USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 63 LYS NZ :NH3+ -173:sc=-0.00556 (180deg=-0.0738) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 3 MET CE :methyl -167:sc=-0.00129 (180deg=-0.226) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -137:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -167:sc= 0 (180deg=-0.022) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.15) USER MOD Single : A 11 THR OG1 : rot -42:sc= 0.186 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00509 USER MOD Single : A 17 GLN : amide:sc= -0.0247 K(o=-0.025,f=-2.3) USER MOD Single : A 19 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.55) USER MOD Single : A 22 LYS NZ :NH3+ -107:sc= -0.0322 (180deg=-2.45!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 78:sc= 0.192 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 165:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 34 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.38) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.041) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.041) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.8!) USER MOD Single : A 56 ASN : amide:sc= -0.798 K(o=-0.8,f=-2.3!) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.403) USER MOD Single : A 60 LYS NZ :NH3+ -110:sc= -1.51 (180deg=-3.93!) USER MOD Single : A 66 GLN : amide:sc= -0.0508 X(o=-0.051,f=0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.948 -14.307 16.682 1.00 0.00 N ATOM 2 CA GLY A 1 0.214 -14.690 15.847 1.00 0.00 C ATOM 3 C GLY A 1 1.472 -14.074 16.381 1.00 0.00 C ATOM 4 O GLY A 1 1.881 -13.038 15.857 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.762 -14.906 16.439 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.711 -14.435 17.686 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.188 -13.310 16.507 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.313 -15.775 15.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.052 -14.367 14.819 1.00 0.00 H new ATOM 10 N PRO A 2 2.123 -14.629 17.407 1.00 0.00 N ATOM 11 CA PRO A 2 3.211 -13.962 18.105 1.00 0.00 C ATOM 12 C PRO A 2 4.505 -14.062 17.335 1.00 0.00 C ATOM 13 O PRO A 2 5.422 -13.300 17.640 1.00 0.00 O ATOM 14 CB PRO A 2 3.327 -14.730 19.432 1.00 0.00 C ATOM 15 CG PRO A 2 2.818 -16.138 19.107 1.00 0.00 C ATOM 16 CD PRO A 2 1.721 -15.871 18.073 1.00 0.00 C ATOM 0 HA PRO A 2 3.019 -12.897 18.237 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.357 -14.753 19.788 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.729 -14.263 20.214 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.609 -16.771 18.704 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.427 -16.641 19.991 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.641 -16.693 17.361 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.746 -15.766 18.550 1.00 0.00 H new ATOM 24 N MET A 3 4.606 -15.003 16.367 1.00 0.00 N ATOM 25 CA MET A 3 5.795 -15.219 15.581 1.00 0.00 C ATOM 26 C MET A 3 5.542 -14.625 14.228 1.00 0.00 C ATOM 27 O MET A 3 4.437 -14.167 13.938 1.00 0.00 O ATOM 28 CB MET A 3 6.135 -16.720 15.424 1.00 0.00 C ATOM 29 CG MET A 3 6.414 -17.406 16.774 1.00 0.00 C ATOM 30 SD MET A 3 6.897 -19.159 16.654 1.00 0.00 S ATOM 31 CE MET A 3 5.286 -19.820 16.136 1.00 0.00 C ATOM 0 H MET A 3 3.840 -15.631 16.124 1.00 0.00 H new ATOM 0 HA MET A 3 6.643 -14.754 16.084 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.308 -17.227 14.927 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.007 -16.826 14.779 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.206 -16.860 17.287 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.521 -17.331 17.395 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.293 -20.906 16.226 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.502 -19.408 16.772 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.095 -19.543 15.099 1.00 0.00 H new ATOM 41 N ALA A 4 6.587 -14.601 13.370 1.00 0.00 N ATOM 42 CA ALA A 4 6.463 -14.062 12.044 1.00 0.00 C ATOM 43 C ALA A 4 7.410 -14.788 11.139 1.00 0.00 C ATOM 44 O ALA A 4 8.380 -15.399 11.590 1.00 0.00 O ATOM 45 CB ALA A 4 6.780 -12.553 11.968 1.00 0.00 C ATOM 0 H ALA A 4 7.517 -14.955 13.595 1.00 0.00 H new ATOM 0 HA ALA A 4 5.424 -14.194 11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.668 -12.209 10.940 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.093 -12.004 12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.804 -12.379 12.299 1.00 0.00 H new ATOM 51 N SER A 5 7.121 -14.723 9.818 1.00 0.00 N ATOM 52 CA SER A 5 7.944 -15.262 8.764 1.00 0.00 C ATOM 53 C SER A 5 8.437 -14.083 7.968 1.00 0.00 C ATOM 54 O SER A 5 7.958 -12.964 8.142 1.00 0.00 O ATOM 55 CB SER A 5 7.186 -16.262 7.852 1.00 0.00 C ATOM 56 OG SER A 5 5.949 -15.735 7.385 1.00 0.00 O ATOM 0 H SER A 5 6.275 -14.274 9.468 1.00 0.00 H new ATOM 0 HA SER A 5 8.764 -15.836 9.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.814 -16.520 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.001 -17.184 8.403 1.00 0.00 H new ATOM 0 HG SER A 5 5.506 -16.397 6.814 1.00 0.00 H new ATOM 62 N ASP A 6 9.443 -14.320 7.090 1.00 0.00 N ATOM 63 CA ASP A 6 10.117 -13.276 6.353 1.00 0.00 C ATOM 64 C ASP A 6 9.618 -13.238 4.933 1.00 0.00 C ATOM 65 O ASP A 6 9.525 -14.263 4.258 1.00 0.00 O ATOM 66 CB ASP A 6 11.673 -13.384 6.374 1.00 0.00 C ATOM 67 CG ASP A 6 12.216 -14.709 5.819 1.00 0.00 C ATOM 68 OD1 ASP A 6 12.009 -15.767 6.472 1.00 0.00 O ATOM 69 OD2 ASP A 6 12.851 -14.673 4.732 1.00 0.00 O ATOM 0 H ASP A 6 9.796 -15.255 6.888 1.00 0.00 H new ATOM 0 HA ASP A 6 9.874 -12.344 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.092 -12.561 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.021 -13.262 7.400 1.00 0.00 H new ATOM 74 N LYS A 7 9.295 -12.012 4.466 1.00 0.00 N ATOM 75 CA LYS A 7 9.029 -11.684 3.088 1.00 0.00 C ATOM 76 C LYS A 7 9.888 -10.469 2.864 1.00 0.00 C ATOM 77 O LYS A 7 10.934 -10.329 3.496 1.00 0.00 O ATOM 78 CB LYS A 7 7.532 -11.416 2.756 1.00 0.00 C ATOM 79 CG LYS A 7 6.680 -12.697 2.681 1.00 0.00 C ATOM 80 CD LYS A 7 6.121 -13.213 4.018 1.00 0.00 C ATOM 81 CE LYS A 7 5.752 -14.705 3.974 1.00 0.00 C ATOM 82 NZ LYS A 7 4.822 -15.010 2.862 1.00 0.00 N ATOM 0 H LYS A 7 9.215 -11.204 5.083 1.00 0.00 H new ATOM 0 HA LYS A 7 9.258 -12.520 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.113 -10.754 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.468 -10.890 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.844 -12.515 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.284 -13.486 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.860 -13.049 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.238 -12.633 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.658 -15.300 3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.294 -14.994 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.183 -15.780 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.264 -14.163 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.366 -15.302 2.025 1.00 0.00 H new ATOM 96 N ARG A 8 9.487 -9.570 1.939 1.00 0.00 N ATOM 97 CA ARG A 8 10.263 -8.398 1.623 1.00 0.00 C ATOM 98 C ARG A 8 9.318 -7.317 1.162 1.00 0.00 C ATOM 99 O ARG A 8 8.222 -7.636 0.702 1.00 0.00 O ATOM 100 CB ARG A 8 11.299 -8.664 0.497 1.00 0.00 C ATOM 101 CG ARG A 8 10.691 -9.114 -0.846 1.00 0.00 C ATOM 102 CD ARG A 8 11.754 -9.436 -1.909 1.00 0.00 C ATOM 103 NE ARG A 8 11.082 -9.739 -3.219 1.00 0.00 N ATOM 104 CZ ARG A 8 10.536 -10.956 -3.529 1.00 0.00 C ATOM 105 NH1 ARG A 8 10.574 -12.000 -2.652 1.00 0.00 N ATOM 106 NH2 ARG A 8 9.937 -11.126 -4.745 1.00 0.00 N ATOM 0 H ARG A 8 8.621 -9.654 1.406 1.00 0.00 H new ATOM 0 HA ARG A 8 10.812 -8.103 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.877 -7.755 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.997 -9.428 0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.072 -9.996 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.035 -8.329 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.434 -8.592 -2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.354 -10.288 -1.591 1.00 0.00 H new ATOM 0 HE ARG A 8 11.030 -8.996 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.017 -11.884 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.160 -12.896 -2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.901 -10.352 -5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.526 -12.027 -4.990 1.00 0.00 H new ATOM 120 N PRO A 9 9.680 -6.033 1.226 1.00 0.00 N ATOM 121 CA PRO A 9 9.089 -4.998 0.393 1.00 0.00 C ATOM 122 C PRO A 9 9.632 -5.147 -1.010 1.00 0.00 C ATOM 123 O PRO A 9 10.753 -5.633 -1.169 1.00 0.00 O ATOM 124 CB PRO A 9 9.577 -3.690 1.030 1.00 0.00 C ATOM 125 CG PRO A 9 10.922 -4.042 1.675 1.00 0.00 C ATOM 126 CD PRO A 9 10.736 -5.503 2.096 1.00 0.00 C ATOM 0 HA PRO A 9 8.001 -5.040 0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.691 -2.905 0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.867 -3.323 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.748 -3.927 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.139 -3.401 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.662 -6.066 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.452 -5.575 3.146 1.00 0.00 H new ATOM 134 N ARG A 10 8.845 -4.767 -2.044 1.00 0.00 N ATOM 135 CA ARG A 10 9.201 -5.028 -3.417 1.00 0.00 C ATOM 136 C ARG A 10 9.961 -3.867 -3.985 1.00 0.00 C ATOM 137 O ARG A 10 9.988 -2.771 -3.428 1.00 0.00 O ATOM 138 CB ARG A 10 7.975 -5.334 -4.311 1.00 0.00 C ATOM 139 CG ARG A 10 7.204 -6.599 -3.884 1.00 0.00 C ATOM 140 CD ARG A 10 8.047 -7.881 -3.954 1.00 0.00 C ATOM 141 NE ARG A 10 7.224 -9.041 -3.473 1.00 0.00 N ATOM 142 CZ ARG A 10 6.579 -9.919 -4.302 1.00 0.00 C ATOM 143 NH1 ARG A 10 6.642 -9.796 -5.658 1.00 0.00 N ATOM 144 NH2 ARG A 10 5.854 -10.938 -3.753 1.00 0.00 N ATOM 0 H ARG A 10 7.958 -4.277 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 10 9.827 -5.920 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.297 -4.480 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.307 -5.451 -5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.841 -6.467 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.328 -6.714 -4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.380 -8.056 -4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.942 -7.776 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 10 7.140 -9.184 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.179 -9.037 -6.077 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.152 -10.463 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.799 -11.036 -2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.367 -11.601 -4.357 1.00 0.00 H new ATOM 158 N THR A 11 10.632 -4.144 -5.126 1.00 0.00 N ATOM 159 CA THR A 11 11.545 -3.258 -5.807 1.00 0.00 C ATOM 160 C THR A 11 10.814 -2.557 -6.933 1.00 0.00 C ATOM 161 O THR A 11 11.408 -1.770 -7.671 1.00 0.00 O ATOM 162 CB THR A 11 12.759 -4.038 -6.315 1.00 0.00 C ATOM 163 OG1 THR A 11 13.803 -3.183 -6.774 1.00 0.00 O ATOM 164 CG2 THR A 11 12.383 -5.069 -7.405 1.00 0.00 C ATOM 0 H THR A 11 10.532 -5.040 -5.603 1.00 0.00 H new ATOM 0 HA THR A 11 11.914 -2.501 -5.115 1.00 0.00 H new ATOM 0 HB THR A 11 13.137 -4.588 -5.453 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.418 -2.444 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.279 -5.596 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.669 -5.785 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.935 -4.553 -8.254 1.00 0.00 H new ATOM 172 N ALA A 12 9.485 -2.800 -7.068 1.00 0.00 N ATOM 173 CA ALA A 12 8.642 -2.186 -8.069 1.00 0.00 C ATOM 174 C ALA A 12 8.067 -0.892 -7.544 1.00 0.00 C ATOM 175 O ALA A 12 7.017 -0.435 -7.992 1.00 0.00 O ATOM 176 CB ALA A 12 7.475 -3.116 -8.458 1.00 0.00 C ATOM 0 H ALA A 12 8.980 -3.445 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 12 9.260 -1.996 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.857 -2.629 -9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.871 -4.048 -8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.870 -3.329 -7.577 1.00 0.00 H new ATOM 182 N PHE A 13 8.774 -0.278 -6.572 1.00 0.00 N ATOM 183 CA PHE A 13 8.408 0.952 -5.927 1.00 0.00 C ATOM 184 C PHE A 13 9.665 1.774 -5.915 1.00 0.00 C ATOM 185 O PHE A 13 10.732 1.295 -6.300 1.00 0.00 O ATOM 186 CB PHE A 13 7.978 0.755 -4.449 1.00 0.00 C ATOM 187 CG PHE A 13 6.691 -0.015 -4.340 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.651 -1.419 -4.467 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.494 0.670 -4.078 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.433 -2.108 -4.387 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.283 -0.019 -3.974 1.00 0.00 C ATOM 192 CZ PHE A 13 4.249 -1.403 -4.146 1.00 0.00 C ATOM 0 H PHE A 13 9.650 -0.661 -6.217 1.00 0.00 H new ATOM 0 HA PHE A 13 7.567 1.402 -6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.764 0.227 -3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.861 1.728 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.567 -1.968 -4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.509 1.743 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.409 -3.181 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.372 0.520 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.308 -1.930 -4.093 1.00 0.00 H new ATOM 202 N THR A 14 9.561 3.041 -5.447 1.00 0.00 N ATOM 203 CA THR A 14 10.706 3.875 -5.158 1.00 0.00 C ATOM 204 C THR A 14 10.781 3.941 -3.655 1.00 0.00 C ATOM 205 O THR A 14 9.941 3.373 -2.961 1.00 0.00 O ATOM 206 CB THR A 14 10.658 5.267 -5.786 1.00 0.00 C ATOM 207 OG1 THR A 14 9.506 6.004 -5.388 1.00 0.00 O ATOM 208 CG2 THR A 14 10.660 5.110 -7.321 1.00 0.00 C ATOM 0 H THR A 14 8.667 3.497 -5.265 1.00 0.00 H new ATOM 0 HA THR A 14 11.599 3.438 -5.605 1.00 0.00 H new ATOM 0 HB THR A 14 11.530 5.824 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.520 6.887 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.626 6.095 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.567 4.592 -7.633 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.788 4.532 -7.629 1.00 0.00 H new ATOM 216 N ALA A 15 11.804 4.640 -3.115 1.00 0.00 N ATOM 217 CA ALA A 15 12.042 4.755 -1.694 1.00 0.00 C ATOM 218 C ALA A 15 11.007 5.629 -1.035 1.00 0.00 C ATOM 219 O ALA A 15 10.664 5.426 0.127 1.00 0.00 O ATOM 220 CB ALA A 15 13.424 5.366 -1.401 1.00 0.00 C ATOM 0 H ALA A 15 12.489 5.142 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 15 11.990 3.743 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.569 5.438 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.200 4.733 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.483 6.361 -1.842 1.00 0.00 H new ATOM 226 N GLU A 16 10.479 6.620 -1.795 1.00 0.00 N ATOM 227 CA GLU A 16 9.508 7.583 -1.351 1.00 0.00 C ATOM 228 C GLU A 16 8.147 6.961 -1.217 1.00 0.00 C ATOM 229 O GLU A 16 7.345 7.380 -0.384 1.00 0.00 O ATOM 230 CB GLU A 16 9.395 8.743 -2.365 1.00 0.00 C ATOM 231 CG GLU A 16 10.723 9.493 -2.569 1.00 0.00 C ATOM 232 CD GLU A 16 10.522 10.634 -3.564 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.193 10.341 -4.745 1.00 0.00 O ATOM 234 OE2 GLU A 16 10.698 11.815 -3.159 1.00 0.00 O ATOM 0 H GLU A 16 10.746 6.754 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 16 9.844 7.951 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.055 8.349 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.636 9.446 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.080 9.886 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.486 8.807 -2.937 1.00 0.00 H new ATOM 241 N GLN A 17 7.869 5.929 -2.047 1.00 0.00 N ATOM 242 CA GLN A 17 6.596 5.257 -2.088 1.00 0.00 C ATOM 243 C GLN A 17 6.514 4.285 -0.948 1.00 0.00 C ATOM 244 O GLN A 17 5.542 4.309 -0.198 1.00 0.00 O ATOM 245 CB GLN A 17 6.355 4.514 -3.418 1.00 0.00 C ATOM 246 CG GLN A 17 6.172 5.483 -4.599 1.00 0.00 C ATOM 247 CD GLN A 17 5.947 4.698 -5.897 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.260 3.507 -5.987 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.385 5.402 -6.926 1.00 0.00 N ATOM 0 H GLN A 17 8.548 