USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 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 41 LYS NZ :NH3+ -147:sc= -0.0016 (180deg=-0.865) USER MOD Set 1.2: A 45 THR OG1 : rot 87:sc= 1.25 USER MOD Set 2.1: A 13 TYR OH : rot -165:sc= 1.23 USER MOD Set 2.2: A 34 THR OG1 : rot 81:sc= 1.08 USER MOD Set 3.1: A 29 LYS NZ :NH3+ -99:sc= 0.593 (180deg=0.484) USER MOD Set 3.2: A 33 GLN : amide:sc= -0.0685 K(o=0.52,f=-1.6!) USER MOD Set 4.1: A 2 SER OG : rot 92:sc= 0.115 USER MOD Set 4.2: A 75 GLN : amide:sc= -0.942 K(o=-0.83,f=0.28) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -127:sc= 0.376 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0409) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.108 X(o=0.11,f=-0.13) USER MOD Single : A 22 GLN : amide:sc= 0.195 X(o=0.19,f=-0.061) USER MOD Single : A 24 SER OG : rot -73:sc= 1.17 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0.793 (180deg=0.747) USER MOD Single : A 38 SER OG : rot 43:sc= 0.108 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.143 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 0.0449 (180deg=-1.11) USER MOD Single : A 62 SER OG : rot 159:sc= 1.21 USER MOD Single : A 67 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.53) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.789) USER MOD Single : A 74 SER OG : rot 62:sc= 0.914 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.978 2.287 -0.783 1.00 0.00 N ATOM 2 CA LYS A 1 3.264 1.664 -1.147 1.00 0.00 C ATOM 3 C LYS A 1 3.057 0.537 -2.160 1.00 0.00 C ATOM 4 O LYS A 1 3.555 0.617 -3.284 1.00 0.00 O ATOM 5 CB LYS A 1 4.012 1.186 0.108 1.00 0.00 C ATOM 6 CG LYS A 1 5.307 0.407 -0.176 1.00 0.00 C ATOM 7 CD LYS A 1 6.288 1.180 -1.068 1.00 0.00 C ATOM 8 CE LYS A 1 7.603 0.403 -1.199 1.00 0.00 C ATOM 9 NZ LYS A 1 8.525 1.062 -2.141 1.00 0.00 N ATOM 0 H1 LYS A 1 2.144 3.049 -0.095 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.530 2.681 -1.635 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.352 1.571 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 1 3.890 2.415 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.253 2.053 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.345 0.554 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.795 0.167 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.057 -0.540 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.849 1.337 -2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.479 2.165 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.077 0.320 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.396 -0.611 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.837 0.377 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.038 1.854 -2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 9.352 1.421 -1.623 1.00 0.00 H new ATOM 25 N SER A 2 2.326 -0.513 -1.770 1.00 0.00 N ATOM 26 CA SER A 2 2.192 -1.717 -2.571 1.00 0.00 C ATOM 27 C SER A 2 1.814 -1.427 -4.024 1.00 0.00 C ATOM 28 O SER A 2 2.513 -1.908 -4.907 1.00 0.00 O ATOM 29 CB SER A 2 1.242 -2.719 -1.911 1.00 0.00 C ATOM 30 OG SER A 2 1.282 -2.578 -0.503 1.00 0.00 O ATOM 0 H SER A 2 1.814 -0.544 -0.889 1.00 0.00 H new ATOM 0 HA SER A 2 3.178 -2.180 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.226 -2.559 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.522 -3.735 -2.190 1.00 0.00 H new ATOM 0 HG SER A 2 0.587 -1.949 -0.217 1.00 0.00 H new ATOM 36 N PRO A 3 0.763 -0.637 -4.311 1.00 0.00 N ATOM 37 CA PRO A 3 0.389 -0.319 -5.682 1.00 0.00 C ATOM 38 C PRO A 3 1.582 0.184 -6.499 1.00 0.00 C ATOM 39 O PRO A 3 1.829 -0.294 -7.603 1.00 0.00 O ATOM 40 CB PRO A 3 -0.716 0.736 -5.573 1.00 0.00 C ATOM 41 CG PRO A 3 -1.347 0.433 -4.216 1.00 0.00 C ATOM 42 CD PRO A 3 -0.128 0.047 -3.383 1.00 0.00 C ATOM 0 HA PRO A 3 0.040 -1.205 -6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.313 1.748 -5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.440 0.648 -6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.866 1.299 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.075 -0.376 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.350 0.927 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.407 -0.602 -2.553 1.00 0.00 H new ATOM 50 N GLU A 4 2.335 1.132 -5.935 1.00 0.00 N ATOM 51 CA GLU A 4 3.481 1.736 -6.591 1.00 0.00 C ATOM 52 C GLU A 4 4.572 0.691 -6.807 1.00 0.00 C ATOM 53 O GLU A 4 5.122 0.578 -7.901 1.00 0.00 O ATOM 54 CB GLU A 4 4.007 2.904 -5.744 1.00 0.00 C ATOM 55 CG GLU A 4 2.940 3.980 -5.497 1.00 0.00 C ATOM 56 CD GLU A 4 3.448 5.026 -4.511 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.356 4.744 -3.296 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.928 6.076 -4.988 1.00 0.00 O ATOM 0 H GLU A 4 2.158 1.500 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 4 3.178 2.120 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.362 2.523 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.864 3.355 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.675 4.460 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.033 3.517 -5.109 1.00 0.00 H new ATOM 65 N GLU A 5 4.880 -0.078 -5.759 1.00 0.00 N ATOM 66 CA GLU A 5 5.891 -1.122 -5.833 1.00 0.00 C ATOM 67 C GLU A 5 5.535 -2.104 -6.953 1.00 0.00 C ATOM 68 O GLU A 5 6.357 -2.412 -7.813 1.00 0.00 O ATOM 69 CB GLU A 5 5.998 -1.817 -4.467 1.00 0.00 C ATOM 70 CG GLU A 5 7.120 -2.865 -4.411 1.00 0.00 C ATOM 71 CD GLU A 5 8.496 -2.254 -4.660 1.00 0.00 C ATOM 72 OE1 GLU A 5 8.927 -1.462 -3.793 1.00 0.00 O ATOM 73 OE2 GLU A 5 9.084 -2.579 -5.714 1.00 0.00 O ATOM 0 H GLU A 5 4.436 0.009 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 5 6.865 -0.695 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.172 -1.066 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.048 -2.298 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.112 -3.351 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.929 -3.639 -5.154 1.00 0.00 H new ATOM 80 N LEU A 6 4.291 -2.581 -6.946 1.00 0.00 N ATOM 81 CA LEU A 6 3.818 -3.583 -7.884 1.00 0.00 C ATOM 82 C LEU A 6 3.784 -2.996 -9.292 1.00 0.00 C ATOM 83 O LEU A 6 4.105 -3.697 -10.245 1.00 0.00 O ATOM 84 CB LEU A 6 2.450 -4.133 -7.466 1.00 0.00 C ATOM 85 CG LEU A 6 2.472 -4.763 -6.063 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.065 -4.719 -5.466 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.970 -6.210 -6.115 1.00 0.00 C ATOM 0 H LEU A 6 3.581 -2.276 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 6 4.511 -4.425 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.716 -3.327 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.125 -4.879 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 6 3.158 -4.192 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.078 -5.165 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.732 -3.684 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.381 -5.277 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.975 -6.629 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.309 -6.800 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.981 -6.233 -6.522 1.00 0.00 H new ATOM 99 N LYS A 7 3.421 -1.717 -9.437 1.00 0.00 N ATOM 100 CA LYS A 7 3.510 -1.025 -10.714 1.00 0.00 C ATOM 101 C LYS A 7 4.956 -0.999 -11.210 1.00 0.00 C ATOM 102 O LYS A 7 5.210 -1.317 -12.369 1.00 0.00 O ATOM 103 CB LYS A 7 2.926 0.387 -10.597 1.00 0.00 C ATOM 104 CG LYS A 7 2.668 0.994 -11.981 1.00 0.00 C ATOM 105 CD LYS A 7 2.012 2.370 -11.841 1.00 0.00 C ATOM 106 CE LYS A 7 1.715 2.956 -13.225 1.00 0.00 C ATOM 107 NZ LYS A 7 1.080 4.281 -13.122 1.00 0.00 N ATOM 0 H LYS A 7 3.061 -1.142 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 7 2.920 -1.568 -11.452 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.994 0.353 -10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.614 1.023 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.607 1.085 -12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.024 0.333 -12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.089 2.284 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.670 3.040 -11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.641 3.038 -13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.062 2.279 -13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.892 4.651 -14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.184 4.197 -12.