM 655 C GLY A 44 1.326 -6.471 -5.371 1.00 0.00 C ATOM 656 O GLY A 44 1.013 -6.246 -6.539 1.00 0.00 O ATOM 0 H GLY A 44 -0.393 -4.445 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.988 -5.152 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.416 -5.871 -3.509 1.00 0.00 H new ATOM 660 N ARG A 45 1.907 -7.585 -4.951 1.00 0.00 N ATOM 661 CA ARG A 45 2.226 -8.658 -5.878 1.00 0.00 C ATOM 662 C ARG A 45 2.915 -9.809 -5.142 1.00 0.00 C ATOM 663 O ARG A 45 3.658 -9.584 -4.188 1.00 0.00 O ATOM 664 CB ARG A 45 3.139 -8.161 -7.002 1.00 0.00 C ATOM 665 CG ARG A 45 4.501 -7.732 -6.452 1.00 0.00 C ATOM 666 CD ARG A 45 5.575 -7.795 -7.540 1.00 0.00 C ATOM 667 NE ARG A 45 6.920 -7.793 -6.923 1.00 0.00 N ATOM 668 CZ ARG A 45 8.035 -8.192 -7.550 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.972 -8.628 -8.815 1.00 0.00 N ATOM 670 NH2 ARG A 45 9.213 -8.156 -6.912 1.00 0.00 N ATOM 0 H ARG A 45 2.165 -7.768 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 45 1.290 -9.009 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.274 -8.950 -7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.668 -7.321 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.435 -6.718 -6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.782 -8.379 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.443 -8.694 -8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.473 -6.944 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 45 7.004 -7.467 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.075 -8.656 -9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.821 -8.932 -9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.261 -7.825 -5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.061 -8.460 -7.390 1.00 0.00 H new ATOM 684 N GLN A 46 2.643 -11.017 -5.613 1.00 0.00 N ATOM 685 CA GLN A 46 3.227 -12.203 -5.011 1.00 0.00 C ATOM 686 C GLN A 46 4.095 -12.943 -6.031 1.00 0.00 C ATOM 687 O GLN A 46 3.952 -12.742 -7.236 1.00 0.00 O ATOM 688 CB GLN A 46 2.142 -13.122 -4.446 1.00 0.00 C ATOM 689 CG GLN A 46 1.302 -13.733 -5.568 1.00 0.00 C ATOM 690 CD GLN A 46 1.148 -15.244 -5.378 1.00 0.00 C ATOM 691 OE1 GLN A 46 2.113 -15.988 -5.307 1.00 0.00 O ATOM 692 NE2 GLN A 46 -0.114 -15.654 -5.299 1.00 0.00 N ATOM 0 H GLN A 46 2.026 -11.200 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 46 3.861 -11.891 -4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.603 -13.916 -3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.498 -12.558 -3.771 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.319 -13.263 -5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.772 -13.530 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.875 -14.978 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.321 -16.644 -5.171 1.00 0.00 H new ATOM 736 N GLY A 50 3.107 -9.831 -11.643 1.00 0.00 N ATOM 737 CA GLY A 50 2.699 -8.508 -12.084 1.00 0.00 C ATOM 738 C GLY A 50 2.042 -7.728 -10.943 1.00 0.00 C ATOM 739 O GLY A 50 1.256 -8.286 -10.178 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.566 -7.960 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.002 -8.597 -12.917 1.00 0.00 H new ATOM 743 N TRP A 51 2.387 -6.452 -10.865 1.00 0.00 N ATOM 744 CA TRP A 51 1.840 -5.590 -9.831 1.00 0.00 C ATOM 745 C TRP A 51 0.325 -5.514 -10.032 1.00 0.00 C ATOM 746 O TRP A 51 -0.150 -5.395 -11.160 1.00 0.00 O ATOM 747 CB TRP A 51 2.515 -4.217 -9.847 1.00 0.00 C ATOM 748 CG TRP A 51 3.927 -4.212 -9.258 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.095 -4.214 -9.915 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.274 -4.201 -7.857 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.165 -4.207 -9.044 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.650 -4.199 -7.753 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.453 -4.194 -6.716 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.326 -4.189 -6.527 1.00 0.00 C ATOM 755 CZ3 TRP A 51 4.144 -4.185 -5.498 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.528 -4.183 -5.376 1.00 0.00 C ATOM 0 H TRP A 51 3.039 -5.993 -11.501 1.00 0.00 H new ATOM 0 HA TRP A 51 2.040 -6.000 -8.841 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.560 -3.857 -10.875 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.897 -3.513 -9.290 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.187 -4.220 -10.991 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.152 -4.208 -9.300 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.375 -4.195 -6.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.405 -4.186 -6.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.560 -4.179 -4.590 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.986 -4.177 -4.398 1.00 0.00 H new ATOM 767 N GLU A 52 -0.392 -5.584 -8.919 1.00 0.00 N ATOM 768 CA GLU A 52 -1.843 -5.525 -8.959 1.00 0.00 C ATOM 769 C GLU A 52 -2.351 -4.377 -8.084 1.00 0.00 C ATOM 770 O GLU A 52 -2.031 -4.307 -6.898 1.00 0.00 O ATOM 771 CB GLU A 52 -2.459 -6.857 -8.528 1.00 0.00 C ATOM 772 CG GLU A 52 -1.758 -8.032 -9.214 1.00 0.00 C ATOM 773 CD GLU A 52 -1.606 -9.215 -8.255 1.00 0.00 C ATOM 774 OE1 GLU A 52 -1.127 -8.972 -7.126 1.00 0.00 O ATOM 775 OE2 GLU A 52 -1.972 -10.335 -8.673 1.00 0.00 O ATOM 0 H GLU A 52 0.005 -5.681 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.151 -5.337 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.382 -6.964 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.521 -6.868 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.329 -8.340 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.776 -7.718 -9.568 1.00 0.00 H new ATOM 782 N VAL A 53 -3.135 -3.506 -8.702 1.00 0.00 N ATOM 783 CA VAL A 53 -3.690 -2.365 -7.994 1.00 0.00 C ATOM 784 C VAL A 53 -4.623 -2.862 -6.888 1.00 0.00 C ATOM 785 O VAL A 53 -5.809 -3.086 -7.124 1.00 0.00 O ATOM 786 CB VAL A 53 -4.383 -1.423 -8.981 1.00 0.00 C ATOM 787 CG1 VAL A 