5.551 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 17 5.822 6.020 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.197 3.852 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.470 3.885 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.323 6.141 -4.411 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.052 6.118 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.145 6.385 -6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.206 4.944 -7.820 1.00 0.00 H new ATOM 258 N LEU A 18 7.563 3.441 -0.778 1.00 0.00 N ATOM 259 CA LEU A 18 7.705 2.437 0.255 1.00 0.00 C ATOM 260 C LEU A 18 7.567 3.001 1.645 1.00 0.00 C ATOM 261 O LEU A 18 6.939 2.378 2.499 1.00 0.00 O ATOM 262 CB LEU A 18 9.096 1.763 0.185 1.00 0.00 C ATOM 263 CG LEU A 18 9.288 0.813 -1.019 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.760 0.385 -1.161 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.361 -0.414 -0.955 1.00 0.00 C ATOM 0 H LEU A 18 8.367 3.461 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 18 6.903 1.722 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.860 2.539 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.260 1.201 1.105 1.00 0.00 H new ATOM 0 HG LEU A 18 9.007 1.376 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.864 -0.283 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.382 1.267 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.077 -0.133 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.536 -1.048 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.567 -0.979 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.322 -0.085 -0.950 1.00 0.00 H new ATOM 277 N GLN A 19 8.142 4.207 1.876 1.00 0.00 N ATOM 278 CA GLN A 19 8.155 4.939 3.125 1.00 0.00 C ATOM 279 C GLN A 19 6.770 5.146 3.668 1.00 0.00 C ATOM 280 O GLN A 19 6.497 4.863 4.834 1.00 0.00 O ATOM 281 CB GLN A 19 8.870 6.302 2.926 1.00 0.00 C ATOM 282 CG GLN A 19 8.913 7.252 4.142 1.00 0.00 C ATOM 283 CD GLN A 19 7.660 8.140 4.201 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.347 8.847 3.235 1.00 0.00 O ATOM 285 NE2 GLN A 19 6.934 8.091 5.358 1.00 0.00 N ATOM 0 H GLN A 19 8.634 4.708 1.136 1.00 0.00 H new ATOM 0 HA GLN A 19 8.702 4.345 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.895 6.105 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.381 6.825 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.992 6.669 5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.803 7.879 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.237 7.490 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.090 8.655 5.454 1.00 0.00 H new ATOM 294 N ARG A 20 5.867 5.636 2.794 1.00 0.00 N ATOM 295 CA ARG A 20 4.494 5.948 3.101 1.00 0.00 C ATOM 296 C ARG A 20 3.709 4.716 3.482 1.00 0.00 C ATOM 297 O ARG A 20 2.939 4.752 4.435 1.00 0.00 O ATOM 298 CB ARG A 20 3.786 6.632 1.907 1.00 0.00 C ATOM 299 CG ARG A 20 2.451 7.296 2.287 1.00 0.00 C ATOM 300 CD ARG A 20 1.637 7.814 1.094 1.00 0.00 C ATOM 301 NE ARG A 20 2.405 8.896 0.394 1.00 0.00 N ATOM 302 CZ ARG A 20 1.893 9.577 -0.675 1.00 0.00 C ATOM 303 NH1 ARG A 20 0.643 9.302 -1.150 1.00 0.00 N ATOM 304 NH2 ARG A 20 2.646 10.541 -1.281 1.00 0.00 N ATOM 0 H ARG A 20 6.104 5.826 1.820 1.00 0.00 H new ATOM 0 HA ARG A 20 4.523 6.632 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.450 7.385 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.606 5.891 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.846 6.577 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.652 8.128 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.426 6.998 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.676 8.199 1.436 1.00 0.00 H new ATOM 0 HE ARG A 20 3.340 9.131 0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.076 8.579 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.276 9.819 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.583 10.748 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.272 11.054 -2.079 1.00 0.00 H new ATOM 318 N LEU A 21 3.904 3.593 2.746 1.00 0.00 N ATOM 319 CA LEU A 21 3.150 2.365 2.906 1.00 0.00 C ATOM 320 C LEU A 21 3.402 1.675 4.217 1.00 0.00 C ATOM 321 O LEU A 21 2.539 0.953 4.710 1.00 0.00 O ATOM 322 CB LEU A 21 3.508 1.309 1.840 1.00 0.00 C ATOM 323 CG LEU A 21 3.328 1.772 0.385 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.897 0.732 -0.594 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.863 2.112 0.049 1.00 0.00 C ATOM 0 H LEU A 21 4.611 3.535 2.013 1.00 0.00 H new ATOM 0 HA LEU A 21 2.115 2.699 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.545 1.006 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.892 0.425 2.004 1.00 0.00 H new ATOM 0 HG LEU A 21 3.894 2.697 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.758 1.081 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.960 0.593 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.376 -0.216 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.793 2.433 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.241 1.229 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.517 2.914 0.701 1.00 0.00 H new ATOM 337 N LYS A 22 4.607 1.872 4.797 1.00 0.00 N ATOM 338 CA LYS A 22 5.040 1.257 6.031 1.00 0.00 C ATOM 339 C LYS A 22 4.377 1.923 7.203 1.00 0.00 C ATOM 340 O LYS A 22 4.116 1.285 8.222 1.00 0.00 O ATOM 341 CB LYS A 22 6.571 1.372 6.182 1.00 0.00 C ATOM 342 CG LYS A 22 7.311 0.432 5.217 1.00 0.00 C ATOM 343 CD LYS A 22 8.751 0.871 4.915 1.00 0.00 C ATOM 344 CE LYS A 22 9.605 -0.223 4.254 1.00 0.00 C ATOM 345 NZ LYS A 22 9.015 -0.679 2.975 1.00 0.00 N ATOM 0 H LYS A 22 5.313 2.486 4.391 1.00 0.00 H new ATOM 0 HA LYS A 22 4.759 0.204 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.879 2.401 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.854 1.136 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.328 -0.572 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.754 0.373 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.726 1.744 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.229 1.181 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.611 0.158 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.701 -1.070 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.607 -1.627 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.269 -0.017 2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.754 -0.714 2.244 1.00 0.00 H new ATOM 359 N ALA A 23 4.058 3.229 7.056 1.00 0.00 N ATOM 360 CA ALA A 23 3.352 4.007 8.044 1.00 0.00 C ATOM 361 C ALA A 23 1.872 3.729 7.953 1.00 0.00 C ATOM 362 O ALA A 23 1.154 3.842 8.944 1.00 0.00 O ATOM 363 CB ALA A 23 3.567 5.517 7.840 1.00 0.00 C ATOM 0 H ALA A 23 4.299 3.763 6.221 1.00 0.00 H new ATOM 0 HA ALA A 23 3.743 3.721 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.019 6.069 8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.630 5.747 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.205 5.806 6.853 1.00 0.00 H new ATOM 369 N GLU A 24 1.391 3.352 6.745 1.00 0.00 N ATOM 370 CA GLU A 24 -0.002 3.118 6.460 1.00 0.00 C ATOM 371 C GLU A 24 -0.389 1.694 6.743 1.00 0.00 C ATOM 372 O GLU A 24 -1.579 1.409 6.831 1.00 0.00 O ATOM 373 CB GLU A 24 -0.354 3.442 4.992 1.00 0.00 C ATOM 374 CG GLU A 24 -0.361 4.957 4.723 1.00 0.00 C ATOM 375 CD GLU A 24 -0.683 5.233 3.258 1.00 0.00 C ATOM 376 OE1 GLU A 24 0.030 4.684 2.376 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.641 6.010 3.001 1.00 0.00 O ATOM 0 H GLU A 24 1.995 3.205 5.936 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.561 3.786 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.366 2.960 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.333 3.027 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.098 5.443 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.610 5.383 4.975 1.00 0.00 H new ATOM 384 N PHE A 25 0.585 0.762 6.915 1.00 0.00 N ATOM 385 CA PHE A 25 0.302 -0.599 7.322 1.00 0.00 C ATOM 386 C PHE A 25 0.077 -0.603 8.815 1.00 0.00 C ATOM 387 O PHE A 25 -0.781 -1.323 9.323 1.00 0.00 O ATOM 388 CB PHE A 25 1.459 -1.581 6.974 