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.715 4.932 -12.617 1.00 0.00 H new ATOM 121 N GLY A 8 5.901 -0.630 -10.342 1.00 0.00 N ATOM 122 CA GLY A 8 7.318 -0.620 -10.673 1.00 0.00 C ATOM 123 C GLY A 8 7.769 -1.998 -11.155 1.00 0.00 C ATOM 124 O GLY A 8 8.292 -2.133 -12.260 1.00 0.00 O ATOM 0 H GLY A 8 5.699 -0.330 -9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.511 0.123 -11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.899 -0.327 -9.799 1.00 0.00 H new ATOM 128 N ILE A 9 7.535 -3.021 -10.329 1.00 0.00 N ATOM 129 CA ILE A 9 7.793 -4.423 -10.649 1.00 0.00 C ATOM 130 C ILE A 9 7.219 -4.736 -12.033 1.00 0.00 C ATOM 131 O ILE A 9 7.956 -5.052 -12.967 1.00 0.00 O ATOM 132 CB ILE A 9 7.184 -5.297 -9.527 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.082 -5.236 -8.278 1.00 0.00 C ATOM 134 CG2 ILE A 9 6.931 -6.763 -9.901 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.481 -5.989 -7.087 1.00 0.00 C ATOM 0 H ILE A 9 7.150 -2.891 -9.393 1.00 0.00 H new ATOM 0 HA ILE A 9 8.861 -4.638 -10.694 1.00 0.00 H new ATOM 0 HB ILE A 9 6.199 -4.871 -9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.059 -5.658 -8.515 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.244 -4.194 -8.001 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.504 -7.288 -9.047 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.237 -6.810 -10.740 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.873 -7.234 -10.183 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.154 -5.915 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.517 -5.551 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.344 -7.038 -7.351 1.00 0.00 H new ATOM 147 N PHE A 10 5.895 -4.632 -12.149 1.00 0.00 N ATOM 148 CA PHE A 10 5.133 -4.868 -13.364 1.00 0.00 C ATOM 149 C PHE A 10 5.824 -4.229 -14.571 1.00 0.00 C ATOM 150 O PHE A 10 6.129 -4.912 -15.545 1.00 0.00 O ATOM 151 CB PHE A 10 3.708 -4.338 -13.150 1.00 0.00 C ATOM 152 CG PHE A 10 2.872 -4.273 -14.403 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.963 -3.147 -15.240 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.080 -5.367 -14.783 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.390 -3.182 -16.517 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.477 -5.386 -16.047 1.00 0.00 C ATOM 157 CZ PHE A 10 1.672 -4.316 -16.930 1.00 0.00 C ATOM 0 H PHE A 10 5.303 -4.369 -11.361 1.00 0.00 H new ATOM 0 HA PHE A 10 5.078 -5.935 -13.579 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.202 -4.974 -12.423 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.766 -3.340 -12.715 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.473 -2.258 -14.899 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.936 -6.193 -14.102 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.500 -2.339 -17.183 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.863 -6.224 -16.341 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.269 -4.363 -17.931 1.00 0.00 H new ATOM 167 N GLU A 11 6.085 -2.923 -14.495 1.00 0.00 N ATOM 168 CA GLU A 11 6.707 -2.157 -15.560 1.00 0.00 C ATOM 169 C GLU A 11 8.074 -2.749 -15.926 1.00 0.00 C ATOM 170 O GLU A 11 8.379 -2.950 -17.101 1.00 0.00 O ATOM 171 CB GLU A 11 6.819 -0.693 -15.112 1.00 0.00 C ATOM 172 CG GLU A 11 7.313 0.230 -16.231 1.00 0.00 C ATOM 173 CD GLU A 11 7.406 1.671 -15.743 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.382 2.378 -15.857 1.00 0.00 O ATOM 175 OE2 GLU A 11 8.495 2.033 -15.247 1.00 0.00 O ATOM 0 H GLU A 11 5.863 -2.363 -13.672 1.00 0.00 H new ATOM 0 HA GLU A 11 6.094 -2.203 -16.460 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.845 -0.348 -14.765 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.501 -0.628 -14.264 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.290 -0.104 -16.579 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.634 0.173 -17.082 1.00 0.00 H new ATOM 182 N LYS A 12 8.912 -3.017 -14.920 1.00 0.00 N ATOM 183 CA LYS A 12 10.246 -3.559 -15.138 1.00 0.00 C ATOM 184 C LYS A 12 10.179 -4.911 -15.852 1.00 0.00 C ATOM 185 O LYS A 12 10.903 -5.124 -16.822 1.00 0.00 O ATOM 186 CB LYS A 12 11.007 -3.654 -13.810 1.00 0.00 C ATOM 187 CG LYS A 12 11.366 -2.258 -13.283 1.00 0.00 C ATOM 188 CD LYS A 12 11.910 -2.358 -11.853 1.00 0.00 C ATOM 189 CE LYS A 12 12.152 -0.974 -11.240 1.00 0.00 C ATOM 190 NZ LYS A 12 13.163 -0.206 -11.989 1.00 0.00 N ATOM 0 H LYS A 12 8.681 -2.863 -13.938 1.00 0.00 H new ATOM 0 HA LYS A 12 10.796 -2.879 -15.789 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.398 -4.179 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.916 -4.240 -13.948 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.110 -1.796 -13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.485 -1.616 -13.301 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.205 -2.912 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.843 -2.922 -11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.215 -0.417 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.476 -1.088 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.345 0.695 -11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.045 -0.754 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.813 -0.016 -12.950 1.00 0.00 H new ATOM 204 N TYR A 13 9.317 -5.825 -15.395 1.00 0.00 N ATOM 205 CA TYR A 13 9.108 -7.080 -16.100 1.00 0.00 C ATOM 206 C TYR A 13 8.615 -6.831 -17.528 1.00 0.00 C ATOM 207 O TYR A 13 9.235 -7.279 -18.489 1.00 0.00 O ATOM 208 CB TYR A 13 8.147 -7.943 -15.288 1.00 0.00 C ATOM 209 CG TYR A 13 8.837 -8.662 -14.151 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.550 -9.845 -14.408 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.768 -8.170 -12.839 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.231 -10.491 -13.369 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.507 -8.780 -11.818 1.00 0.00 C ATOM 214 CZ TYR A 13 10.268 -9.924 -12.087 1.00 0.00 C ATOM 215 OH TYR A 13 10.948 -10.543 -11.085 1.00 0.00 O ATOM 0 H TYR A 13 8.760 -5.715 -14.547 1.00 0.00 H new ATOM 0 HA TYR A 13 10.052 -7.617 -16.198 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.350 -7.316 -14.887 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.677 -8.675 -15.945 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.573 -10.256 -15.407 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.143 -7.318 -12.616 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.730 -11.430 -13.556 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.490 -8.367 -10.820 1.00 0.00 H new ATOM 0 HH TYR A 13 10.685 -10.157 -10.224 1.00 0.00 H new ATOM 225 N ALA A 14 7.511 -6.100 -17.674 1.00 0.00 N ATOM 226 CA ALA A 14 6.927 -5.740 -18.958 1.00 0.00 C ATOM 227 C ALA A 14 7.986 -5.287 -19.962 1.00 0.00 C ATOM 228 O ALA A 14 8.089 -5.851 -21.049 1.00 0.00 O ATOM 229 CB ALA A 14 5.874 -4.658 -18.733 1.00 0.00 C ATOM 0 H ALA A 14 6.987 -5.734 -16.879 1.00 0.00 H new ATOM 0 HA ALA A 14 6.456 -6.622 -19.391 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.429 -4.379 -19.688 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.098 -5.038 -18.068 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.342 -3.783 -18.282 1.00 0.00 H new ATOM 235 N ALA A 15 8.811 -4.312 -19.572 1.00 0.00 N ATOM 236 CA ALA A 15 9.899 -3.788 -20.390 1.00 0.00 C ATOM 237 C ALA A 15 10.766 -4.875 -21.043 1.00 0.00 C ATOM 238 O ALA A 15 11.253 -4.670 -22.154 1.00 0.00 O ATOM 239 CB ALA A 15 10.757 -2.837 -19.553 1.00 0.00 C ATOM 0 H ALA A 15 8.737 -3.859 -18.661 1.00 0.00 H new ATOM 0 HA ALA A 15 9.439 -3.248 -21.218 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.570 -2.446 -20.165 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.142 -2.011 -19.196 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.171 -3.376 -18.701 1.00 0.00 H new ATOM 245 N LYS A 16 10.960 -6.032 -20.398 1.00 0.00 N ATOM 246 CA LYS A 16 11.730 -7.124 -20.990 1.00 0.00 C ATOM 247 C LYS A 16 11.125 -7.566 -22.329 1.00 0.00 C ATOM 248 O LYS A 16 11.856 -7.920 -23.251 1.00 0.00 O ATOM 249 CB LYS A 16 11.832 -8.312 -20.024 1.00 0.00 C ATOM 250 CG LYS A 16 12.365 -7.958 -18.627 1.00 0.00 C ATOM 251 CD LYS A 16 13.784 -7.379 -18.658 1.00 0.00 C ATOM 252 CE LYS A 16 14.263 -7.117 -17.227 1.00 0.00 C ATOM 253 NZ LYS A 16 15.618 -6.539 -17.213 1.00 0.00 N ATOM 0 H LYS A 16 10.593 -6.232 -19.467 1.00 0.00 H new ATOM 0 HA LYS A 16 12.737 -6.753 -21.181 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.845 -8.763 -19.918 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.482 -9.067 -20.466 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.694 -7.237 -18.160 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.356 -8.852 -18.003 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.460 -8.073 -19.157 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.797 -6.453 -19.232 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.571 -6.439 -16.728 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.257 -8.050 -16.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.914 -6.373 -16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.281 -7.198 -17.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.616 -5.637 -17.731 1.00 0.00 H new ATOM 267 N GLU A 17 9.796 -7.499 -22.455 1.00 0.00 N ATOM 268 CA GLU A 17 9.070 -7.808 -23.680 1.00 0.00 C ATOM 269 C GLU A 17 8.983 -6.583 -24.601 1.00 0.00 C ATOM 270 O GLU A 17 8.114 -6.535 -25.472 1.00 0.00 O ATOM 271 CB GLU A 17 7.654 -8.301 -23.327 1.00 0.00 C ATOM 272 CG GLU A 17 7.608 -9.410 -22.265 1.00 0.00 C ATOM 273 CD GLU A 17 8.201 -10.736 -22.738 1.00 0.00 C ATOM 274 OE1 GLU A 17 9.428 -10.773 -22.970 1.00 0.00 O ATOM 275 OE2 GLU A 17 7.412 -11.701 -22.846 1.00 0.00 O ATOM 0 H GLU A 17 9.185 -7.221 -21.687 1.00 0.00 H new ATOM 0 HA GLU A 17 9.611 -8.590 -24.213 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.066 -7.454 -22.974 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.174 -8.666 -24.235 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.148 -9.076 -21.379 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.573 -9.571 -21.965 1.00 0.00 H new ATOM 282 N GLY A 18 9.833 -5.568 -24.414 1.00 0.00 N ATOM 283 CA GLY A 18 9.803 -4.349 -25.205 1.00 0.00 C ATOM 284 C GLY A 18 8.668 -3.439 -24.744 1.00 0.00 C ATOM 285 O GLY A 18 8.914 -2.322 -24.296 1.00 0.00 O ATOM 0 H GLY A 18 10.564 -5.576 -23.702 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.755 -3.826 -25.114 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.674 -4.596 -26.259 1.00 0.00 H new ATOM 289 N ASP A 19 7.423 -3.914 -24.854 1.00 0.00 N ATOM 290 CA ASP A 19 6.236 -3.204 -24.395 1.00 0.00 C ATOM 291 C ASP A 19 6.400 -2.851 -22.909 1.00 0.00 C ATOM 292 O ASP A 19 6.350 -3.748 -22.073 1.00 0.00 O ATOM 293 CB ASP A 19 4.997 -4.087 -24.621 1.00 0.00 C ATOM 294 CG ASP A 19 3.680 -3.402 -24.254 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.709 -2.473 -23.416 