53 -5.254 -0.403 -8.246 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.362 -0.725 -9.882 1.00 0.00 C ATOM 0 H VAL A 53 -3.399 -3.567 -9.685 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.897 -1.789 -7.517 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.034 -2.023 -9.616 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.735 0.254 -8.971 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.016 -0.925 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.632 0.190 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.881 -0.061 -10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.673 -0.143 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.803 -1.472 -10.446 1.00 0.00 H new ATOM 798 N LEU A 54 -4.051 -3.020 -5.703 1.00 0.00 N ATOM 799 CA LEU A 54 -4.816 -3.486 -4.559 1.00 0.00 C ATOM 800 C LEU A 54 -5.882 -2.446 -4.206 1.00 0.00 C ATOM 801 O LEU A 54 -6.997 -2.800 -3.826 1.00 0.00 O ATOM 802 CB LEU A 54 -3.884 -3.830 -3.395 1.00 0.00 C ATOM 803 CG LEU A 54 -2.637 -4.641 -3.753 1.00 0.00 C ATOM 804 CD1 LEU A 54 -1.984 -5.225 -2.498 1.00 0.00 C ATOM 805 CD2 LEU A 54 -2.963 -5.723 -4.785 1.00 0.00 C ATOM 0 H LEU A 54 -3.067 -2.834 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.340 -4.411 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.566 -2.900 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.454 -4.386 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.912 -3.968 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.100 -5.797 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.694 -4.415 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.692 -5.879 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.059 -6.284 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.714 -6.400 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.348 -5.257 -5.692 1.00 0.00 H new ATOM 817 N ASP A 55 -5.501 -1.185 -4.343 1.00 0.00 N ATOM 818 CA ASP A 55 -6.410 -0.092 -4.044 1.00 0.00 C ATOM 819 C ASP A 55 -5.948 1.167 -4.781 1.00 0.00 C ATOM 820 O ASP A 55 -4.996 1.823 -4.360 1.00 0.00 O ATOM 821 CB ASP A 55 -6.426 0.217 -2.545 1.00 0.00 C ATOM 822 CG ASP A 55 -7.800 0.567 -1.971 1.00 0.00 C ATOM 823 OD1 ASP A 55 -8.460 1.443 -2.572 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.160 -0.049 -0.945 1.00 0.00 O ATOM 0 H ASP A 55 -4.575 -0.896 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.409 -0.389 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.034 -0.646 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.747 1.048 -2.353 1.00 0.00 H new ATOM 829 N PRO A 56 -6.662 1.474 -5.897 1.00 0.00 N ATOM 830 CA PRO A 56 -6.334 2.643 -6.696 1.00 0.00 C ATOM 831 C PRO A 56 -6.797 3.927 -6.005 1.00 0.00 C ATOM 832 O PRO A 56 -6.105 4.943 -6.049 1.00 0.00 O ATOM 833 CB PRO A 56 -7.018 2.408 -8.033 1.00 0.00 C ATOM 834 CG PRO A 56 -8.079 1.350 -7.779 1.00 0.00 C ATOM 835 CD PRO A 56 -7.795 0.720 -6.425 1.00 0.00 C ATOM 0 HA PRO A 56 -5.260 2.774 -6.830 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.466 3.328 -8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.303 2.071 -8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.073 1.796 -7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.059 0.594 -8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.660 0.791 -5.766 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.555 -0.339 -6.523 1.00 0.00 H new ATOM 843 N ALA A 57 -7.963 3.839 -5.383 1.00 0.00 N ATOM 844 CA ALA A 57 -8.526 4.982 -4.684 1.00 0.00 C ATOM 845 C ALA A 57 -8.487 4.722 -3.176 1.00 0.00 C ATOM 846 O ALA A 57 -9.245 3.899 -2.665 1.00 0.00 O ATOM 847 CB ALA A 57 -9.945 5.244 -5.193 1.00 0.00 C ATOM 0 H ALA A 57 -8.534 2.994 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.938 5.879 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.367 6.101 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.915 5.451 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.565 4.366 -5.011 1.00 0.00 H new ATOM 853 N VAL A 58 -7.595 5.438 -2.508 1.00 0.00 N ATOM 854 CA VAL A 58 -7.447 5.295 -1.069 1.00 0.00 C ATOM 855 C VAL A 58 -7.551 6.672 -0.411 1.00 0.00 C ATOM 856 O VAL A 58 -6.888 7.618 -0.834 1.00 0.00 O ATOM 857 CB VAL A 58 -6.135 4.575 -0.747 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.839 4.621 0.753 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.161 3.133 -1.258 1.00 0.00 C ATOM 0 H VAL A 58 -6.967 6.119 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.249 4.679 -0.661 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.330 5.098 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.902 4.103 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.757 5.659 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.648 4.134 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.217 2.644 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.981 2.594 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.303 3.132 -2.339 1.00 0.00 H new ATOM 869 N ALA A 59 -8.388 6.741 0.614 1.00 0.00 N ATOM 870 CA ALA A 59 -8.587 7.986 1.335 1.00 0.00 C ATOM 871 C ALA A 59 -7.271 8.765 1.372 1.00 0.00 C ATOM 872 O ALA A 59 -6.194 8.171 1.364 1.00 0.00 O ATOM 873 CB ALA A 59 -9.127 7.685 2.735 1.00 0.00 C ATOM 0 H ALA A 59 -8.936 5.954 0.962 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.324 8.609 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.276 8.619 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.077 7.157 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.413 7.063 3.275 1.00 0.00 H new ATOM 879 N GLY A 60 -7.401 10.083 1.413 1.00 0.00 N ATOM 880 CA GLY A 60 -6.235 10.949 1.451 1.00 0.00 C ATOM 881 C GLY A 60 -5.872 11.315 2.892 1.00 0.00 C ATOM 882 O GLY A 60 -4.904 12.037 3.127 1.00 0.00 O ATOM 0 H GLY A 60 -8.296 10.572 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.391 10.450 0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.432 