1.00 0.00 C ATOM 389 CG PHE A 25 1.076 -3.017 7.264 1.00 0.00 C ATOM 390 CD1 PHE A 25 -0.042 -3.590 6.635 1.00 0.00 C ATOM 391 CD2 PHE A 25 1.786 -3.781 8.208 1.00 0.00 C ATOM 392 CE1 PHE A 25 -0.444 -4.895 6.938 1.00 0.00 C ATOM 393 CE2 PHE A 25 1.381 -5.086 8.520 1.00 0.00 C ATOM 394 CZ PHE A 25 0.266 -5.645 7.883 1.00 0.00 C ATOM 0 H PHE A 25 1.577 0.953 6.771 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.580 -0.941 6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.720 -1.479 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.347 -1.317 7.549 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.598 -3.016 5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.651 -3.358 8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.302 -5.324 6.443 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.929 -5.661 9.252 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.045 -6.652 8.120 1.00 0.00 H new ATOM 404 N GLN A 26 0.854 0.243 9.532 1.00 0.00 N ATOM 405 CA GLN A 26 0.830 0.405 10.964 1.00 0.00 C ATOM 406 C GLN A 26 -0.495 0.961 11.413 1.00 0.00 C ATOM 407 O GLN A 26 -1.081 0.477 12.380 1.00 0.00 O ATOM 408 CB GLN A 26 1.952 1.373 11.406 1.00 0.00 C ATOM 409 CG GLN A 26 2.100 1.540 12.929 1.00 0.00 C ATOM 410 CD GLN A 26 3.279 2.474 13.231 1.00 0.00 C ATOM 411 OE1 GLN A 26 4.300 2.038 13.777 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.120 3.782 12.865 1.00 0.00 N ATOM 0 H GLN A 26 1.540 0.850 9.084 1.00 0.00 H new ATOM 0 HA GLN A 26 0.983 -0.574 11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.899 1.018 11.000 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.763 2.351 10.964 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.182 1.948 13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.262 0.569 13.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.255 4.085 12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.867 4.455 13.040 1.00 0.00 H new ATOM 421 N THR A 27 -0.999 1.988 10.687 1.00 0.00 N ATOM 422 CA THR A 27 -2.242 2.660 10.985 1.00 0.00 C ATOM 423 C THR A 27 -3.376 1.782 10.540 1.00 0.00 C ATOM 424 O THR A 27 -4.104 1.223 11.360 1.00 0.00 O ATOM 425 CB THR A 27 -2.332 4.038 10.341 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.219 4.830 10.740 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.634 4.764 10.746 1.00 0.00 C ATOM 0 H THR A 27 -0.526 2.364 9.865 1.00 0.00 H new ATOM 0 HA THR A 27 -2.296 2.829 12.060 1.00 0.00 H new ATOM 0 HB THR A 27 -2.330 3.901 9.260 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.427 4.563 10.228 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.667 5.744 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.494 4.175 10.425 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.661 4.886 11.829 1.00 0.00 H new ATOM 435 N ASN A 28 -3.527 1.648 9.212 1.00 0.00 N ATOM 436 CA ASN A 28 -4.585 0.919 8.576 1.00 0.00 C ATOM 437 C ASN A 28 -4.096 -0.467 8.290 1.00 0.00 C ATOM 438 O ASN A 28 -3.424 -0.730 7.293 1.00 0.00 O ATOM 439 CB ASN A 28 -5.003 1.568 7.243 1.00 0.00 C ATOM 440 CG ASN A 28 -5.709 2.902 7.514 1.00 0.00 C ATOM 441 OD1 ASN A 28 -5.057 3.937 7.699 1.00 0.00 O ATOM 442 ND2 ASN A 28 -7.076 2.861 7.540 1.00 0.00 N ATOM 0 H ASN A 28 -2.880 2.069 8.545 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.448 0.914 9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.126 1.731 6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.667 0.899 6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.608 3.712 7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.563 1.979 7.381 1.00 0.00 H new ATOM 449 N ARG A 29 -4.473 -1.398 9.187 1.00 0.00 N ATOM 450 CA ARG A 29 -4.250 -2.809 9.054 1.00 0.00 C ATOM 451 C ARG A 29 -5.353 -3.345 8.196 1.00 0.00 C ATOM 452 O ARG A 29 -5.128 -4.192 7.334 1.00 0.00 O ATOM 453 CB ARG A 29 -4.341 -3.486 10.434 1.00 0.00 C ATOM 454 CG ARG A 29 -3.905 -4.960 10.497 1.00 0.00 C ATOM 455 CD ARG A 29 -2.498 -5.266 9.956 1.00 0.00 C ATOM 456 NE ARG A 29 -1.492 -4.282 10.489 1.00 0.00 N ATOM 457 CZ ARG A 29 -0.859 -4.411 11.694 1.00 0.00 C ATOM 458 NH1 ARG A 29 -1.118 -5.463 12.523 1.00 0.00 N ATOM 459 NH2 ARG A 29 0.045 -3.461 12.074 1.00 0.00 N ATOM 0 H ARG A 29 -4.959 -1.155 10.050 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.267 -3.001 8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.730 -2.918 11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.372 -3.418 10.782 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.954 -5.290 11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.626 -5.557 9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.208 -6.278 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.507 -5.229 8.867 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.268 -3.468 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.796 -6.174 12.248 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.634 -5.539 13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.240 -2.669 11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.525 -3.543 12.970 1.00 0.00 H new ATOM 473 N TYR A 30 -6.576 -2.796 8.416 1.00 0.00 N ATOM 474 CA TYR A 30 -7.774 -3.030 7.659 1.00 0.00 C ATOM 475 C TYR A 30 -7.742 -2.076 6.493 1.00 0.00 C ATOM 476 O TYR A 30 -8.550 -1.155 6.379 1.00 0.00 O ATOM 477 CB TYR A 30 -9.040 -2.751 8.506 1.00 0.00 C ATOM 478 CG TYR A 30 -9.191 -3.793 9.586 1.00 0.00 C ATOM 479 CD1 TYR A 30 -8.509 -3.682 10.810 1.00 0.00 C ATOM 480 CD2 TYR A 30 -10.029 -4.901 9.379 1.00 0.00 C ATOM 481 CE1 TYR A 30 -8.644 -4.666 11.797 1.00 0.00 C ATOM 482 CE2 TYR A 30 -10.175 -5.885 10.364 1.00 0.00 C ATOM 483 CZ TYR A 30 -9.476 -5.771 11.575 1.00 0.00 C ATOM 484 OH TYR A 30 -9.610 -6.768 12.566 1.00 0.00 O ATOM 0 H TYR A 30 -6.732 -2.141 9.182 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.814 -4.071 7.339 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.974 -1.760 8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.922 -2.752 7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.873 -2.828 10.991 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.568 -4.995 8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.107 -4.573 12.729 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.825 -6.730 10.192 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.389 -7.328 12.364 1.00 0.00 H new ATOM 494 N LEU A 31 -6.761 -2.315 5.599 1.00 0.00 N ATOM 495 CA LEU A 31 -6.502 -1.585 4.386 1.00 0.00 C ATOM 496 C LEU A 31 -7.512 -2.090 3.379 1.00 0.00 C ATOM 497 O LEU A 31 -7.575 -3.289 3.108 1.00 0.00 O ATOM 498 CB LEU A 31 -5.053 -1.879 3.909 1.00 0.00 C ATOM 499 CG LEU A 31 -4.373 -0.871 2.943 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.247 -0.370 1.790 1.00 0.00 C ATOM 501 CD2 LEU A 31 -3.711 0.324 3.647 1.00 0.00 C ATOM 0 H LEU A 31 -6.097 -3.077 5.734 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.591 -0.507 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.424 -1.966 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.055 -2.854 3.423 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.591 -1.488 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.676 0.328 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.563 -1.215 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.125 0.135 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.259 0.980 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.463 0.877 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.940 -0.036 4.328 1.00 0.00 H new ATOM 513 N THR A 32 -8.354 -1.176 2.836 1.00 0.00 N ATOM 514 CA THR A 32 -9.474 -1.510 1.989 1.00 0.00 C ATOM 515 C THR A 32 -9.014 -1.423 0.569 1.00 0.00 C ATOM 516 O THR A 32 -7.955 -0.878 0.296 1.00 0.00 O ATOM 517 CB THR A 32 -10.696 -0.618 2.217 1.00 0.00 C ATOM 518 OG1 THR A 32 -10.502 0.732 1.809 1.00 0.00 O ATOM 519 CG2 THR A 32 -10.987 -0.609 3.724 1.00 0.00 C ATOM 0 H THR A 32 -8.252 -0.173 2.991 1.00 0.00 H new ATOM 0 HA THR A 32 -9.804 -2.519 2.236 1.00 0.00 H new ATOM 0 HB THR A 32 -11.512 -1.024 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.319 