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.645 -3.838 -24.807 1.00 0.00 O ATOM 0 H ASP A 19 7.214 -4.820 -25.273 1.00 0.00 H new ATOM 0 HA ASP A 19 6.107 -2.279 -24.957 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.961 -4.387 -25.668 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.099 -4.999 -24.032 1.00 0.00 H new ATOM 301 N PRO A 20 6.554 -1.569 -22.541 1.00 0.00 N ATOM 302 CA PRO A 20 6.844 -1.189 -21.169 1.00 0.00 C ATOM 303 C PRO A 20 5.639 -1.367 -20.244 1.00 0.00 C ATOM 304 O PRO A 20 5.801 -1.298 -19.028 1.00 0.00 O ATOM 305 CB PRO A 20 7.269 0.280 -21.250 1.00 0.00 C ATOM 306 CG PRO A 20 6.467 0.803 -22.442 1.00 0.00 C ATOM 307 CD PRO A 20 6.460 -0.393 -23.394 1.00 0.00 C ATOM 0 HA PRO A 20 7.619 -1.824 -20.740 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.030 0.821 -20.334 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.342 0.382 -21.410 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.458 1.097 -22.153 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.936 1.677 -22.894 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.549 -0.414 -23.992 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.297 -0.345 -24.090 1.00 0.00 H new ATOM 315 N ASN A 21 4.432 -1.556 -20.792 1.00 0.00 N ATOM 316 CA ASN A 21 3.195 -1.513 -20.023 1.00 0.00 C ATOM 317 C ASN A 21 2.394 -2.813 -20.108 1.00 0.00 C ATOM 318 O ASN A 21 1.180 -2.772 -19.889 1.00 0.00 O ATOM 319 CB ASN A 21 2.361 -0.302 -20.473 1.00 0.00 C ATOM 320 CG ASN A 21 1.863 -0.412 -21.914 1.00 0.00 C ATOM 321 OD1 ASN A 21 2.364 0.273 -22.800 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.874 -1.264 -22.164 1.00 0.00 N ATOM 0 H ASN A 21 4.292 -1.743 -21.785 1.00 0.00 H new ATOM 0 HA ASN A 21 3.456 -1.402 -18.971 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.505 -0.192 -19.808 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.962 0.602 -20.372 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.512 -1.361 -23.113 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.477 -1.821 -21.407 1.00 0.00 H new ATOM 329 N GLN A 22 3.019 -3.953 -20.432 1.00 0.00 N ATOM 330 CA GLN A 22 2.280 -5.195 -20.638 1.00 0.00 C ATOM 331 C GLN A 22 3.119 -6.458 -20.434 1.00 0.00 C ATOM 332 O GLN A 22 4.278 -6.498 -20.836 1.00 0.00 O ATOM 333 CB GLN A 22 1.634 -5.161 -22.028 1.00 0.00 C ATOM 334 CG GLN A 22 0.120 -5.251 -21.870 1.00 0.00 C ATOM 335 CD GLN A 22 -0.651 -5.199 -23.186 1.00 0.00 C ATOM 336 OE1 GLN A 22 -1.835 -5.512 -23.210 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.023 -4.796 -24.289 1.00 0.00 N ATOM 0 H GLN A 22 4.028 -4.036 -20.555 1.00 0.00 H new ATOM 0 HA GLN A 22 1.510 -5.253 -19.869 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.905 -4.242 -22.547 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.000 -5.990 -22.634 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.126 -6.179 -21.355 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.217 -4.434 -21.232 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.963 -4.539 -24.249 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.528 -4.744 -25.173 1.00 0.00 H new ATOM 346 N LEU A 23 2.517 -7.488 -19.823 1.00 0.00 N ATOM 347 CA LEU A 23 3.152 -8.764 -19.510 1.00 0.00 C ATOM 348 C LEU A 23 2.555 -9.897 -20.354 1.00 0.00 C ATOM 349 O LEU A 23 1.416 -10.300 -20.119 1.00 0.00 O ATOM 350 CB LEU A 23 2.924 -9.120 -18.030 1.00 0.00 C ATOM 351 CG LEU A 23 3.390 -8.087 -17.001 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.882 -8.491 -15.619 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.901 -8.007 -16.899 1.00 0.00 C ATOM 0 H LEU A 23 1.542 -7.449 -19.526 1.00 0.00 H new ATOM 0 HA LEU A 23 4.215 -8.660 -19.725 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.858 -9.294 -17.881 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.433 -10.062 -17.823 1.00 0.00 H new ATOM 0 HG LEU A 23 3.000 -7.123 -17.327 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.211 -7.759 -14.882 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.793 -8.531 -15.629 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.279 -9.472 -15.358 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.176 -7.259 -16.155 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.298 -8.978 -16.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.317 -7.726 -17.867 1.00 0.00 H new ATOM 365 N SER A 24 3.306 -10.451 -21.309 1.00 0.00 N ATOM 366 CA SER A 24 2.913 -11.693 -21.971 1.00 0.00 C ATOM 367 C SER A 24 2.865 -12.825 -20.942 1.00 0.00 C ATOM 368 O SER A 24 3.517 -12.712 -19.907 1.00 0.00 O ATOM 369 CB SER A 24 3.934 -12.012 -23.067 1.00 0.00 C ATOM 370 OG SER A 24 4.090 -10.893 -23.914 1.00 0.00 O ATOM 0 H SER A 24 4.188 -10.058 -21.639 1.00 0.00 H new ATOM 0 HA SER A 24 1.925 -11.586 -22.419 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.892 -12.277 -22.619 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.603 -12.875 -23.646 1.00 0.00 H new ATOM 0 HG SER A 24 3.298 -10.801 -24.484 1.00 0.00 H new ATOM 376 N LYS A 25 2.155 -13.926 -21.227 1.00 0.00 N ATOM 377 CA LYS A 25 2.064 -15.097 -20.355 1.00 0.00 C ATOM 378 C LYS A 25 3.384 -15.428 -19.669 1.00 0.00 C ATOM 379 O LYS A 25 3.425 -15.596 -18.456 1.00 0.00 O ATOM 380 CB LYS A 25 1.588 -16.341 -21.113 1.00 0.00 C ATOM 381 CG LYS A 25 0.293 -16.183 -21.919 1.00 0.00 C ATOM 382 CD LYS A 25 0.541 -15.898 -23.410 1.00 0.00 C ATOM 383 CE LYS A 25 -0.759 -15.998 -24.216 1.00 0.00 C ATOM 384 NZ LYS A 25 -1.790 -15.086 -23.695 1.00 0.00 N ATOM 0 H LYS A 25 1.618 -14.025 -22.089 1.00 0.00 H new ATOM 0 HA LYS A 25 1.331 -14.826 -19.595 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.380 -16.653 -21.794 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.449 -17.149 -20.394 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.301 -17.092 -21.823 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.296 -15.371 -21.493 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.969 -14.902 -23.527 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.271 -16.606 -23.802 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.559 -15.763 -25.261 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.129 -17.023 -24.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.632 -15.130 -24.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.047 -15.369 -22.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.420 -14.114 -23.685 1.00 0.00 H new ATOM 398 N GLU A 26 4.461 -15.514 -20.447 1.00 0.00 N ATOM 399 CA GLU A 26 5.772 -15.847 -19.915 1.00 0.00 C ATOM 400 C GLU A 26 6.264 -14.778 -18.939 1.00 0.00 C ATOM 401 O GLU A 26 6.828 -15.099 -17.896 1.00 0.00 O ATOM 402 CB GLU A 26 6.763 -16.054 -21.064 1.00 0.00 C ATOM 403 CG GLU A 26 6.332 -17.233 -21.945 1.00 0.00 C ATOM 404 CD GLU A 26 7.331 -17.474 -23.071 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.326 -18.182 -22.805 1.00 0.00 O ATOM 406 OE2 GLU A 26 7.083 -16.937 -24.172 1.00 0.00 O ATOM 0 H GLU A 26 4.446 -15.356 -21.455 1.00 0.00 H new ATOM 0 HA GLU A 26 5.693 -16.778 -19.354 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.825 -15.147 -21.666 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.760 -16.238 -20.663 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.243 -18.132 -21.336 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.346 -17.035 -22.366 1.00 0.00 H new ATOM 413 N GLU A 27 6.047 -13.504 -19.264 1.00 0.00 N ATOM 414 CA GLU A 27 6.501 -12.414 -18.419 1.00 0.00 C ATOM 415 C GLU A 27 5.694 -12.414 -17.120 1.00 0.00 C ATOM 416 O GLU A 27 6.254 -12.312 -16.029 1.00 0.00 O ATOM 417 CB GLU A 27 6.396 -11.096 -19.199 1.00 0.00 C ATOM 418 CG GLU A 27 7.340 -10.030 -18.628 1.00 0.00 C ATOM 419 CD GLU A 27 8.818 -10.400 -18.774 1.00 0.00 C ATOM 420 OE1 GLU A 27 9.164 -10.982 -19.824 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.573 -10.119 -17.820 1.00 0.00 O ATOM 0 H GLU A 27 5.558 -13.207 -20.109 1.00 0.00 H new ATOM 0 HA GLU A 27 7.548 -12.538 -18.142 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.636 -11.272 -20.248 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.369 -10.731 -19.164 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.157 -9.082 -19.134 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.112 -9.878 -17.573 1.00 0.00 H new ATOM 428 N LEU A 28 4.374 -12.578 -17.243 1.00 0.00 N ATOM 429 CA LEU A 28 3.468 -12.662 -16.111 1.00 0.00 C ATOM 430 C LEU A 28 3.905 -13.821 -15.221 1.00 0.00 C ATOM 431 O LEU A 28 4.133 -13.631 -14.026 1.00 0.00 O ATOM 432 CB LEU A 28 2.030 -12.789 -16.643 1.00 0.00 C ATOM 433 CG LEU A 28 0.890 -12.808 -15.609 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.717 -14.174 -14.939 1.00 0.00 C ATOM 435 CD2 LEU A 28 1.026 -11.700 -14.561 1.00 0.00 C ATOM 0 H LEU A 28 3.906 -12.656 -18.146 1.00 0.00 H new ATOM 0 HA LEU A 28 3.496 -11.765 -15.492 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.850 -11.960 -17.327 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.968 -13.706 -17.229 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.018 -12.610 -16.179 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.101 -14.126 -14.220 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.491 -14.925 -15.696 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.638 -14.445 -14.423 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.196 -11.761 -13.858 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.967 -11.821 -14.024 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.013 -10.728 -15.055 1.00 0.00 H new ATOM 447 N LYS A 29 4.061 -15.010 -15.810 1.00 0.00 N ATOM 448 CA LYS A 29 4.559 -16.182 -15.113 1.00 0.00 C ATOM 449 C LYS A 29 5.849 -15.837 -14.376 1.00 0.00 C ATOM 450 O LYS A 29 5.933 -16.039 -13.171 1.00 0.00 O ATOM 451 CB LYS A 29 4.798 -17.326 -16.113 1.00 0.00 C ATOM 452 CG LYS A 29 5.155 -18.644 -15.414 1.00 0.00 C ATOM 453 CD LYS A 29 5.697 -19.663 -16.426 1.00 0.00 C ATOM 454 CE LYS A 29 5.782 -21.068 -15.816 1.00 0.00 C ATOM 455 NZ LYS A 29 6.679 -21.110 -14.648 1.00 0.00 N ATOM 0 H LYS A 29 3.841 -15.180 -16.792 1.00 0.00 H new ATOM 0 HA LYS A 29 3.817 -16.509 -14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.903 -17.469 -16.719 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.603 -17.049 -16.794 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.900 -18.461 -14.640 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.273 -19.050 -14.918 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.051 -19.685 -17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.685 -19.351 -16.764 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.785 -21.395 -15.520 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.137 -21.770 -16.