11.856 0.880 1.00 0.00 H new ATOM 886 N THR A 61 -6.668 10.802 3.818 1.00 0.00 N ATOM 887 CA THR A 61 -6.442 11.065 5.229 1.00 0.00 C ATOM 888 C THR A 61 -6.261 9.753 5.995 1.00 0.00 C ATOM 889 O THR A 61 -6.631 9.657 7.164 1.00 0.00 O ATOM 890 CB THR A 61 -7.606 11.914 5.743 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.766 11.174 5.371 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.748 13.235 4.985 1.00 0.00 C ATOM 0 H THR A 61 -7.471 10.205 3.619 1.00 0.00 H new ATOM 0 HA THR A 61 -5.519 11.624 5.384 1.00 0.00 H new ATOM 0 HB THR A 61 -7.464 12.119 6.804 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.568 11.652 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.589 13.798 5.390 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.834 13.818 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.923 13.031 3.929 1.00 0.00 H new ATOM 900 N GLU A 62 -5.693 8.775 5.304 1.00 0.00 N ATOM 901 CA GLU A 62 -5.459 7.473 5.904 1.00 0.00 C ATOM 902 C GLU A 62 -3.969 7.282 6.194 1.00 0.00 C ATOM 903 O GLU A 62 -3.137 8.052 5.717 1.00 0.00 O ATOM 904 CB GLU A 62 -5.992 6.353 5.009 1.00 0.00 C ATOM 905 CG GLU A 62 -6.039 6.796 3.545 1.00 0.00 C ATOM 906 CD GLU A 62 -4.632 7.073 3.011 1.00 0.00 C ATOM 907 OE1 GLU A 62 -4.019 8.045 3.503 1.00 0.00 O ATOM 908 OE2 GLU A 62 -4.201 6.307 2.122 1.00 0.00 O ATOM 0 H GLU A 62 -5.388 8.859 4.334 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.001 7.427 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.357 5.472 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.990 6.064 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.515 6.022 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.650 7.694 3.452 1.00 0.00 H new ATOM 915 N THR A 63 -3.678 6.252 6.975 1.00 0.00 N ATOM 916 CA THR A 63 -2.303 5.950 7.334 1.00 0.00 C ATOM 917 C THR A 63 -2.067 4.439 7.317 1.00 0.00 C ATOM 918 O THR A 63 -1.030 3.963 7.778 1.00 0.00 O ATOM 919 CB THR A 63 -2.016 6.595 8.691 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.249 6.481 9.397 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.785 8.104 8.586 1.00 0.00 C ATOM 0 H THR A 63 -4.371 5.616 7.369 1.00 0.00 H new ATOM 0 HA THR A 63 -1.604 6.364 6.607 1.00 0.00 H new ATOM 0 HB THR A 63 -1.140 6.124 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.281 5.619 9.863 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.586 8.511 9.577 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.932 8.297 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.673 8.580 8.170 1.00 0.00 H new ATOM 929 N GLU A 64 -3.045 3.725 6.780 1.00 0.00 N ATOM 930 CA GLU A 64 -2.957 2.277 6.697 1.00 0.00 C ATOM 931 C GLU A 64 -4.202 1.708 6.013 1.00 0.00 C ATOM 932 O GLU A 64 -5.197 2.410 5.843 1.00 0.00 O ATOM 933 CB GLU A 64 -2.763 1.659 8.083 1.00 0.00 C ATOM 934 CG GLU A 64 -3.683 2.319 9.111 1.00 0.00 C ATOM 935 CD GLU A 64 -2.877 2.906 10.272 1.00 0.00 C ATOM 936 OE1 GLU A 64 -1.933 3.671 9.977 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.223 2.577 11.427 1.00 0.00 O ATOM 0 H GLU A 64 -3.903 4.122 6.398 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.085 2.020 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.968 0.589 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.724 1.772 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.264 3.107 8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.394 1.586 9.491 1.00 0.00 H new ATOM 944 N LEU A 65 -4.105 0.441 5.638 1.00 0.00 N ATOM 945 CA LEU A 65 -5.211 -0.231 4.977 1.00 0.00 C ATOM 946 C LEU A 65 -5.043 -1.745 5.122 1.00 0.00 C ATOM 947 O LEU A 65 -3.926 -2.237 5.281 1.00 0.00 O ATOM 948 CB LEU A 65 -5.331 0.238 3.525 1.00 0.00 C ATOM 949 CG LEU A 65 -6.221 -0.613 2.617 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.683 -0.171 2.712 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.709 -0.595 1.175 1.00 0.00 C ATOM 0 H LEU A 65 -3.277 -0.138 5.779 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.156 0.032 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.715 1.258 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.332 0.273 3.091 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.174 -1.646 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.294 -0.792 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.029 -0.278 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.768 0.872 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.359 -1.207 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.707 0.429 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.695 -0.994 1.144 1.00 0.00 H new ATOM 963 N LEU A 66 -6.168 -2.442 5.061 1.00 0.00 N ATOM 964 CA LEU A 66 -6.159 -3.889 5.184 1.00 0.00 C ATOM 965 C LEU A 66 -6.045 -4.514 3.791 1.00 0.00 C ATOM 966 O LEU A 66 -6.553 -3.962 2.816 1.00 0.00 O ATOM 967 CB LEU A 66 -7.379 -4.367 5.974 1.00 0.00 C ATOM 968 CG LEU A 66 -7.272 -5.763 6.593 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.170 -5.810 7.653 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.622 -6.221 7.149 1.00 0.00 C ATOM 0 H LEU A 66 -7.092 -2.031 4.928 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.290 -4.218 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.573 -3.651 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.245 -4.350 5.312 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.993 -6.465 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.115 -6.813 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.214 -5.557 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.395 -5.094 8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.518 -7.216 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.955 -5.523 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.356 -6.251 6.344 1.00 0.00 H new ATOM 982 N VAL A 67 -5.376 -5.656 3.743 1.00 0.00 N ATOM 