1.246 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.855 0.019 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.190 -1.625 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.123 -0.215 4.259 1.00 0.00 H new ATOM 527 N GLU A 33 -9.823 -1.944 -0.376 1.00 0.00 N ATOM 528 CA GLU A 33 -9.548 -1.869 -1.793 1.00 0.00 C ATOM 529 C GLU A 33 -9.811 -0.481 -2.334 1.00 0.00 C ATOM 530 O GLU A 33 -9.345 -0.144 -3.420 1.00 0.00 O ATOM 531 CB GLU A 33 -10.396 -2.873 -2.605 1.00 0.00 C ATOM 532 CG GLU A 33 -10.121 -4.333 -2.203 1.00 0.00 C ATOM 533 CD GLU A 33 -10.956 -5.274 -3.070 1.00 0.00 C ATOM 534 OE1 GLU A 33 -10.737 -5.291 -4.310 1.00 0.00 O ATOM 535 OE2 GLU A 33 -11.823 -5.993 -2.502 1.00 0.00 O ATOM 0 H GLU A 33 -10.692 -2.431 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.493 -2.118 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.453 -2.652 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.187 -2.746 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.061 -4.559 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.363 -4.482 -1.151 1.00 0.00 H new ATOM 542 N GLN A 34 -10.567 0.348 -1.572 1.00 0.00 N ATOM 543 CA GLN A 34 -11.009 1.666 -1.965 1.00 0.00 C ATOM 544 C GLN A 34 -9.938 2.665 -1.608 1.00 0.00 C ATOM 545 O GLN A 34 -9.689 3.630 -2.325 1.00 0.00 O ATOM 546 CB GLN A 34 -12.341 2.022 -1.256 1.00 0.00 C ATOM 547 CG GLN A 34 -13.175 3.146 -1.908 1.00 0.00 C ATOM 548 CD GLN A 34 -12.576 4.534 -1.650 1.00 0.00 C ATOM 549 OE1 GLN A 34 -12.323 4.908 -0.498 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.354 5.311 -2.754 1.00 0.00 N ATOM 0 H GLN A 34 -10.885 0.088 -0.638 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.184 1.688 -3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.955 1.123 -1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.117 2.312 -0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.238 2.973 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.193 3.113 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.580 4.954 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.962 6.247 -2.649 1.00 0.00 H new ATOM 559 N ARG A 35 -9.258 2.418 -0.473 1.00 0.00 N ATOM 560 CA ARG A 35 -8.167 3.211 0.022 1.00 0.00 C ATOM 561 C ARG A 35 -6.920 2.847 -0.703 1.00 0.00 C ATOM 562 O ARG A 35 -6.102 3.711 -0.991 1.00 0.00 O ATOM 563 CB ARG A 35 -7.892 2.858 1.481 1.00 0.00 C ATOM 564 CG ARG A 35 -6.767 3.635 2.157 1.00 0.00 C ATOM 565 CD ARG A 35 -6.641 3.209 3.620 1.00 0.00 C ATOM 566 NE ARG A 35 -6.120 4.381 4.362 1.00 0.00 N ATOM 567 CZ ARG A 35 -4.788 4.660 4.507 1.00 0.00 C ATOM 568 NH1 ARG A 35 -3.836 3.772 4.099 1.00 0.00 N ATOM 569 NH2 ARG A 35 -4.405 5.844 5.068 1.00 0.00 N ATOM 0 H ARG A 35 -9.478 1.626 0.132 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.432 4.261 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.808 3.014 2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.658 1.795 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.827 3.456 1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.966 4.705 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.607 2.898 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.967 2.358 3.718 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.793 5.017 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.113 2.885 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.847 3.995 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.110 6.514 5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.414 6.059 5.179 1.00 0.00 H new ATOM 583 N ARG A 36 -6.751 1.535 -0.992 1.00 0.00 N ATOM 584 CA ARG A 36 -5.611 0.987 -1.700 1.00 0.00 C ATOM 585 C ARG A 36 -5.494 1.544 -3.091 1.00 0.00 C ATOM 586 O ARG A 36 -4.391 1.750 -3.593 1.00 0.00 O ATOM 587 CB ARG A 36 -5.692 -0.544 -1.847 1.00 0.00 C ATOM 588 CG ARG A 36 -4.397 -1.198 -2.356 1.00 0.00 C ATOM 589 CD ARG A 36 -4.403 -2.725 -2.210 1.00 0.00 C ATOM 590 NE ARG A 36 -4.501 -3.044 -0.747 1.00 0.00 N ATOM 591 CZ ARG A 36 -4.795 -4.286 -0.262 1.00 0.00 C ATOM 592 NH1 ARG A 36 -4.983 -5.345 -1.098 1.00 0.00 N ATOM 593 NH2 ARG A 36 -4.907 -4.459 1.088 1.00 0.00 N ATOM 0 H ARG A 36 -7.432 0.825 -0.724 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.747 1.265 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.949 -0.977 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.503 -0.789 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.253 -0.939 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.549 -0.789 -1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.243 -3.158 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.495 -3.153 -2.635 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.339 -2.291 -0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.905 -5.218 -2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.202 -6.265 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.772 -3.667 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.126 -5.380 1.468 1.00 0.00 H new ATOM 607 N GLN A 37 -6.654 1.819 -3.735 1.00 0.00 N ATOM 608 CA GLN A 37 -6.690 2.384 -5.065 1.00 0.00 C ATOM 609 C GLN A 37 -6.636 3.887 -4.990 1.00 0.00 C ATOM 610 O GLN A 37 -6.540 4.554 -6.018 1.00 0.00 O ATOM 611 CB GLN A 37 -7.918 1.954 -5.901 1.00 0.00 C ATOM 612 CG GLN A 37 -9.246 2.542 -5.406 1.00 0.00 C ATOM 613 CD GLN A 37 -10.436 1.897 -6.124 1.00 0.00 C ATOM 614 OE1 GLN A 37 -10.274 1.062 -7.022 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.671 2.311 -5.701 1.00 0.00 N ATOM 0 H GLN A 37 -7.575 1.649 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.813 1.990 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.763 2.255 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.988 0.866 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.338 2.387 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.256 3.619 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.749 3.003 -4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.513 1.927 -6.131 1.00 0.00 H new ATOM 624 N SER A 38 -6.668 4.460 -3.759 1.00 0.00 N ATOM 625 CA SER A 38 -6.422 5.873 -3.566 1.00 0.00 C ATOM 626 C SER A 38 -4.947 6.064 -3.324 1.00 0.00 C ATOM 627 O SER A 38 -4.413 7.143 -3.559 1.00 0.00 O ATOM 628 CB SER A 38 -7.215 6.443 -2.376 1.00 0.00 C ATOM 629 OG SER A 38 -7.206 7.865 -2.350 1.00 0.00 O ATOM 0 H SER A 38 -6.864 3.947 -2.899 1.00 0.00 H new ATOM 0 HA SER A 38 -6.749 6.407 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.245 6.090 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.793 6.063 -1.446 1.00 0.00 H new ATOM 0 HG SER A 38 -7.722 8.181 -1.579 1.00 0.00 H new ATOM 635 N LEU A 39 -4.238 4.993 -2.884 1.00 0.00 N ATOM 636 CA LEU A 39 -2.796 4.990 -2.778 1.00 0.00 C ATOM 637 C LEU A 39 -2.261 4.793 -4.172 1.00 0.00 C ATOM 638 O LEU A 39 -1.156 5.222 -4.489 1.00 0.00 O ATOM 639 CB LEU A 39 -2.202 3.865 -1.890 1.00 0.00 C ATOM 640 CG LEU A 39 -2.852 3.652 -0.502 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.021 2.664 0.341 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.147 4.943 0.283 1.00 0.00 C ATOM 0 H LEU A 39 -4.672 4.116 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.510 5.931 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.266 2.927 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.143 4.075 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.833 3.223 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.494 2.528 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.965 1.705 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.015 3.061 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.601 4.690 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.217 5.485 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.832 5.568 -0.290 1.00 0.00 H new ATOM 654 N ALA A 40 -3.073 4.150 -5.047 1.00 0.00 N ATOM 655 CA ALA A 40 -2.760 3.970 -6.441 1.00 0.00 C ATOM 656 C ALA A 40 -2.923 5.257 -7.195 1.00 0.00 C ATOM 657 O ALA A 40 -2.277 5.466 -8.216 1.00 0.00 O ATOM 658 CB ALA A 40 -3.683 2.952 -7.118 1.00 0.00 C ATOM 0 H ALA A 40 -3.970 3.746 