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.608 -21.477 -14.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.790 -20.151 -14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.273 -21.732 -13.920 1.00 0.00 H new ATOM 469 N LEU A 30 6.849 -15.332 -15.099 1.00 0.00 N ATOM 470 CA LEU A 30 8.212 -15.142 -14.618 1.00 0.00 C ATOM 471 C LEU A 30 8.186 -14.227 -13.406 1.00 0.00 C ATOM 472 O LEU A 30 8.805 -14.501 -12.373 1.00 0.00 O ATOM 473 CB LEU A 30 9.065 -14.548 -15.751 1.00 0.00 C ATOM 474 CG LEU A 30 10.494 -14.162 -15.334 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.303 -15.383 -14.882 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.197 -13.486 -16.516 1.00 0.00 C ATOM 0 H LEU A 30 6.725 -15.035 -16.067 1.00 0.00 H new ATOM 0 HA LEU A 30 8.652 -16.094 -14.320 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.120 -15.270 -16.565 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.562 -13.664 -16.143 1.00 0.00 H new ATOM 0 HG LEU A 30 10.429 -13.477 -14.489 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.307 -15.069 -14.596 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.811 -15.849 -14.028 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.367 -16.100 -15.700 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.211 -13.210 -16.227 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.235 -14.176 -17.359 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.645 -12.591 -16.804 1.00 0.00 H new ATOM 488 N LEU A 31 7.427 -13.144 -13.545 1.00 0.00 N ATOM 489 CA LEU A 31 7.227 -12.187 -12.491 1.00 0.00 C ATOM 490 C LEU A 31 6.613 -12.928 -11.306 1.00 0.00 C ATOM 491 O LEU A 31 7.181 -12.909 -10.219 1.00 0.00 O ATOM 492 CB LEU A 31 6.404 -11.041 -13.088 1.00 0.00 C ATOM 493 CG LEU A 31 6.003 -9.913 -12.133 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.272 -8.833 -12.935 1.00 0.00 C ATOM 495 CD2 LEU A 31 5.008 -10.434 -11.117 1.00 0.00 C ATOM 0 H LEU A 31 6.933 -12.915 -14.407 1.00 0.00 H new ATOM 0 HA LEU A 31 8.135 -11.730 -12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.973 -10.605 -13.909 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.495 -11.462 -13.518 1.00 0.00 H new ATOM 0 HG LEU A 31 6.898 -9.528 -11.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.979 -8.021 -12.269 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.933 -8.446 -13.710 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.383 -9.262 -13.397 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.725 -9.629 -10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.121 -10.803 -11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.461 -11.246 -10.547 1.00 0.00 H new ATOM 507 N LEU A 32 5.485 -13.614 -11.501 1.00 0.00 N ATOM 508 CA LEU A 32 4.835 -14.340 -10.417 1.00 0.00 C ATOM 509 C LEU A 32 5.768 -15.361 -9.768 1.00 0.00 C ATOM 510 O LEU A 32 5.732 -15.502 -8.551 1.00 0.00 O ATOM 511 CB LEU A 32 3.505 -14.957 -10.883 1.00 0.00 C ATOM 512 CG LEU A 32 2.289 -14.119 -10.457 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.429 -12.645 -10.827 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.062 -14.630 -11.198 1.00 0.00 C ATOM 0 H LEU A 32 5.006 -13.680 -12.399 1.00 0.00 H new ATOM 0 HA LEU A 32 4.593 -13.621 -9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.513 -15.054 -11.969 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.411 -15.963 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 32 2.207 -14.210 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.541 -12.102 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.309 -12.229 -10.336 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.537 -12.550 -11.907 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.190 -14.044 -10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.220 -14.534 -12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.896 -15.678 -10.948 1.00 0.00 H new ATOM 526 N GLN A 33 6.627 -16.040 -10.533 1.00 0.00 N ATOM 527 CA GLN A 33 7.569 -16.979 -9.935 1.00 0.00 C ATOM 528 C GLN A 33 8.494 -16.223 -8.986 1.00 0.00 C ATOM 529 O GLN A 33 8.679 -16.615 -7.838 1.00 0.00 O ATOM 530 CB GLN A 33 8.442 -17.729 -10.962 1.00 0.00 C ATOM 531 CG GLN A 33 7.764 -18.422 -12.148 1.00 0.00 C ATOM 532 CD GLN A 33 6.460 -19.126 -11.802 1.00 0.00 C ATOM 533 OE1 GLN A 33 6.459 -20.308 -11.482 1.00 0.00 O ATOM 534 NE2 GLN A 33 5.335 -18.428 -11.923 1.00 0.00 N ATOM 0 H GLN A 33 6.687 -15.958 -11.548 1.00 0.00 H new ATOM 0 HA GLN A 33 6.968 -17.726 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.162 -17.016 -11.365 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.011 -18.485 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.568 -17.681 -12.923 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.455 -19.151 -12.571 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.371 -17.445 -12.191 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.436 -18.876 -11.747 1.00 0.00 H new ATOM 543 N THR A 34 9.098 -15.150 -9.496 1.00 0.00 N ATOM 544 CA THR A 34 10.127 -14.424 -8.776 1.00 0.00 C ATOM 545 C THR A 34 9.533 -13.739 -7.541 1.00 0.00 C ATOM 546 O THR A 34 10.048 -13.884 -6.435 1.00 0.00 O ATOM 547 CB THR A 34 10.802 -13.433 -9.733 1.00 0.00 C ATOM 548 OG1 THR A 34 11.162 -14.094 -10.933 1.00 0.00 O ATOM 549 CG2 THR A 34 12.071 -12.845 -9.109 1.00 0.00 C ATOM 0 H THR A 34 8.884 -14.766 -10.416 1.00 0.00 H new ATOM 0 HA THR A 34 10.890 -15.112 -8.411 1.00 0.00 H new ATOM 0 HB THR A 34 10.094 -12.630 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.379 -14.158 -11.519 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.530 -12.146 -9.808 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.815 -12.322 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.773 -13.649 -8.886 1.00 0.00 H new ATOM 557 N GLU A 35 8.454 -12.978 -7.736 1.00 0.00 N ATOM 558 CA GLU A 35 7.836 -12.181 -6.693 1.00 0.00 C ATOM 559 C GLU A 35 6.982 -13.042 -5.755 1.00 0.00 C ATOM 560 O GLU A 35 6.994 -12.814 -4.547 1.00 0.00 O ATOM 561 CB GLU A 35 7.013 -11.050 -7.333 1.00 0.00 C ATOM 562 CG GLU A 35 7.793 -10.214 -8.363 1.00 0.00 C ATOM 563 CD GLU A 35 9.127 -9.685 -7.846 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.127 -9.121 -6.732 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.121 -9.844 -8.590 1.00 0.00 O ATOM 0 H GLU A 35 7.984 -12.902 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 35 8.620 -11.739 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.138 -11.481 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.648 -10.390 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.973 -10.823 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.176 -9.372 -8.675 1.00 0.00 H new ATOM 572 N PHE A 36 6.230 -14.013 -6.292 1.00 0.00 N ATOM 573 CA PHE A 36 5.209 -14.755 -5.551 1.00 0.00 C ATOM 574 C PHE A 36 5.290 -16.278 -5.781 1.00 0.00 C ATOM 575 O PHE A 36 4.311 -16.859 -6.256 1.00 0.00 O ATOM 576 CB PHE A 36 3.835 -14.217 -5.990 1.00 0.00 C ATOM 577 CG PHE A 36 3.655 -12.706 -5.909 1.00 0.00 C ATOM 578 CD1 PHE A 36 4.032 -12.008 -4.746 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.134 -11.990 -7.006 1.00 0.00 C ATOM 580 CE1 PHE A 36 4.004 -10.604 -4.724 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.080 -10.584 -6.974 1.00 0.00 C ATOM 582 CZ PHE A 36 3.558 -9.893 -5.849 1.00 0.00 C ATOM 0 H PHE A 36 6.317 -14.306 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 36 5.371 -14.606 -4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.656 -14.530 -7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.068 -14.688 -5.375 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.344 -12.554 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.775 -12.522 -7.874 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.326 -10.071 -3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.672 -10.038 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.583 -8.813 -5.849 1.00 0.00 H new ATOM 592 N PRO A 37 6.400 -16.942 -5.399 1.00 0.00 N ATOM 593 CA PRO A 37 6.700 -18.347 -5.682 1.00 0.00 C ATOM 594 C PRO A 37 5.549 -19.358 -5.606 1.00 0.00 C ATOM 595 O PRO A 37 5.545 -20.327 -6.357 1.00 0.00 O ATOM 596 CB PRO A 37 7.802 -18.726 -4.691 1.00 0.00 C ATOM 597 CG PRO A 37 8.592 -17.429 -4.556 1.00 0.00 C ATOM 598 CD PRO A 37 7.519 -16.345 -4.677 1.00 0.00 C ATOM 0 HA PRO A 37 6.978 -18.409 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.392 -19.052 -3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.422 -19.540 -5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.113 -17.374 -3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.347 -17.336 -5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.204 -16.000 -3.692 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.905 -15.476 -5.211 1.00 0.00 H new ATOM 606 N SER A 38 4.613 -19.188 -4.673 1.00 0.00 N ATOM 607 CA SER A 38 3.539 -20.118 -4.375 1.00 0.00 C ATOM 608 C SER A 38 2.221 -19.724 -5.041 1.00 0.00 C ATOM 609 O SER A 38 1.345 -20.575 -5.171 1.00 0.00 O ATOM 610 CB SER A 38 3.382 -20.135 -2.852 1.00 0.00 C ATOM 611 OG SER A 38 3.495 -18.808 -2.360 1.00 0.00 O ATOM 0 H SER A 38 4.587 -18.358 -4.080 1.00 0.00 H new ATOM 0 HA SER A 38 3.789 -21.104 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.415 -20.557 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.146 -20.770 -2.402 1.00 0.00 H new ATOM 0 HG SER A 38 2.992 -18.200 -2.941 1.00 0.00 H new ATOM 617 N LEU A 39 2.048 -18.463 -5.454 1.00 0.00 N ATOM 618 CA LEU A 39 0.750 -17.979 -5.925 1.00 0.00 C ATOM 619 C LEU A 39 0.282 -18.789 -7.132 1.00 0.00 C ATOM 620 O LEU A 39 -0.892 -19.131 -7.253 1.00 0.00 O ATOM 621 CB LEU A 39 0.825 -16.475 -6.217 1.00 0.00 C ATOM 622 CG LEU A 39 -0.538 -15.879 -6.618 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.668 -14.457 -6.065 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.721 -15.816 -8.141 1.00 0.00 C ATOM 0 H LEU A 39 2.790 -17.763 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 39 0.003 -18.120 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.199 -15.956 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.543 -16.300 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.303 -16.534 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.634 -14.042 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.592 -14.481 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.130 -13.835 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.697 -15.389 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.061 -15.193 -8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.657 -16.821 -8.557 1.00 0.00 H new ATOM 636 N LEU A 40 1.223 -19.117 -8.017 1.00 0.00 N ATOM 637 CA LEU A 40 0.981 -19.953 -9.178 1.00 0.00 C ATOM 638 C LEU A 40 0.502 -21.369 -8.828 1.00 0.00 C ATOM 639 O LEU A 40 -0.079 -22.024 -9.690 1.00 0.00 O ATOM 640 CB LEU A 40 2.206 -19.968 -10.111 1.00 0.00 C ATOM 641 CG LEU A 40 3.602 -20.261 -9.519 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.311 -19.024 -8.950 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.668 -21.387 -8.485 1.00 0.00 C ATOM 0 H LEU A 40 2.190 -18.800 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 40 0.150 -19.498 -9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.017 -20.709 -10.888 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.256 -18.996 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 40 4.135 -20.608 -10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.284 -19.313 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.446 -18.286 -9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.707 -18.594 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.695 -21.504 -8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.026 -21.142 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.330 -22.318 -8.939 1.00 0.00 H new ATOM 655 N LYS A 41 0.757 -21.853 -7.604 1.00 0.00 N ATOM 656 CA LYS A 41 0.465 -23.200 -7.123 1.00 0.00 C ATOM 657 C LYS A 41 1.236 -24.283 -7.892 1.00 0.00 C ATOM 658 O LYS A 41 2.083 -24.960 -7.314 1.00 0.00 O ATOM 659 CB LYS A 41 -1.051 -23.429 -7.073 1.00 0.00 C ATOM 660 CG LYS A 41 -1.416 -24.781 -6.440 1.00 0.00 C ATOM 661 CD LYS A 41 -2.934 -24.982 -6.302 1.00 0.00 C ATOM 662 CE LYS A 41 -3.600 -25.617 -7.533 1.00 0.00 C ATOM 663 NZ LYS A 41 -3.582 -24.741 -8.717 1.00 0.00 N ATOM 0 H LYS A 41 1.198 -21.277 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 41 0.832 -23.288 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.519 -22.626 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.457 -23.382 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.001 -25.585 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.953 -24.853 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.128 -25.611 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.401 -24.016 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.092 -26.551 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.632 -25.869 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.439 -24.905 -9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.553 -23.747 -8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.742 -24.952 -9.292 1.00 0.00 H new ATOM 677 N GLY A 42 0.947 -24.459 -9.182 1.00 0.00 N ATOM 678 CA GLY A 42 1.633 -25.385 -10.066 1.00 0.00 C ATOM 679 C GLY A 42 1.550 -24.832 -11.484 1.00 0.00 C ATOM 680 O GLY A 42 0.475 -24.400 -11.895 1.00 0.00 O ATOM 0 H GLY A 42 0.203 -23.941 -9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.673 -25.501 -9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.174 -26.372 -10.014 1.00 0.00 H new ATOM 684 N MET A 43 2.677 -24.827 -12.205 1.00 0.00 N ATOM 685 CA MET A 43 2.882 -24.158 -13.490 1.00 0.00 C ATOM 686 C MET A 43 1.643 -24.139 -14.393 1.00 0.00 C ATOM 687 O MET A 43 1.218 -23.072 -14.832 1.00 0.00 O ATOM 688 CB MET A 43 4.085 -24.773 -14.224 1.00 0.00 C ATOM 689 CG MET A 43 5.357 -24.864 -13.366 1.00 0.00 C ATOM 690 SD MET A 43 5.782 -23.371 -12.433 1.00 0.00 S ATOM 691 CE MET A 43 7.299 -23.910 -11.618 1.00 0.00 C ATOM 0 H MET A 43 3.514 -25.317 -11.889 1.00 0.00 H new ATOM 0 HA MET A 43 3.087 -23.113 -13.257 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.817 -25.773 -14.566 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.299 -24.178 -15.112 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.241 -25.689 -12.663 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.195 -25.115 -14.016 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.689 -23.100 -11.002 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.087 -24.774 -10.989 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.039 -24.182 -12.370 1.00 0.00 H new ATOM 701 N SER A 44 1.060 -25.310 -14.664 1.00 0.00 N ATOM 702 CA SER A 44 -0.118 -25.494 -15.500 1.00 0.00 C ATOM 703 C SER A 44 -1.225 -24.471 -15.214 1.00 0.00 C ATOM 704 O SER A 44 -1.856 -23.955 -16.138 1.00 0.00 O ATOM 705 CB SER A 44 -0.622 -26.924 -15.275 1.00 0.00 C ATOM 706 OG SER A 44 0.494 -27.787 -15.125 1.00 0.00 O ATOM 0 H SER A 44 1.415 -26.189 -14.289 1.00 0.00 H new ATOM 0 HA SER A 44 0.159 -25.334 -16.542 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.253 -26.966 -14.387 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.235 -27.244 -16.117 1.00 0.00 H new ATOM 0 HG SER A 44 0.181 -28.704 -14.979 1.00 0.00 H new ATOM 712 N THR A 45 -1.439 -24.160 -13.932 1.00 0.00 N ATOM 713 CA THR A 45 -2.446 -23.214 -13.469 1.00 0.00 C ATOM 714 C THR A 45 -2.328 -21.864 -14.184 1.00 0.00 C ATOM 715 O THR A 45 -3.329 -21.162 -14.307 1.00 0.00 O ATOM 716 CB THR A 45 -2.342 -23.040 -11.944 1.00 0.00 C ATOM 717 OG1 THR A 45 -2.176 -24.296 -11.316 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.591 -22.381 -11.352 1.00 0.00 C ATOM 0 H THR A 45 -0.900 -24.573 -13.171 1.00 0.00 H new ATOM 0 HA THR A 45 -3.428 -23.619 -13.712 1.00 0.00 H new ATOM 0 HB THR A 45 -1.480 -22.398 -11.763 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.224 -24.527 -11.293 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.472 -22.279 -10.273 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.728 -21.395 -11.797 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.464 -22.999 -11.564 1.00 0.00 H new ATOM 726 N LEU A 46 -1.136 -21.502 -14.682 1.00 0.00 N ATOM 727 CA LEU A 46 -0.921 -20.282 -15.450 1.00 0.00 C ATOM 728 C LEU A 46 -1.959 -20.155 -16.552 1.00 0.00 C ATOM 729 O LEU A 46 -2.422 -19.055 -16.823 1.00 0.00 O ATOM 730 CB LEU A 46 0.482 -20.266 -16.074 1.00 0.00 C ATOM 731 CG LEU A 46 0.776 -18.980 -16.881 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.079 -17.803 -15.949 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.971 -19.245 -17.798 1.00 0.00 C ATOM 0 H LEU A 46 -0.290 -22.059 -14.558 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.015 -19.440 -14.764 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.225 -20.369 -15.283 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.591 -21.131 -16.729 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.102 -18.717 -17.471 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.282 -16.912 -16.543 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.221 -17.621 -15.302 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.950 -18.038 -15.338 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.193 -18.347 -18.375 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.839 -19.513 -17.196 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.734 -20.064 -18.477 1.00 0.00 H new ATOM 745 N ASP A 47 -2.322 -21.261 -17.202 1.00 0.00 N ATOM 746 CA ASP A 47 -3.317 -21.218 -18.257 1.00 0.00 C ATOM 747 C ASP A 47 -4.617 -20.598 -17.738 1.00 0.00 C ATOM 748 O ASP A 47 -5.110 -19.609 -18.277 1.00 0.00 O ATOM 749 CB ASP A 47 -3.536 -22.642 -18.769 1.00 0.00 C ATOM 750 CG ASP A 47 -4.654 -22.688 -19.805 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.363 -22.334 -20.967 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.778 -23.065 -19.409 1.00 0.00 O ATOM 0 H ASP A 47 -1.941 -22.188 -17.014 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.972 -20.592 -19.080 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.613 -23.019 -19.209 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.783 -23.298 -17.934 1.00 0.00 