983 CA VAL A 67 -5.189 -6.362 2.487 1.00 0.00 C ATOM 984 C VAL A 67 -5.326 -7.867 2.727 1.00 0.00 C ATOM 985 O VAL A 67 -4.358 -8.612 2.589 1.00 0.00 O ATOM 986 CB VAL A 67 -3.845 -5.976 1.865 1.00 0.00 C ATOM 987 CG1 VAL A 67 -3.920 -4.594 1.213 1.00 0.00 C ATOM 988 CG2 VAL A 67 -2.724 -6.032 2.905 1.00 0.00 C ATOM 0 H VAL A 67 -4.956 -6.110 4.554 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.959 -6.076 1.770 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.615 -6.702 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.952 -4.344 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.678 -4.602 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.183 -3.851 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.780 -5.753 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.946 -5.339 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.647 -7.044 3.303 1.00 0.00 H new ATOM 998 N PRO A 68 -6.570 -8.279 3.091 1.00 0.00 N ATOM 999 CA PRO A 68 -6.847 -9.682 3.351 1.00 0.00 C ATOM 1000 C PRO A 68 -6.928 -10.476 2.046 1.00 0.00 C ATOM 1001 O PRO A 68 -7.020 -11.702 2.066 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.151 -9.687 4.131 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.794 -8.333 3.878 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.741 -7.425 3.264 1.00 0.00 C ATOM 0 HA PRO A 68 -6.055 -10.169 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.801 -10.496 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.969 -9.840 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.648 -8.435 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.168 -7.908 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.077 -7.017 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.521 -6.578 3.914 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.890 -9.744 0.942 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.958 -10.365 -0.370 1.00 0.00 C ATOM 1014 C GLY A 69 -5.734 -11.247 -0.624 1.00 0.00 C ATOM 1015 O GLY A 69 -5.751 -12.099 -1.511 1.00 0.00 O ATOM 0 H GLY A 69 -6.813 -8.727 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.865 -10.965 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.021 -9.594 -1.138 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.700 -11.011 0.172 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.470 -11.774 0.045 1.00 0.00 C ATOM 1021 C LEU A 70 -3.807 -13.259 -0.101 1.00 0.00 C ATOM 1022 O LEU A 70 -4.953 -13.660 0.094 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.528 -11.469 1.211 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.914 -10.067 1.229 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.423 -10.125 1.566 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.176 -9.337 -0.090 1.00 0.00 C ATOM 0 H LEU A 70 -4.689 -10.303 0.906 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.931 -11.480 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.075 -11.616 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.718 -12.199 1.198 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.399 -9.492 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.012 -9.116 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.289 -10.577 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.096 -10.724 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.729 -8.343 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.735 -9.901 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.251 -9.246 -0.248 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.789 -14.034 -0.443 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.963 -15.466 -0.617 1.00 0.00 C ATOM 1040 C ILE A 71 -2.106 -16.208 0.410 1.00 0.00 C ATOM 1041 O ILE A 71 -1.285 -15.599 1.095 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.675 -15.868 -2.065 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.396 -14.942 -3.046 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.023 -17.339 -2.304 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.769 -15.504 -3.422 1.00 0.00 C ATOM 0 H ILE A 71 -1.840 -13.697 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.999 -15.750 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.606 -15.756 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.513 -13.954 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.792 -14.817 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.809 -17.600 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.426 -17.966 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.082 -17.500 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.261 -14.827 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.647 -16.481 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.379 -15.605 -2.524 1.00 0.00 H new ATOM 1057 N LYS A 72 -2.326 -17.512 0.485 1.00 0.00 N ATOM 1058 CA LYS A 72 -1.583 -18.344 1.417 1.00 0.00 C ATOM 1059 C LYS A 72 -0.460 -19.064 0.668 1.00 0.00 C ATOM 1060 O LYS A 72 -0.624 -19.443 -0.491 1.00 0.00 O ATOM 1061 CB LYS A 72 -2.529 -19.289 2.162 1.00 0.00 C ATOM 1062 CG LYS A 72 -3.152 -20.307 1.206 1.00 0.00 C ATOM 1063 CD LYS A 72 -4.661 -20.089 1.081 1.00 0.00 C ATOM 1064 CE LYS A 72 -5.434 -21.102 1.928 1.00 0.00 C ATOM 1065 NZ LYS A 72 -6.825 -21.233 1.439 1.00 0.00 N ATOM 0 H LYS A 72 -3.008 -18.013 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.112 -17.730 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.983 -19.810 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.316 -18.713 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.686 -20.222 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.955 -21.317 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.913 -19.077 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.960 -20.180 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.936 -22.071 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.437 -20.785 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.335 -21.924 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.302 -20.311 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.817 -21.556 0.451 1.00 0.00 H new ATOM 1079 N ASP A 73 0.658 -19.230 1.360 1.00 0.00 N ATOM 1080 CA ASP A 73 1.808 -19.897 0.775 1.00 0.00 C ATOM 1081 C ASP A 73 2.416 -19.002 -0.306 1.00 0.00 C ATOM 1082 O ASP A 73 2.880 -19.492 -1.334 1.00 0.00 O ATOM 1083 CB ASP A 73 1.404 -21.220 0.122 1.00 0.00 C ATOM 1084 CG ASP A 73 2.323 -22.403 0.434 1.00 0.00 C ATOM 1085 OD1 ASP A 73 3.450 -22.137 0.905 1.00 0.00 O ATOM 1086 OD2 ASP A 73 1.878 -23.546 0.195 1.00 0.00 O ATOM 0 H ASP A 73 0.791 -18.914 2.321 1.00 0.00 H new ATOM 0 HA ASP A 73 2.526 -20.093 1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.392 -21.471 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.372 -21.080 -0.958 1.00 0.00 H new ATOM 1091 N VAL A 74 2.395 -17.705 -0.037 1.00 0.00 N ATOM 1092 CA VAL A 74 2.938 -16.737 -0.974 1.00 0.00 C ATOM 1093 C VAL A 74 3.379 -15.486 -0.210 1.00 0.00 C ATOM 1094 O VAL A 74 2.977 -15.279 0.934 1.00 0.00 O ATOM 1095 CB VAL A 74 1.914 -16.438 -2.070 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.440 -17.727 -2.744 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.731 -15.643 -1.514 1.00 0.00 C ATOM 0 H VAL A 74 2.010 -17.302 0.817 1.00 0.00 H new ATOM 0 HA VAL A 74 3.819 -17.141 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 74 2.403 -15.825 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.713 -17.486 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.292 -18.238 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.977 -18.377 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.018 -15.444 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.243 -16.219 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.088 -14.699 -1.103 1.00 0.00 H new ATOM 1107 N LEU A 75 4.198 -14.684 -0.874 1.00 0.00 N ATOM 1108 CA LEU A 75 4.697 -13.459 -0.273 1.00 0.00 C ATOM 1109 C LEU A 75 4.280 -12.266 -1.134 1.00 0.00 C ATOM 1110 O LEU A 75 4.948 -11.938 -2.113 1.00 0.00 O ATOM 1111 CB LEU A 75 6.207 -13.552 -0.042 1.00 0.00 C ATOM 1112 CG LEU A 75 6.826 -12.438 0.805 1.00 0.00 C ATOM 1113 CD1 LEU A 75 5.927 -11.201 0.824 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.147 -12.936 2.216 1.00 0.00 C ATOM 0 H LEU A 75 4.529 -14.859 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 75 4.255 -13.311 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.423 -14.507 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.703 -13.562 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 75 7.770 -12.143 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.390 -10.424 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.793 -10.833 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.957 -11.463 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.586 -12.125 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.231 -13.274 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.854 -13.764 2.158 1.00 0.00 H new ATOM 1126 N TYR A 76 3.176 -11.649 -0.738 1.00 0.00 N ATOM 1127 CA TYR A 76 2.661 -10.499 -1.462 1.00 0.00 C ATOM 1128 C TYR A 76 3.364 -9.214 -1.020 1.00 0.00 C ATOM 1129 O TYR A 76 3.588 -9.002 0.170 1.00 0.00 O ATOM 1130 CB TYR A 76 1.177 -10.404 -1.102 1.00 0.00 C ATOM 1131 CG TYR A 76 0.243 -11.018 -2.147 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.090 -12.355 -2.074 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.267 -10.234 -3.162 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -0.970 -12.932 -3.057 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.146 -10.811 -4.145 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.454 -12.132 -4.044 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.285 -12.677 -4.973 1.00 0.00 O ATOM 0 H TYR A 76 2.624 -11.924 0.075 1.00 0.00 H new ATOM 0 HA TYR A 76 2.825 -10.615 -2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.013 -10.901 -0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.913 -9.355 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.309 -12.969 -1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.006 -9.187 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.239 -13.977 -3.011 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.552 -10.209 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.553 -11.988 -5.616 1.00 0.00 H new ATOM 1147 N GLU A 77 3.692 -8.389 -2.004 1.00 0.00 N ATOM 1148 CA GLU A 77 4.365 -7.130 -1.732 1.00 0.00 C ATOM 1149 C GLU A 77 3.341 -6.003 -1.578 1.00 0.00 C ATOM 1150 O GLU A 77 2.136 -6.241 -1.648 1.00 0.00 O ATOM 1151 CB GLU A 77 5.380 -6.803 -2.829 1.00 0.00 C ATOM 1152 CG GLU A 77 6.773 -7.318 -2.459 1.00 0.00 C ATOM 1153 CD GLU A 77 7.514 -7.830 -3.695 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.348 -9.031 -3.999 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.230 -7.009 -4.308 1.00 0.00 O ATOM 0 H GLU A 77 3.504 -8.568 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 77 4.912 -7.228 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.061 -7.251 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.417 -5.725 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.348 -6.519 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.685 -8.119 -1.725 1.00 0.00 H new ATOM 1162 N PHE A 78 3.859 -4.801 -1.371 1.00 0.00 N ATOM 1163 CA PHE A 78 3.005 -3.637 -1.207 1.00 0.00 C ATOM 1164 C PHE A 78 3.773 -2.348 -1.502 1.00 0.00 C ATOM 1165 O PHE A 78 4.960 -2.244 -1.196 1.00 0.00 O ATOM 1166 CB PHE A 78 2.546 -3.621 0.253 1.00 0.00 C ATOM 1167 CG PHE A 78 1.643 -4.796 0.634 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.480 -5.006 -0.039 1.00 0.00 C ATOM 1169 CD2 PHE A 78 2.003 -5.630 1.646 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.358 -6.096 0.315 1.00 0.00 C ATOM 1171 CE2 PHE A 78 1.165 -6.720 2.000 1.00 0.00 C ATOM 1172 CZ PHE A 78 0.002 -6.930 1.328 1.00 0.00 C ATOM 0 H PHE A 78 4.859 -4.608 -1.313 1.00 0.00 H new ATOM 0 HA PHE A 78 2.163 -3.693 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.424 -3.626 0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.014 -2.690 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.194 -4.344 -0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.927 -5.463 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.281 -6.263 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.452 -7.383 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.636 -7.759 1.598 1.00 0.00 H new ATOM 1182 N ARG A 79 3.065 -1.397 -2.094 1.00 0.00 N ATOM 1183 CA ARG A 79 3.665 -0.118 -2.434 1.00 0.00 C ATOM 1184 C ARG A 79 2.589 0.966 -2.526 1.00 0.00 C ATOM 1185 O ARG A 79 1.646 0.844 -3.306 1.00 0.00 O ATOM 1186 CB ARG A 79 4.414 -0.198 -3.766 1.00 0.00 C ATOM 1187 CG ARG A 79 3.439 -0.188 -4.945 1.00 0.00 C ATOM 1188 CD ARG A 79 4.123 -0.669 -6.226 1.00 0.00 C ATOM 1189 NE ARG A 79 3.685 0.157 -7.374 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.957 -0.132 -8.654 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.667 -1.227 -8.957 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.519 0.675 -9.630 1.00 0.00 N ATOM 0 H ARG A 79 2.081 -1.487 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 79 4.374 0.135 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.102 0.643 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.016 -1.106 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.586 -0.829 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.051 0.820 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.206 -0.608 -6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.880 -1.716 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 79 3.142 0.998 -7.178 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.000 -1.841 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.874 -1.447 -9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.979 1.509 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.726 0.456 -10.604 1.00 0.00 H new ATOM 1206 N LEU A 80 2.767 2.001 -1.719 1.00 0.00 N ATOM 1207 CA LEU A 80 1.823 3.105 -1.699 1.00 0.00 C ATOM 1208 C LEU A 80 2.408 4.285 -2.478 1.00 0.00 C ATOM 1209 O LEU A 80 3.587 4.605 -2.333 1.00 0.00 O ATOM 1210 CB LEU A 80 1.432 3.452 -0.261 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.060 3.669 -0.005 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.892 2.538 -0.613 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.340 3.847 1.489 1.00 0.00 C ATOM 0 H LEU A 80 3.551 2.098 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 80 0.896 2.821 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.780 2.652 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.966 4.356 0.031 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.360 4.592 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.949 2.717 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.724 2.501 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.596 1.588 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.408 4.000 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.019 2.956 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.208 4.713 1.861 1.00 0.00 H new ATOM 1225 N VAL A 81 1.558 4.899 -3.287 1.00 0.00 N ATOM 1226 CA VAL A 81 1.976 6.036 -4.089 1.00 0.00 C ATOM 1227 C VAL A 81 0.908 7.129 -4.013 1.00 0.00 C ATOM 1228 O VAL A 81 -0.164 6.997 -4.601 1.00 0.00 O ATOM 1229 CB VAL A 81 2.270 5.586 -5.522 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.738 4.174 -5.773 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.695 6.577 -6.536 1.00 0.00 C ATOM 0 H VAL A 81 0.581 4.631 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 81 2.902 6.459 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 81 3.352 5.564 -5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.960 3.879 -6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.215 3.478 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.659 4.158 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.918 6.234 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.615 6.645 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.142 7.559 -6.379 1.00 0.00 H new ATOM 1241 N ALA A 82 1.239 8.185 -3.284 1.00 0.00 N ATOM 1242 CA ALA A 82 0.321 9.300 -3.123 1.00 0.00 C ATOM 1243 C ALA A 82 0.283 10.114 -4.418 1.00 0.00 C ATOM 1244 O ALA A 82 1.302 10.269 -5.088 1.00 0.00 O ATOM 1245 CB ALA A 82 0.747 10.142 -1.918 1.00 0.00 C ATOM 0 H ALA A 82 2.130 8.292 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.690 8.941 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.059 10.978 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.730 9.525 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.756 10.523 -2.078 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.904 10.612 -4.731 1.00 0.00 N ATOM 1252 CA PHE A 83 -1.089 11.407 -5.933 1.00 0.00 C ATOM 1253 C PHE A 83 -2.123 12.511 -5.707 1.00 0.00 C ATOM 1254 O PHE A 83 -3.194 12.261 -5.156 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.602 10.459 -7.020 1.00 0.00 C ATOM 1256 CG PHE A 83 -3.014 9.929 -6.768 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.086 10.755 -6.904 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -3.199 8.630 -6.407 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.397 10.263 -6.670 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.510 8.138 -6.173 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.581 8.964 -6.309 1.00 0.00 C ATOM 0 H PHE A 83 -1.748 10.480 -4.173 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.148 11.880 -6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.586 10.979 -7.978 