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.729 3.617 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.407 2.852 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.584 1.986 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.716 3.293 -7.046 1.00 0.00 H new ATOM 664 N GLN A 41 -3.803 6.164 -6.707 1.00 0.00 N ATOM 665 CA GLN A 41 -4.037 7.427 -7.352 1.00 0.00 C ATOM 666 C GLN A 41 -2.872 8.350 -7.102 1.00 0.00 C ATOM 667 O GLN A 41 -2.471 9.111 -7.983 1.00 0.00 O ATOM 668 CB GLN A 41 -5.331 8.072 -6.797 1.00 0.00 C ATOM 669 CG GLN A 41 -5.766 9.387 -7.464 1.00 0.00 C ATOM 670 CD GLN A 41 -6.067 9.154 -8.950 1.00 0.00 C ATOM 671 OE1 GLN A 41 -6.976 8.389 -9.294 1.00 0.00 O ATOM 672 NE2 GLN A 41 -5.282 9.835 -9.840 1.00 0.00 N ATOM 0 H GLN A 41 -4.354 6.019 -5.861 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.147 7.262 -8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.143 7.352 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.194 8.256 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.651 9.781 -6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.980 10.134 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.545 10.454 -9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.433 9.724 -10.843 1.00 0.00 H new ATOM 681 N GLU A 42 -2.315 8.297 -5.871 1.00 0.00 N ATOM 682 CA GLU A 42 -1.432 9.325 -5.363 1.00 0.00 C ATOM 683 C GLU A 42 0.011 9.042 -5.610 1.00 0.00 C ATOM 684 O GLU A 42 0.744 9.920 -6.063 1.00 0.00 O ATOM 685 CB GLU A 42 -1.636 9.583 -3.856 1.00 0.00 C ATOM 686 CG GLU A 42 -3.048 10.110 -3.554 1.00 0.00 C ATOM 687 CD GLU A 42 -3.224 11.521 -4.111 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.507 12.441 -3.636 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.083 11.698 -5.018 1.00 0.00 O ATOM 0 H GLU A 42 -2.477 7.532 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.707 10.218 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.467 8.659 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.896 10.304 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.792 9.445 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.218 10.114 -2.477 1.00 0.00 H new ATOM 696 N LEU A 43 0.451 7.795 -5.339 1.00 0.00 N ATOM 697 CA LEU A 43 1.791 7.336 -5.633 1.00 0.00 C ATOM 698 C LEU A 43 1.916 7.200 -7.123 1.00 0.00 C ATOM 699 O LEU A 43 2.989 7.387 -7.697 1.00 0.00 O ATOM 700 CB LEU A 43 2.078 5.955 -5.005 1.00 0.00 C ATOM 701 CG LEU A 43 1.854 5.917 -3.477 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.898 4.475 -2.948 1.00 0.00 C ATOM 703 CD2 LEU A 43 2.835 6.811 -2.699 1.00 0.00 C ATOM 0 H LEU A 43 -0.136 7.083 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 43 2.499 8.055 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.438 5.209 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.109 5.673 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 43 0.858 6.326 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.737 4.478 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.117 3.887 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.871 4.036 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.625 6.739 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.857 6.483 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.720 7.845 -3.023 1.00 0.00 H new ATOM 715 N GLY A 44 0.767 6.900 -7.766 1.00 0.00 N ATOM 716 CA GLY A 44 0.644 6.845 -9.203 1.00 0.00 C ATOM 717 C GLY A 44 0.935 5.451 -9.649 1.00 0.00 C ATOM 718 O GLY A 44 1.553 5.235 -10.691 1.00 0.00 O ATOM 0 H GLY A 44 -0.103 6.689 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.360 7.139 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.337 7.545 -9.670 1.00 0.00 H new ATOM 722 N LEU A 45 0.479 4.474 -8.837 1.00 0.00 N ATOM 723 CA LEU A 45 0.672 3.062 -9.089 1.00 0.00 C ATOM 724 C LEU A 45 -0.637 2.511 -9.584 1.00 0.00 C ATOM 725 O LEU A 45 -1.523 3.257 -9.999 1.00 0.00 O ATOM 726 CB LEU A 45 1.124 2.298 -7.821 1.00 0.00 C ATOM 727 CG LEU A 45 2.519 2.728 -7.311 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.700 2.307 -5.847 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.652 2.155 -8.180 1.00 0.00 C ATOM 0 H LEU A 45 -0.039 4.665 -7.979 1.00 0.00 H new ATOM 0 HA LEU A 45 1.463 2.933 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.391 2.456 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.137 1.229 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 45 2.575 3.814 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.686 2.615 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.934 2.782 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.609 1.224 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.614 2.482 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.606 1.066 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.540 2.510 -9.204 1.00 0.00 H new ATOM 741 N ASN A 46 -0.773 1.165 -9.557 1.00 0.00 N ATOM 742 CA ASN A 46 -2.007 0.470 -9.823 1.00 0.00 C ATOM 743 C ASN A 46 -2.446 -0.057 -8.490 1.00 0.00 C ATOM 744 O ASN A 46 -1.797 0.179 -7.471 1.00 0.00 O ATOM 745 CB ASN A 46 -1.855 -0.724 -10.800 1.00 0.00 C ATOM 746 CG ASN A 46 -1.273 -0.224 -12.129 1.00 0.00 C ATOM 747 OD1 ASN A 46 -1.911 0.567 -12.835 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.033 -0.697 -12.464 1.00 0.00 N ATOM 0 H ASN A 46 0.003 0.538 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.713 1.152 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.202 -1.482 -10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.823 -1.196 -10.969 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.409 -0.398 -13.333 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.449 -1.348 -11.844 1.00 0.00 H new ATOM 755 N GLU A 47 -3.577 -0.797 -8.469 1.00 0.00 N ATOM 756 CA GLU A 47 -4.085 -1.464 -7.292 1.00 0.00 C ATOM 757 C GLU A 47 -3.226 -2.651 -6.991 1.00 0.00 C ATOM 758 O GLU A 47 -2.934 -2.952 -5.838 1.00 0.00 O ATOM 759 CB GLU A 47 -5.520 -1.997 -7.497 1.00 0.00 C ATOM 760 CG GLU A 47 -6.443 -0.924 -8.085 1.00 0.00 C ATOM 761 CD GLU A 47 -7.904 -1.353 -7.961 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.365 -1.575 -6.811 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.581 -1.463 -9.020 1.00 0.00 O ATOM 0 H GLU A 47 -4.159 -0.938 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.081 -0.731 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.496 -2.861 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.921 -2.339 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.290 0.022 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.194 -0.756 -9.133 1.00 0.00 H new ATOM 770 N SER A 48 -2.831 -3.332 -8.088 1.00 0.00 N ATOM 771 CA SER A 48 -2.190 -4.625 -8.131 1.00 0.00 C ATOM 772 C SER A 48 -0.777 -4.594 -7.601 1.00 0.00 C ATOM 773 O SER A 48 -0.292 -5.601 -7.088 1.00 0.00 O ATOM 774 CB SER A 48 -2.179 -5.177 -9.581 1.00 0.00 C ATOM 775 OG SER A 48 -1.826 -6.556 -9.632 1.00 0.00 O ATOM 0 H SER A 48 -2.970 -2.949 -9.023 1.00 0.00 H new ATOM 0 HA SER A 48 -2.774 -5.280 -7.484 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.164 -5.040 -10.027 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.474 -4.601 -10.181 1.00 0.00 H new ATOM 0 HG SER A 48 -1.833 -6.861 -10.563 1.00 0.00 H new ATOM 781 N GLN A 49 -0.080 -3.436 -7.697 1.00 0.00 N ATOM 782 CA GLN A 49 1.277 -3.270 -7.239 1.00 0.00 C ATOM 783 C GLN A 49 1.319 -3.301 -5.737 1.00 0.00 C ATOM 784 O GLN A 49 2.154 -3.973 -5.135 1.00 0.00 O ATOM 785 CB GLN A 49 1.852 -1.902 -7.677 1.00 0.00 C ATOM 786 CG GLN A 49 1.840 -1.661 -9.200 1.00 0.00 C ATOM 787 CD GLN A 49 2.663 -2.728 -9.930 1.00 0.00 C ATOM 788 OE1 GLN A 49 2.110 -3.549 -10.671 1.00 0.00 O ATOM 789 NE2 GLN A 49 4.014 -2.699 -9.711 1.00 0.00 N ATOM 0 H GLN A 49 -0.473 -2.589 -8.106 1.00 0.00 H new ATOM 0 HA GLN A 49 1.864 -4.081 -7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.281 -1.110 -7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.878 -1.821 -7.317 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.813 -1.675 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.243 -0.672 -9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.415 -1.998 -9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.620 -3.379 -10.171 1.00 0.00 H new ATOM 798 N ILE A 50 0.382 -2.551 -5.116 1.00 0.00 N ATOM 799 CA ILE A 50 0.309 -2.302 -3.701 1.00 0.00 C ATOM 800 C ILE A 50 -0.385 -3.466 -3.027 1.00 0.00 C ATOM 801 O ILE A 50 -0.222 -3.683 -1.831 1.00 0.00 O ATOM 802 CB ILE A 50 -0.408 -0.985 -3.402 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.076 0.081 -4.477 1.00 0.00 C ATOM 804 CG2 ILE A 50 0.012 -0.492 -2.002 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.744 1.433 -4.230 1.00 0.00 C ATOM 0 H ILE A 50 -0.368 -2.092 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 50 1.320 -2.209 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.485 -1.150 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.004 0.221 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.383 -0.293 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.495 0.447 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.263 -1.238 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.091 -0.337 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.465 2.127 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.827 1.308 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.417 1.830 -3.269 1.00 0.00 H new ATOM 817 N LYS A 51 -1.146 -4.276 -3.806 1.00 0.00 N ATOM 818 CA LYS A 51 -1.853 -5.460 -3.364 1.00 0.00 C ATOM 819 C LYS A 51 -0.882 -6.497 -2.901 1.00 0.00 C ATOM 820 O LYS A 51 -1.017 -7.055 -1.816 1.00 0.00 O ATOM 821 CB LYS A 51 -2.649 -6.086 -4.531 1.00 0.00 C ATOM 822 CG LYS A 51 -3.599 -7.228 -4.138 1.00 0.00 C ATOM 823 CD LYS A 51 -4.440 -7.752 -5.314 1.00 0.00 C ATOM 824 CE LYS A 51 -3.611 -8.431 -6.415 1.00 0.00 C ATOM 825 NZ LYS A 51 -4.487 -8.946 -7.493 1.00 0.00 N ATOM 0 H LYS A 51 -1.276 -4.095 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.522 -5.158 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.231 -5.301 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.942 -6.461 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.016 -8.050 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.267 -6.881 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.175 -8.462 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.995 -6.921 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.897 -7.719 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.033 -9.250 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.905 -9.400 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.152 -9.641 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.020 -8.158 -7.913 1.00 0.00 H new ATOM 839 N ILE A 52 0.140 -6.727 -3.751 1.00 0.00 N ATOM 840 CA ILE A 52 1.257 -7.613 -3.583 1.00 0.00 C ATOM 841 C ILE A 52 2.069 -7.212 -2.385 1.00 0.00 C ATOM 842 O ILE A 52 2.469 -8.060 -1.590 1.00 0.00 O ATOM 843 CB ILE A 52 2.070 -7.584 -4.872 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.298 -8.362 -5.968 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.499 -8.110 -4.654 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.921 -8.266 -7.364 1.00 0.00 C ATOM 0 H ILE A 52 0.186 -6.241 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 52 0.923 -8.634 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 52 2.192 -6.554 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.240 -9.412 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.276 -7.987 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.048 -8.074 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.006 -7.490 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.457 -9.139 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.320 -8.838 -8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.954 -7.222 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.933 -8.670 -7.339 1.00 0.00 H new ATOM 858 N TRP A 53 2.306 -5.892 -2.234 1.00 0.00 N ATOM 859 CA TRP A 53 3.056 -5.309 -1.143 1.00 0.00 C ATOM 860 C TRP A 53 2.393 -5.553 0.188 1.00 0.00 C ATOM 861 O TRP A 53 3.073 -5.913 1.142 1.00 0.00 O ATOM 862 CB TRP A 53 3.287 -3.788 -1.345 1.00 0.00 C ATOM 863 CG TRP A 53 4.338 -3.184 -0.429 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.688 -3.097 -0.626 1.00 0.00 C ATOM 865 CD2 TRP A 53 4.087 -2.676 0.895 1.00 0.00 C ATOM 866 NE1 TRP A 53 6.299 -2.572 0.489 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.339 -2.315 1.440 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.916 -2.532 1.632 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.436 -1.812 2.731 1.00 0.00 C ATOM 870 CZ3 TRP A 53 3.023 -2.048 2.944 1.00 0.00 C ATOM 871 CH2 TRP A 53 4.266 -1.695 3.486 1.00 0.00 C ATOM 0 H TRP A 53 1.963 -5.197 -2.897 1.00 0.00 H new ATOM 0 HA TRP A 53 4.026 -5.807 -1.142 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.581 -3.612 -2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.343 -3.266 -1.188 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.201 -3.397 -1.528 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.299 -2.401 0.593 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.956 -2.785 1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.391 -1.519 3.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.133 -1.946 3.547 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.320 -1.328 4.500 1.00 0.00 H new ATOM 882 N PHE A 54 1.054 -5.390 0.280 1.00 0.00 N ATOM 883 CA PHE A 54 0.315 -5.587 1.502 1.00 0.00 C ATOM 884 C PHE A 54 0.165 -7.054 1.799 1.00 0.00 C ATOM 885 O PHE A 54 0.050 -7.415 2.964 1.00 0.00 O ATOM 886 CB PHE A 54 -1.093 -4.940 1.453 1.00 0.00 C ATOM 887 CG PHE A 54 -1.015 -3.463 1.750 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.545 -3.014 2.997 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.435 -2.506 0.811 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.452 -1.645 3.280 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.329 -1.137 1.084 1.00 0.00 C ATOM 892 CZ PHE A 54 -0.815 -0.706 2.310 1.00 0.00 C ATOM 0 H PHE A 54 0.471 -5.116 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 54 0.888 -5.100 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.535 -5.095 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.747 -5.427 2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.252 -3.734 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.845 -2.831 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.100 -1.315 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.645 -0.414 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.699 0.349 2.508 1.00 0.00 H new ATOM 902 N GLN A 55 0.206 -7.939 0.771 1.00 0.00 N ATOM 903 CA GLN A 55 0.140 -9.375 0.934 1.00 0.00 C ATOM 904 C GLN A 55 1.397 -9.909 1.562 1.00 0.00 C ATOM 905 O GLN A 55 1.349 -10.926 2.249 1.00 0.00 O ATOM 906 CB GLN A 55 -0.084 -10.119 -0.407 1.00 0.00 C ATOM 907 CG GLN A 55 -1.561 -10.223 -0.832 1.00 0.00 C ATOM 908 CD GLN A 55 -2.327 -11.161 0.113 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.209 -10.726 0.863 1.00 0.00 O ATOM 910 NE2 GLN A 55 -1.974 -12.483 0.062 1.00 0.00 N ATOM 0 H GLN A 55 0.287 -7.648 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.716 -9.558 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.473 -9.607 -1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.331 -11.124 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.019 -9.234 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.626 -10.595 -1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.239 -12.790 -0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.446 -13.160 0.661 1.00 0.00 H new ATOM 919 N ASN A 56 2.542 -9.219 1.367 1.00 0.00 N ATOM 920 CA ASN A 56 3.803 -9.549 1.977 1.00 0.00 C ATOM 921 C ASN A 56 3.757 -9.214 3.442 1.00 0.00 C ATOM 922 O ASN A 56 4.149 -10.031 4.272 1.00 0.00 O ATOM 923 CB ASN A 56 4.975 -8.747 1.370 1.00 0.00 C ATOM 924 CG ASN A 56 5.211 -9.148 -0.092 1.00 0.00 C ATOM 925 OD1 ASN A 56 5.172 -10.332 -0.443 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.484 -8.119 -0.950 