H new ATOM 757 N GLU A 48 -5.146 -21.177 -16.662 1.00 0.00 N ATOM 758 CA GLU A 48 -6.415 -20.770 -16.084 1.00 0.00 C ATOM 759 C GLU A 48 -6.282 -19.357 -15.523 1.00 0.00 C ATOM 760 O GLU A 48 -7.091 -18.476 -15.809 1.00 0.00 O ATOM 761 CB GLU A 48 -6.798 -21.750 -14.970 1.00 0.00 C ATOM 762 CG GLU A 48 -6.946 -23.189 -15.481 1.00 0.00 C ATOM 763 CD GLU A 48 -7.203 -24.150 -14.326 1.00 0.00 C ATOM 764 OE1 GLU A 48 -6.221 -24.446 -13.612 1.00 0.00 O ATOM 765 OE2 GLU A 48 -8.374 -24.560 -14.171 1.00 0.00 O ATOM 0 H GLU A 48 -4.698 -21.948 -16.166 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.193 -20.777 -16.847 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.039 -21.721 -14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.736 -21.431 -14.516 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.768 -23.243 -16.195 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.042 -23.486 -16.013 1.00 0.00 H new ATOM 772 N LEU A 49 -5.241 -19.158 -14.713 1.00 0.00 N ATOM 773 CA LEU A 49 -4.955 -17.897 -14.064 1.00 0.00 C ATOM 774 C LEU A 49 -4.888 -16.797 -15.116 1.00 0.00 C ATOM 775 O LEU A 49 -5.647 -15.840 -15.036 1.00 0.00 O ATOM 776 CB LEU A 49 -3.659 -18.015 -13.251 1.00 0.00 C ATOM 777 CG LEU A 49 -3.284 -16.735 -12.487 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.373 -16.328 -11.486 1.00 0.00 C ATOM 779 CD2 LEU A 49 -1.966 -16.970 -11.739 1.00 0.00 C ATOM 0 H LEU A 49 -4.565 -19.889 -14.491 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.749 -17.637 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.761 -18.834 -12.539 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.842 -18.277 -13.924 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.178 -15.926 -13.209 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.069 -15.419 -10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.307 -16.147 -12.018 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.518 -17.129 -10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.691 -16.067 -11.194 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.088 -17.795 -11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.181 -17.215 -12.454 1.00 0.00 H new ATOM 791 N PHE A 50 -4.015 -16.937 -16.117 1.00 0.00 N ATOM 792 CA PHE A 50 -3.862 -15.941 -17.163 1.00 0.00 C ATOM 793 C PHE A 50 -5.179 -15.742 -17.911 1.00 0.00 C ATOM 794 O PHE A 50 -5.560 -14.604 -18.171 1.00 0.00 O ATOM 795 CB PHE A 50 -2.719 -16.320 -18.111 1.00 0.00 C ATOM 796 CG PHE A 50 -2.192 -15.151 -18.920 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.821 -14.762 -20.116 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.082 -14.424 -18.451 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.300 -13.692 -20.862 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.568 -13.354 -19.201 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.154 -13.011 -20.424 1.00 0.00 C ATOM 0 H PHE A 50 -3.399 -17.744 -16.219 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.599 -14.989 -16.703 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.902 -16.747 -17.530 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.065 -17.097 -18.793 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.702 -15.284 -20.460 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.624 -14.690 -17.510 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.785 -13.391 -21.779 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.280 -12.796 -18.833 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.726 -12.225 -21.029 1.00 0.00 H new ATOM 811 N GLU A 51 -5.886 -16.829 -18.244 1.00 0.00 N ATOM 812 CA GLU A 51 -7.166 -16.732 -18.938 1.00 0.00 C ATOM 813 C GLU A 51 -8.158 -15.872 -18.148 1.00 0.00 C ATOM 814 O GLU A 51 -8.866 -15.046 -18.720 1.00 0.00 O ATOM 815 CB GLU A 51 -7.713 -18.141 -19.208 1.00 0.00 C ATOM 816 CG GLU A 51 -9.013 -18.124 -20.023 1.00 0.00 C ATOM 817 CD GLU A 51 -9.503 -19.542 -20.302 1.00 0.00 C ATOM 818 OE1 GLU A 51 -9.897 -20.207 -19.319 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.475 -19.934 -21.488 1.00 0.00 O ATOM 0 H GLU A 51 -5.589 -17.784 -18.042 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.017 -16.235 -19.897 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.961 -18.722 -19.742 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.891 -18.646 -18.258 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.779 -17.571 -19.480 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.849 -17.600 -20.965 1.00 0.00 H new ATOM 826 N GLU A 52 -8.218 -16.080 -16.833 1.00 0.00 N ATOM 827 CA GLU A 52 -9.146 -15.367 -15.968 1.00 0.00 C ATOM 828 C GLU A 52 -8.696 -13.910 -15.824 1.00 0.00 C ATOM 829 O GLU A 52 -9.466 -12.978 -16.042 1.00 0.00 O ATOM 830 CB GLU A 52 -9.228 -16.087 -14.615 1.00 0.00 C ATOM 831 CG GLU A 52 -10.345 -15.506 -13.738 1.00 0.00 C ATOM 832 CD GLU A 52 -10.425 -16.221 -12.394 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.810 -17.410 -12.403 1.00 0.00 O ATOM 834 OE2 GLU A 52 -10.088 -15.567 -11.383 1.00 0.00 O ATOM 0 H GLU A 52 -7.624 -16.748 -16.342 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.146 -15.358 -16.402 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.406 -17.150 -14.777 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.273 -16.000 -14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.167 -14.443 -13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.300 -15.594 -14.256 1.00 0.00 H new ATOM 841 N LEU A 53 -7.436 -13.748 -15.426 1.00 0.00 N ATOM 842 CA LEU A 53 -6.761 -12.494 -15.144 1.00 0.00 C ATOM 843 C LEU A 53 -6.858 -11.570 -16.360 1.00 0.00 C ATOM 844 O LEU A 53 -7.387 -10.463 -16.268 1.00 0.00 O ATOM 845 CB LEU A 53 -5.306 -12.851 -14.784 1.00 0.00 C ATOM 846 CG LEU A 53 -4.414 -11.790 -14.128 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.987 -12.363 -14.097 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.415 -10.446 -14.851 1.00 0.00 C ATOM 0 H LEU A 53 -6.821 -14.549 -15.284 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.218 -11.954 -14.315 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.335 -13.712 -14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.812 -13.174 -15.700 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.804 -11.582 -13.132 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.314 -11.639 -13.637 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.978 -13.286 -13.518 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.656 -12.570 -15.115 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.761 -9.750 -14.326 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.056 -10.581 -15.871 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.428 -10.045 -14.873 1.00 0.00 H new ATOM 860 N ASP A 54 -6.331 -12.009 -17.506 1.00 0.00 N ATOM 861 CA ASP A 54 -6.155 -11.171 -18.683 1.00 0.00 C ATOM 862 C ASP A 54 -7.445 -11.026 -19.494 1.00 0.00 C ATOM 863 O ASP A 54 -7.427 -11.140 -20.720 1.00 0.00 O ATOM 864 CB ASP A 54 -5.032 -11.744 -19.557 1.00 0.00 C ATOM 865 CG ASP A 54 -4.519 -10.715 -20.561 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.891 -9.532 -20.413 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.760 -11.122 -21.465 1.00 0.00 O ATOM 0 H ASP A 54 -6.012 -12.969 -17.639 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.884 -10.172 -18.343 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.210 -12.075 -18.923 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.397 -12.622 -20.090 1.00 0.00 H new ATOM 872 N LYS A 55 -8.562 -10.779 -18.814 1.00 0.00 N ATOM 873 CA LYS A 55 -9.895 -10.821 -19.394 1.00 0.00 C ATOM 874 C LYS A 55 -9.996 -9.943 -20.644 1.00 0.00 C ATOM 875 O LYS A 55 -10.505 -10.379 -21.674 1.00 0.00 O ATOM 876 CB LYS A 55 -10.918 -10.415 -18.321 1.00 0.00 C ATOM 877 CG LYS A 55 -12.380 -10.504 -18.785 1.00 0.00 C ATOM 878 CD LYS A 55 -12.821 -11.860 -19.363 1.00 0.00 C ATOM 879 CE LYS A 55 -12.806 -13.022 -18.357 1.00 0.00 C ATOM 880 NZ LYS A 55 -11.464 -13.593 -18.144 1.00 0.00 N ATOM 0 H LYS A 55 -8.562 -10.539 -17.823 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.112 -11.837 -19.723 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.785 -11.053 -17.447 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.710 -9.393 -18.004 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.024 -10.265 -17.939 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.548 -9.737 -19.541 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.829 -11.758 -19.765 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.169 -12.113 -20.199 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.200 -12.672 -17.403 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.475 -13.807 -18.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.552 -14.589 -17.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.917 -13.534 -19.