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.918 9.615 -7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.940 11.786 -7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.348 7.973 -6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.248 10.919 -6.778 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.656 7.107 -5.887 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.578 8.589 -6.131 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.766 13.710 -6.145 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.650 14.854 -5.997 1.00 0.00 C ATOM 1273 C ALA A 84 -2.920 15.465 -7.373 1.00 0.00 C ATOM 1274 O ALA A 84 -2.044 15.471 -8.237 1.00 0.00 O ATOM 1275 CB ALA A 84 -2.027 15.858 -5.025 1.00 0.00 C ATOM 0 H ALA A 84 -0.877 13.914 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.609 14.547 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.690 16.716 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.882 15.383 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.064 16.191 -5.413 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.136 15.965 -7.535 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.533 16.578 -8.792 1.00 0.00 C ATOM 1283 C GLY A 85 -3.942 15.819 -9.982 1.00 0.00 C ATOM 1284 O GLY A 85 -4.123 14.608 -10.103 1.00 0.00 O ATOM 0 H GLY A 85 -4.860 15.958 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.620 16.590 -8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.200 17.616 -8.816 1.00 0.00 H new ATOM 1288 N SER A 86 -3.247 16.562 -10.830 1.00 0.00 N ATOM 1289 CA SER A 86 -2.628 15.975 -12.007 1.00 0.00 C ATOM 1290 C SER A 86 -1.187 15.567 -11.691 1.00 0.00 C ATOM 1291 O SER A 86 -0.326 15.588 -12.570 1.00 0.00 O ATOM 1292 CB SER A 86 -2.658 16.947 -13.188 1.00 0.00 C ATOM 1293 OG SER A 86 -3.010 16.296 -14.406 1.00 0.00 O ATOM 0 H SER A 86 -3.098 17.566 -10.726 1.00 0.00 H new ATOM 0 HA SER A 86 -3.197 15.089 -12.287 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.373 17.744 -12.983 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.680 17.416 -13.297 1.00 0.00 H new ATOM 0 HG SER A 86 -3.020 16.950 -15.136 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.970 15.206 -10.436 1.00 0.00 N ATOM 1300 CA PHE A 87 0.352 14.794 -9.994 1.00 0.00 C ATOM 1301 C PHE A 87 0.330 13.359 -9.464 1.00 0.00 C ATOM 1302 O PHE A 87 -0.727 12.843 -9.102 1.00 0.00 O ATOM 1303 CB PHE A 87 0.759 15.738 -8.860 1.00 0.00 C ATOM 1304 CG PHE A 87 0.689 17.221 -9.230 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.513 17.801 -9.487 1.00 0.00 C ATOM 1306 CD2 PHE A 87 1.830 17.958 -9.301 1.00 0.00 C ATOM 1307 CE1 PHE A 87 -0.578 19.178 -9.830 1.00 0.00 C ATOM 1308 CE2 PHE A 87 1.765 19.334 -9.644 1.00 0.00 C ATOM 1309 CZ PHE A 87 0.562 19.915 -9.902 1.00 0.00 C ATOM 0 H PHE A 87 -1.687 15.190 -9.710 1.00 0.00 H new ATOM 0 HA PHE A 87 1.053 14.834 -10.828 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.113 15.557 -8.001 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.776 15.499 -8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.419 17.215 -9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.785 17.497 -9.097 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.533 19.639 -10.034 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.671 19.920 -9.700 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.513 20.962 -10.164 1.00 0.00 H new ATOM 1319 N VAL A 88 1.509 12.755 -9.434 1.00 0.00 N ATOM 1320 CA VAL A 88 1.638 11.390 -8.954 1.00 0.00 C ATOM 1321 C VAL A 88 2.973 11.235 -8.222 1.00 0.00 C ATOM 1322 O VAL A 88 4.026 11.559 -8.770 1.00 0.00 O ATOM 1323 CB VAL A 88 1.477 10.409 -10.117 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.207 9.094 -9.831 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -0.001 10.160 -10.423 1.00 0.00 C ATOM 0 H VAL A 88 2.383 13.186 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 88 0.847 11.160 -8.240 1.00 0.00 H new ATOM 0 HB VAL A 88 1.931 10.859 -11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.076 8.415 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.269 9.292 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.796 8.638 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.088 9.459 -11.253 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.489 9.742 -9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.481 11.101 -10.691 1.00 0.00 H new ATOM 1335 N SER A 89 2.886 10.740 -6.996 1.00 0.00 N ATOM 1336 CA SER A 89 4.073 10.539 -6.184 1.00 0.00 C ATOM 1337 C SER A 89 4.613 9.122 -6.388 1.00 0.00 C ATOM 1338 O SER A 89 3.877 8.228 -6.802 1.00 0.00 O ATOM 1339 CB SER A 89 3.777 10.787 -4.704 1.00 0.00 C ATOM 1340 OG SER A 89 3.342 9.602 -4.041 1.00 0.00 O ATOM 0 H SER A 89 2.011 10.472 -6.546 1.00 0.00 H new ATOM 0 HA SER A 89 4.829 11.258 -6.500 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.673 11.169 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.011 11.557 -4.611 1.00 0.00 H new ATOM 0 HG SER A 89 2.603 9.199 -4.543 1.00 0.00 H new ATOM 1346 N ASP A 90 5.893 8.962 -6.087 1.00 0.00 N ATOM 1347 CA ASP A 90 6.539 7.668 -6.232 1.00 0.00 C ATOM 1348 C ASP A 90 5.989 6.707 -5.177 1.00 0.00 C ATOM 1349 O ASP A 90 5.513 7.137 -4.127 1.00 0.00 O ATOM 1350 CB ASP A 90 8.051 7.782 -6.025 1.00 0.00 C ATOM 1351 CG ASP A 90 8.831 8.306 -7.233 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.636 9.495 -7.562 1.00 0.00 O ATOM 1353 OD2 ASP A 90 9.606 7.504 -7.799 1.00 0.00 O ATOM 0 H ASP A 90 6.500 9.706 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 90 6.339 7.302 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.238 8.441 -5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.441 6.800 -5.758 1.00 0.00 H new ATOM 1358 N PRO A 91 6.074 5.389 -5.501 1.00 0.00 N ATOM 1359 CA PRO A 91 5.590 4.362 -4.593 1.00 0.00 C ATOM 1360 C PRO A 91 6.551 4.172 -3.418 1.00 0.00 C ATOM 