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.974 -13.060 -17.397 1.00 0.00 H new ATOM 894 N ALA A 56 -9.531 -8.697 -20.542 1.00 0.00 N ATOM 895 CA ALA A 56 -9.590 -7.735 -21.632 1.00 0.00 C ATOM 896 C ALA A 56 -8.441 -7.946 -22.620 1.00 0.00 C ATOM 897 O ALA A 56 -8.648 -7.916 -23.830 1.00 0.00 O ATOM 898 CB ALA A 56 -9.562 -6.314 -21.063 1.00 0.00 C ATOM 0 H ALA A 56 -9.101 -8.329 -19.693 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.521 -7.883 -22.178 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.606 -5.594 -21.880 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.418 -6.169 -20.405 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.641 -6.166 -20.499 1.00 0.00 H new ATOM 904 N GLY A 57 -7.217 -8.103 -22.107 1.00 0.00 N ATOM 905 CA GLY A 57 -6.018 -8.089 -22.933 1.00 0.00 C ATOM 906 C GLY A 57 -5.852 -9.362 -23.763 1.00 0.00 C ATOM 907 O GLY A 57 -5.344 -9.289 -24.881 1.00 0.00 O ATOM 0 H GLY A 57 -7.036 -8.242 -21.113 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.053 -7.228 -23.601 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.144 -7.962 -22.294 1.00 0.00 H new ATOM 911 N ASP A 58 -6.256 -10.520 -23.225 1.00 0.00 N ATOM 912 CA ASP A 58 -6.182 -11.847 -23.841 1.00 0.00 C ATOM 913 C ASP A 58 -4.748 -12.355 -24.051 1.00 0.00 C ATOM 914 O ASP A 58 -4.402 -13.435 -23.579 1.00 0.00 O ATOM 915 CB ASP A 58 -7.006 -11.911 -25.133 1.00 0.00 C ATOM 916 CG ASP A 58 -6.982 -13.319 -25.720 1.00 0.00 C ATOM 917 OD1 ASP A 58 -7.795 -14.145 -25.251 1.00 0.00 O ATOM 918 OD2 ASP A 58 -6.146 -13.545 -26.621 1.00 0.00 O ATOM 0 H ASP A 58 -6.667 -10.555 -22.292 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.628 -12.534 -23.122 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.035 -11.614 -24.929 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.608 -11.202 -25.859 1.00 0.00 H new ATOM 923 N GLY A 59 -3.926 -11.607 -24.788 1.00 0.00 N ATOM 924 CA GLY A 59 -2.549 -11.958 -25.098 1.00 0.00 C ATOM 925 C GLY A 59 -1.594 -11.522 -23.990 1.00 0.00 C ATOM 926 O GLY A 59 -0.767 -12.316 -23.539 1.00 0.00 O ATOM 0 H GLY A 59 -4.212 -10.717 -25.195 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.471 -13.036 -25.243 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.256 -11.489 -26.037 1.00 0.00 H new ATOM 930 N GLU A 60 -1.682 -10.248 -23.594 1.00 0.00 N ATOM 931 CA GLU A 60 -0.774 -9.589 -22.668 1.00 0.00 C ATOM 932 C GLU A 60 -1.584 -8.940 -21.542 1.00 0.00 C ATOM 933 O GLU A 60 -2.607 -8.313 -21.800 1.00 0.00 O ATOM 934 CB GLU A 60 0.025 -8.508 -23.413 1.00 0.00 C ATOM 935 CG GLU A 60 1.258 -8.996 -24.182 1.00 0.00 C ATOM 936 CD GLU A 60 0.965 -10.035 -25.257 1.00 0.00 C ATOM 937 OE1 GLU A 60 0.042 -9.788 -26.063 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.693 -11.053 -25.262 1.00 0.00 O ATOM 0 H GLU A 60 -2.420 -9.628 -23.927 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.085 -10.322 -22.248 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.643 -8.009 -24.115 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.345 -7.758 -22.690 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.743 -8.138 -24.647 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.969 -9.418 -23.472 1.00 0.00 H new ATOM 945 N VAL A 61 -1.089 -9.039 -20.307 1.00 0.00 N ATOM 946 CA VAL A 61 -1.702 -8.471 -19.115 1.00 0.00 C ATOM 947 C VAL A 61 -1.191 -7.044 -18.964 1.00 0.00 C ATOM 948 O VAL A 61 -0.009 -6.836 -18.692 1.00 0.00 O ATOM 949 CB VAL A 61 -1.329 -9.350 -17.904 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.567 -8.717 -16.528 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.151 -10.633 -17.971 1.00 0.00 C ATOM 0 H VAL A 61 -0.220 -9.535 -20.107 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.789 -8.446 -19.186 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.254 -9.513 -17.982 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.272 -9.419 -15.748 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.975 -7.806 -16.439 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.624 -8.475 -16.417 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.902 -11.270 -17.122 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.212 -10.387 -17.941 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.927 -11.161 -18.898 1.00 0.00 H new ATOM 961 N SER A 62 -2.071 -6.060 -19.163 1.00 0.00 N ATOM 962 CA SER A 62 -1.777 -4.667 -18.871 1.00 0.00 C ATOM 963 C SER A 62 -1.837 -4.437 -17.366 1.00 0.00 C ATOM 964 O SER A 62 -2.355 -5.277 -16.633 1.00 0.00 O ATOM 965 CB SER A 62 -2.746 -3.759 -19.638 1.00 0.00 C ATOM 966 OG SER A 62 -4.065 -3.950 -19.167 1.00 0.00 O ATOM 0 H SER A 62 -3.009 -6.214 -19.533 1.00 0.00 H new ATOM 0 HA SER A 62 -0.769 -4.418 -19.202 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.455 -2.716 -19.514 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.697 -3.979 -20.704 1.00 0.00 H new ATOM 0 HG SER A 62 -4.610 -3.167 -19.393 1.00 0.00 H new ATOM 972 N PHE A 63 -1.331 -3.296 -16.890 1.00 0.00 N ATOM 973 CA PHE A 63 -1.377 -2.979 -15.466 1.00 0.00 C ATOM 974 C PHE A 63 -2.821 -2.993 -14.947 1.00 0.00 C ATOM 975 O PHE A 63 -3.085 -3.352 -13.800 1.00 0.00 O ATOM 976 CB PHE A 63 -0.684 -1.640 -15.184 1.00 0.00 C ATOM 977 CG PHE A 63 -0.529 -1.347 -13.704 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.241 -2.206 -12.899 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.230 -0.281 -13.112 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.260 -2.039 -11.504 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.157 -0.074 -11.723 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.427 -0.964 -10.916 1.00 0.00 C ATOM 0 H PHE A 63 -0.888 -2.582 -17.468 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.830 -3.751 -14.924 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.300 -1.642 -15.652 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.256 -0.837 -15.649 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.819 -2.996 -13.355 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.825 0.380 -13.725 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.803 -2.737 -10.884 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.662 0.769 -11.276 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.394 -0.822 -9.846 1.00 0.00 H new ATOM 992 N GLU A 64 -3.774 -2.619 -15.805 1.00 0.00 N ATOM 993 CA GLU A 64 -5.201 -2.729 -15.532 1.00 0.00 C ATOM 994 C GLU A 64 -5.553 -4.157 -15.133 1.00 0.00 C ATOM 995 O GLU A 64 -6.113 -4.391 -14.065 1.00 0.00 O ATOM 996 CB GLU A 64 -6.005 -2.327 -16.779 1.00 0.00 C ATOM 997 CG GLU A 64 -5.654 -0.943 -17.348 1.00 0.00 C ATOM 998 CD GLU A 64 -6.057 -0.851 -18.817 1.00 0.00 C ATOM 999 OE1 GLU A 64 -5.439 -1.595 -19.613 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -6.969 -0.050 -19.114 1.00 0.00 O ATOM 0 H GLU A 64 -3.567 -2.225 -16.723 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.453 -2.059 -14.710 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.845 -3.076 -17.555 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.067 -2.345 -16.532 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.164 -0.168 -16.776 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.584 -0.762 -17.246 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.204 -5.115 -15.993 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.510 -6.506 -15.723 1.00 0.00 C ATOM 1009 C GLU A 65 -4.707 -6.958 -14.501 1.00 0.00 C ATOM 1010 O GLU A 65 -5.225 -7.629 -13.614 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.227 -7.345 -16.976 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.003 -6.864 -18.211 1.00 0.00 C ATOM 1013 CD GLU A 65 -7.511 -6.836 -17.994 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -8.141 -7.879 -18.270 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -8.010 -5.767 -17.581 1.00 0.00 O ATOM 0 H GLU A 65 -4.714 -4.948 -16.872 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.566 -6.641 -15.488 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.159 -7.316 -17.192 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.484 -8.385 -16.775 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.662 -5.865 -18.481 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.775 -7.517 -19.053 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.444 -6.542 -14.420 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.561 -6.905 -13.326 1.00 0.00 C ATOM 1024 C PHE A 66 -3.162 -6.516 -11.980 1.00 0.00 C ATOM 1025 O PHE A 66 -3.126 -7.301 -11.039 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.189 -6.263 -13.506 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.139 -6.898 -12.625 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.416 -8.140 -12.986 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.242 -6.284 -11.419 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.427 -8.714 -12.200 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.243 -6.865 -10.628 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.853 -8.063 -11.032 1.00 0.00 C ATOM 0 H PHE A 66 -3.007 -5.940 -15.118 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.441 -7.988 -13.339 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.885 -6.348 -14.549 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.256 -5.199 -13.279 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.063 -8.652 -13.869 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.235 -5.368 -11.103 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.875 -9.652 -12.493 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.545 -6.390 -9.706 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.653 -8.485 -10.442 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.744 -5.323 -11.870 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.406 -4.916 -10.639 1.00 0.00 C ATOM 1044 C GLN A 67 -5.498 -5.910 -10.216 1.00 0.00 C ATOM 1045 O GLN A 67 -5.712 -6.093 -9.020 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.938 -3.488 -10.772 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.779 -2.484 -10.684 1.00 0.00 C ATOM 1048 CD GLN A 67 -4.188 -1.133 -11.247 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.416 -0.177 -10.514 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.281 -1.052 -12.568 1.00 0.00 N ATOM 0 H GLN A 67 -3.769 -4.627 -12.615 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.668 -4.924 -9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.458 -3.372 -11.723 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.664 -3.287 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.469 -2.371 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.919 -2.866 -11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.083 -1.870 -13.144 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.550 -0.172 -13.007 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.155 -6.601 -11.155 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.049 -7.701 -10.788 1.00 0.00 C ATOM 1061 C VAL A 68 -6.272 -8.789 -10.032 1.00 0.00 C ATOM 1062 O VAL A 68 -6.742 -9.299 -9.017 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.806 -8.266 -12.007 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.877 -9.271 -11.560 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.493 -7.150 -12.807 1.00 0.00 C ATOM 0 H VAL A 68 -6.086 -6.421 -12.157 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.813 -7.306 -10.118 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.068 -8.761 -12.639 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.400 -9.658 -12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.403 -10.095 -11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.590 -8.774 -10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.017 -7.583 -13.659 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.207 -6.630 -12.168 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.743 -6.443 -13.163 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.065 -9.124 -10.495 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.167 -10.030 -9.786 1.00 0.00 C ATOM 1077 C LEU A 69 -3.835 -9.430 -8.414 1.00 0.00 C ATOM 1078 O LEU A 69 -3.943 -10.112 -7.397 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.917 -10.306 -10.650 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.131 -11.600 -10.372 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.392 -11.574 -9.034 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.995 -12.862 -10.448 1.00 0.00 C ATOM 0 H LEU A 69 -4.685 -8.772 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.642 -10.995 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.227 -10.319 -11.695 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.234 -9.465 -10.531 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.395 -11.642 -11.175 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.857 -12.514 -8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.682 -10.747 -9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.110 -11.443 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.379 -13.737 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.795 -12.800 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.426 -12.948 -11.445 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.482 -8.141 -8.358 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.195 -7.468 -7.091 1.00 0.00 C ATOM 1096 C VAL A 70 -4.360 -7.609 -6.103 1.00 0.00 C ATOM 1097 O VAL A 70 -4.139 -7.894 -4.928 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.770 -6.002 -7.286 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.429 -5.356 -5.936 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.537 -5.905 -8.197 1.00 0.00 C ATOM 0 H VAL A 70 -3.389 -7.543 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.336 -7.975 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.607 -5.478 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.131 -4.320 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.304 -5.387 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.610 -5.902 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.256 -4.859 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.709 -6.453 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.770 -6.334 -9.171 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.605 -7.450 -6.558 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.760 -7.667 -5.693 1.00 0.00 C ATOM 1112 C LYS A 71 -6.779 -9.084 -5.097 1.00 0.00 C ATOM 1113 O LYS A 71 -7.319 -9.268 -4.010 1.00 0.00 O ATOM 1114 CB LYS A 71 -8.066 -7.323 -6.421 1.00 0.00 C ATOM 1115 CG LYS A 71 -8.191 -5.804 -6.624 1.00 0.00 C ATOM 1116 CD LYS A 71 -9.560 -5.392 -7.184 1.00 0.00 C ATOM 1117 CE LYS A 71 -9.750 -5.843 -8.636 1.00 0.00 C ATOM 1118 NZ LYS A 71 -11.030 -5.364 -9.185 1.00 0.00 N ATOM 0 H LYS A 71 -5.835 -7.174 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.670 -6.985 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.094 -7.827 -7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.916 -7.689 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.026 -5.299 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.408 -5.467 -7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.348 -5.822 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.664 -4.309 -7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.928 -5.468 -9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.715 -6.931 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.128 -5.686 -10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.815 -5.742 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.052 -4.325 -9.157 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.176 -10.076 -5.765 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.965 -11.389 -5.168 1.00 0.00 C ATOM 1134 C LYS A 72 -4.793 -11.337 -4.181 1.00 0.00 C ATOM 1135 O LYS A 72 -4.948 -11.745 -3.031 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.752 -12.470 -6.237 1.00 0.00 C ATOM 1137 CG LYS A 72 -6.907 -12.516 -7.245 1.00 0.00 C ATOM 1138 CD LYS A 72 -6.685 -13.668 -8.231 1.00 0.00 C ATOM 1139 CE LYS A 72 -7.825 -13.741 -9.250 1.00 0.00 C ATOM 1140 NZ LYS A 72 -7.596 -14.822 -10.224 1.00 0.00 N ATOM 0 H LYS A 72 -5.828 -9.988 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.866 -11.663 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.818 -12.279 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.653 -13.442 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.854 -12.649 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.971 -11.570 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.736 -13.530 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.617 -14.610 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.770 -13.908 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.912 -12.788 -9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.502 -15.101 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.950 -14.488 -10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.175 -15.641 -9.741 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.616 -10.848 -4.607 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.430 -10.859 -3.739 1.00 0.00 C ATOM 1156 C ILE A 73 -2.693 -10.139 -2.414 1.00 0.00 C ATOM 1157 O ILE A 73 -2.121 -10.491 -1.384 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.147 -10.326 -4.415 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -0.918 -8.815 -4.237 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -1.021 -10.763 -5.877 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.244 -8.284 -5.076 1.00 0.00 C ATOM 0 H ILE A 73 -3.463 -10.447 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.240 -11.912 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.333 -10.804 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.829 -8.281 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.726 -8.604 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.101 -10.359 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.998 -11.851 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.875 -10.390 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.355 -7.213 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.163 -8.794 -4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.043 -8.466 -6.132 1.00 0.00 H new ATOM 1173 N SER A 74 -3.534 -9.104 -2.455 1.00 0.00 N ATOM 1174 CA SER A 74 -4.048 -8.356 -1.314 1.00 0.00 C ATOM 1175 C SER A 74 -3.011 -7.389 -0.733 1.00 0.00 C ATOM 1176 O SER A 74 -3.344 -6.246 -0.434 1.00 0.00 O ATOM 1177 CB SER A 74 -4.639 -9.291 -0.249 1.00 0.00 C ATOM 1178 OG SER A 74 -5.621 -10.137 -0.820 1.00 0.00 O ATOM 0 H SER A 74 -3.894 -8.747 -3.340 1.00 0.00 H new ATOM 0 HA SER A 74 -4.864 -7.734 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.846 -9.893 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.081 -8.702 0.555 1.00 0.00 H new ATOM 0 HG SER A 74 -5.209 -10.695 -1.513 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.760 -7.834 -0.573 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.647 -6.998 -0.138 1.00 0.00 C ATOM 1186 C GLN A 75 -0.598 -5.698 -0.958 1.00 0.00 C ATOM 1187 O GLN A 75 -0.599 -5.803 -2.205 1.00 0.00 O ATOM 1188 CB GLN A 75 0.656 -7.814 -0.246 1.00 0.00 C ATOM 1189 CG GLN A 75 1.853 -7.214 0.512 1.00 0.00 C ATOM 1190 CD GLN A 75 2.321 -5.887 -0.078 1.00 0.00 C ATOM 1191 OE1 GLN A 75 2.639 -5.806 -1.259 1.00 0.00 O ATOM 1192 NE2 GLN A 75 2.315 -4.823 0.719 1.00 0.00 N ATOM 1193 OXT GLN A 75 -0.534 -4.620 -0.323 1.00 0.00 O ATOM 0 H GLN A 75 -1.493 -8.803 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.779 -6.701 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.471 -8.820 0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.922 -7.912 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.578 -7.065 1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.680 -7.924 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.046 -4.921 1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.580 -3.909 0.352 1.00 0.00 H new TER 1202 GLN A 75