1361 O PRO A 91 7.641 3.627 -3.586 1.00 0.00 O ATOM 1362 CB PRO A 91 5.445 3.116 -5.450 1.00 0.00 C ATOM 1363 CG PRO A 91 6.288 3.362 -6.690 1.00 0.00 C ATOM 1364 CD PRO A 91 6.631 4.842 -6.734 1.00 0.00 C ATOM 0 HA PRO A 91 4.638 4.624 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.788 2.231 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.402 2.944 -5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.196 2.760 -6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.742 3.070 -7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.709 4.997 -6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.198 5.323 -7.611 1.00 0.00 H new ATOM 1372 N SER A 92 6.113 4.631 -2.255 1.00 0.00 N ATOM 1373 CA SER A 92 6.921 4.518 -1.053 1.00 0.00 C ATOM 1374 C SER A 92 7.564 3.132 -0.984 1.00 0.00 C ATOM 1375 O SER A 92 7.194 2.233 -1.738 1.00 0.00 O ATOM 1376 CB SER A 92 6.083 4.778 0.200 1.00 0.00 C ATOM 1377 OG SER A 92 4.963 3.901 0.285 1.00 0.00 O ATOM 0 H SER A 92 5.208 5.082 -2.120 1.00 0.00 H new ATOM 0 HA SER A 92 7.705 5.274 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.707 4.656 1.085 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.735 5.811 0.195 1.00 0.00 H new ATOM 0 HG SER A 92 4.480 3.904 -0.568 1.00 0.00 H new ATOM 1383 N ASN A 93 8.517 3.001 -0.072 1.00 0.00 N ATOM 1384 CA ASN A 93 9.215 1.739 0.106 1.00 0.00 C ATOM 1385 C ASN A 93 8.228 0.585 -0.079 1.00 0.00 C ATOM 1386 O ASN A 93 7.024 0.758 0.102 1.00 0.00 O ATOM 1387 CB ASN A 93 9.810 1.633 1.511 1.00 0.00 C ATOM 1388 CG ASN A 93 8.755 1.931 2.578 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.094 2.957 2.564 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.634 0.981 3.501 1.00 0.00 N ATOM 0 H ASN A 93 8.822 3.748 0.551 1.00 0.00 H new ATOM 0 HA ASN A 93 10.018 1.690 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.214 0.632 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.641 2.331 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.956 1.087 4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.219 0.147 3.454 1.00 0.00 H new ATOM 1397 N THR A 94 8.775 -0.568 -0.436 1.00 0.00 N ATOM 1398 CA THR A 94 7.958 -1.750 -0.647 1.00 0.00 C ATOM 1399 C THR A 94 7.845 -2.558 0.647 1.00 0.00 C ATOM 1400 O THR A 94 8.794 -2.625 1.427 1.00 0.00 O ATOM 1401 CB THR A 94 8.563 -2.543 -1.807 1.00 0.00 C ATOM 1402 OG1 THR A 94 8.625 -1.602 -2.875 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.623 -3.634 -2.325 1.00 0.00 C ATOM 0 H THR A 94 9.774 -0.708 -0.584 1.00 0.00 H new ATOM 0 HA THR A 94 6.937 -1.481 -0.916 1.00 0.00 H new ATOM 0 HB THR A 94 9.501 -2.996 -1.487 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.007 -2.032 -3.668 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.101 -4.166 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.400 -4.335 -1.520 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.697 -3.179 -2.677 1.00 0.00 H new ATOM 1411 N ALA A 95 6.676 -3.152 0.837 1.00 0.00 N ATOM 1412 CA ALA A 95 6.426 -3.953 2.023 1.00 0.00 C ATOM 1413 C ALA A 95 6.155 -5.401 1.608 1.00 0.00 C ATOM 1414 O ALA A 95 5.812 -5.666 0.457 1.00 0.00 O ATOM 1415 CB ALA A 95 5.266 -3.346 2.815 1.00 0.00 C ATOM 0 H ALA A 95 5.891 -3.094 0.189 1.00 0.00 H new ATOM 0 HA ALA A 95 7.299 -3.955 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.079 -3.947 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.521 -2.329 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.371 -3.329 2.194 1.00 0.00 H new ATOM 1421 N ASN A 96 6.318 -6.298 2.569 1.00 0.00 N ATOM 1422 CA ASN A 96 6.095 -7.712 2.318 1.00 0.00 C ATOM 1423 C ASN A 96 5.634 -8.389 3.610 1.00 0.00 C ATOM 1424 O ASN A 96 5.902 -7.893 4.704 1.00 0.00 O ATOM 1425 CB ASN A 96 7.381 -8.400 1.857 1.00 0.00 C ATOM 1426 CG ASN A 96 8.575 -7.448 1.950 1.00 0.00 C ATOM 1427 OD1 ASN A 96 8.813 -6.806 2.960 1.00 0.00 O ATOM 1428 ND2 ASN A 96 9.312 -7.393 0.844 1.00 0.00 N ATOM 0 H ASN A 96 6.602 -6.073 3.523 1.00 0.00 H new ATOM 0 HA ASN A 96 5.339 -7.800 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.566 -9.282 2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.265 -8.745 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.132 -6.787 0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.057 -7.957 0.033 1.00 0.00 H new ATOM 1435 N VAL A 97 4.949 -9.510 3.442 1.00 0.00 N ATOM 1436 CA VAL A 97 4.448 -10.260 4.581 1.00 0.00 C ATOM 1437 C VAL A 97 4.569 -11.758 4.294 1.00 0.00 C ATOM 1438 O VAL A 97 4.794 -12.158 3.153 1.00 0.00 O ATOM 1439 CB VAL A 97 3.016 -9.827 4.904 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.796 -8.354 4.552 1.00 0.00 C ATOM 1441 CG2 VAL A 97 2.000 -10.720 4.190 1.00 0.00 C ATOM 0 H VAL A 97 4.729 -9.918 2.533 1.00 0.00 H new ATOM 0 HA VAL A 97 5.045 -10.050 5.468 1.00 0.00 H new ATOM 0 HB VAL A 97 2.865 -9.940 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.771 -8.072 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.486 -7.736 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.975 -8.204 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.990 -10.391 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.151 -10.653 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.134 -11.753 4.512 1.00 0.00 H new ATOM 1451 N SER A 98 4.416 -12.544 5.349 1.00 0.00 N ATOM 1452 CA SER A 98 4.505 -13.989 5.225 1.00 0.00 C ATOM 1453 C SER A 98 3.170 -14.631 5.607 1.00 0.00 C ATOM 1454 O SER A 98 2.390 -14.049 6.360 1.00 0.00 O ATOM 1455 CB SER A 98 5.632 -14.548 6.096 1.00 0.00 C ATOM 1456 OG SER A 98 5.608 -15.972 6.150 1.00 0.00 O ATOM 0 H SER A 98 4.231 -12.208 6.294 1.00 0.00 H new ATOM 0 HA SER A 98 4.732 -14.230 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.593 -14.216 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.544 -14.145 7.105 1.00 0.00 H new ATOM 0 HG SER A 98 6.344 -16.290 6.714 1.00 0.00 H new