1.00 0.00 N ATOM 0 H ASN A 56 2.592 -8.400 0.761 1.00 0.00 H new ATOM 0 HA ASN A 56 3.965 -10.613 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.760 -7.680 1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.881 -8.922 1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.668 -8.311 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.503 -7.159 -0.605 1.00 0.00 H new ATOM 933 N LYS A 57 3.266 -7.994 3.779 1.00 0.00 N ATOM 934 CA LYS A 57 3.231 -7.484 5.139 1.00 0.00 C ATOM 935 C LYS A 57 2.231 -8.191 6.017 1.00 0.00 C ATOM 936 O LYS A 57 2.435 -8.316 7.223 1.00 0.00 O ATOM 937 CB LYS A 57 2.903 -5.977 5.223 1.00 0.00 C ATOM 938 CG LYS A 57 3.827 -5.064 4.405 1.00 0.00 C ATOM 939 CD LYS A 57 5.337 -5.310 4.560 1.00 0.00 C ATOM 940 CE LYS A 57 5.880 -4.970 5.954 1.00 0.00 C ATOM 941 NZ LYS A 57 7.350 -5.143 6.002 1.00 0.00 N ATOM 0 H LYS A 57 2.883 -7.343 3.093 1.00 0.00 H new ATOM 0 HA LYS A 57 4.245 -7.669 5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.877 -5.825 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.945 -5.669 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.569 -5.171 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.618 -4.030 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.549 -6.357 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.870 -4.716 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.622 -3.942 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.409 -5.611 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.660 -5.210 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.614 -6.013 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.810 -4.328 5.550 1.00 0.00 H new ATOM 955 N ARG A 58 1.123 -8.673 5.418 1.00 0.00 N ATOM 956 CA ARG A 58 0.069 -9.383 6.109 1.00 0.00 C ATOM 957 C ARG A 58 0.470 -10.814 6.327 1.00 0.00 C ATOM 958 O ARG A 58 0.000 -11.447 7.270 1.00 0.00 O ATOM 959 CB ARG A 58 -1.269 -9.371 5.335 1.00 0.00 C ATOM 960 CG ARG A 58 -1.990 -8.017 5.431 1.00 0.00 C ATOM 961 CD ARG A 58 -3.288 -7.930 4.615 1.00 0.00 C ATOM 962 NE ARG A 58 -2.958 -7.949 3.154 1.00 0.00 N ATOM 963 CZ ARG A 58 -3.886 -7.683 2.185 1.00 0.00 C ATOM 964 NH1 ARG A 58 -5.200 -7.496 2.500 1.00 0.00 N ATOM 965 NH2 ARG A 58 -3.486 -7.598 0.882 1.00 0.00 N ATOM 0 H ARG A 58 0.948 -8.568 4.419 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.079 -8.866 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.082 -9.606 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.919 -10.154 5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.219 -7.814 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.311 -7.233 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.943 -8.765 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.828 -7.017 4.866 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.003 -8.169 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.505 -7.554 3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.878 -7.298 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.504 -7.732 0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.169 -7.400 0.151 1.00 0.00 H new ATOM 979 N ALA A 59 1.363 -11.344 5.460 1.00 0.00 N ATOM 980 CA ALA A 59 1.831 -12.707 5.523 1.00 0.00 C ATOM 981 C ALA A 59 3.023 -12.836 6.436 1.00 0.00 C ATOM 982 O ALA A 59 3.451 -13.954 6.719 1.00 0.00 O ATOM 983 CB ALA A 59 2.212 -13.258 4.141 1.00 0.00 C ATOM 0 H ALA A 59 1.772 -10.811 4.693 1.00 0.00 H new ATOM 0 HA ALA A 59 0.998 -13.290 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.558 -14.287 4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.341 -13.231 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.008 -12.648 3.713 1.00 0.00 H new ATOM 989 N LYS A 60 3.556 -11.701 6.971 1.00 0.00 N ATOM 990 CA LYS A 60 4.504 -11.686 8.066 1.00 0.00 C ATOM 991 C LYS A 60 3.824 -12.269 9.273 1.00 0.00 C ATOM 992 O LYS A 60 4.267 -13.267 9.832 1.00 0.00 O ATOM 993 CB LYS A 60 4.953 -10.262 8.486 1.00 0.00 C ATOM 994 CG LYS A 60 5.635 -9.429 7.393 1.00 0.00 C ATOM 995 CD LYS A 60 7.030 -9.916 6.995 1.00 0.00 C ATOM 996 CE LYS A 60 7.765 -8.882 6.134 1.00 0.00 C ATOM 997 NZ LYS A 60 9.198 -9.216 5.996 1.00 0.00 N ATOM 0 H LYS A 60 3.320 -10.769 6.631 1.00 0.00 H new ATOM 0 HA LYS A 60 5.378 -12.242 7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.079 -9.716 8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.638 -10.351 9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.000 -9.426 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.709 -8.397 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.613 -10.124 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.946 -10.854 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.304 -8.834 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.662 -7.894 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.768 -8.527 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.370 -10.171 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.466 -9.185 4.992 1.00 0.00 H new ATOM 1011 N ILE A 61 2.680 -11.653 9.653 1.00 0.00 N ATOM 1012 CA ILE A 61 1.864 -12.005 10.778 1.00 0.00 C ATOM 1013 C ILE A 61 1.123 -13.257 10.380 1.00 0.00 C ATOM 1014 O ILE A 61 0.788 -13.454 9.213 1.00 0.00 O ATOM 1015 CB ILE A 61 0.886 -10.886 11.153 1.00 0.00 C ATOM 1016 CG1 ILE A 61 1.577 -9.495 11.100 1.00 0.00 C ATOM 1017 CG2 ILE A 61 0.280 -11.176 12.546 1.00 0.00 C ATOM 1018 CD1 ILE A 61 0.635 -8.321 11.384 1.00 0.00 C ATOM 0 H ILE A 61 2.304 -10.857 9.137 1.00 0.00 H new ATOM 0 HA ILE A 61 2.480 -12.165 11.663 1.00 0.00 H new ATOM 0 HB ILE A 61 0.076 -10.860 10.424 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.392 -9.477 11.824 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.023 -9.360 10.115 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.416 -10.380 12.813 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.250 -12.128 12.521 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.078 -11.224 13.287 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.192 -7.386 11.328 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.166 -8.310 10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.208 -8.430 12.381 1.00 0.00 H new ATOM 1030 N LYS A 62 0.887 -14.149 11.363 1.00 0.00 N ATOM 1031 CA LYS A 62 0.262 -15.435 11.162 1.00 0.00 C ATOM 1032 C LYS A 62 -1.206 -15.248 10.884 1.00 0.00 C ATOM 1033 O LYS A 62 -1.753 -15.873 9.977 1.00 0.00 O ATOM 1034 CB LYS A 62 0.446 -16.368 12.378 1.00 0.00 C ATOM 1035 CG LYS A 62 1.930 -16.601 12.717 1.00 0.00 C ATOM 1036 CD LYS A 62 2.171 -17.547 13.905 1.00 0.00 C ATOM 1037 CE LYS A 62 1.790 -19.006 13.622 1.00 0.00 C ATOM 1038 NZ LYS A 62 2.073 -19.861 14.797 1.00 0.00 N ATOM 0 H LYS A 62 1.139 -13.973 12.336 1.00 0.00 H new ATOM 0 HA LYS A 62 0.748 -15.907 10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.059 -15.938 13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.032 -17.326 12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.431 -17.007 11.838 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.395 -15.640 12.934 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.224 -17.504 14.184 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.599 -17.192 14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.732 -19.067 13.368 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.346 -19.371 12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.513 -20.749 14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.721 -19.363 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.185 -20.072 15.295 1.00 0.00 H new ATOM 1052 N LYS A 63 -1.860 -14.333 11.642 1.00 0.00 N ATOM 1053 CA LYS A 63 -3.217 -13.915 11.389 1.00 0.00 C ATOM 1054 C LYS A 63 -3.194 -12.792 10.383 1.00 0.00 C ATOM 1055 O LYS A 63 -2.159 -12.168 10.152 1.00 0.00 O ATOM 1056 CB LYS A 63 -3.950 -13.424 12.662 1.00 0.00 C ATOM 1057 CG LYS A 63 -3.248 -12.263 13.393 1.00 0.00 C ATOM 1058 CD LYS A 63 -4.046 -11.682 14.575 1.00 0.00 C ATOM 1059 CE LYS A 63 -5.366 -10.992 14.189 1.00 0.00 C ATOM 1060 NZ LYS A 63 -5.148 -9.876 13.238 1.00 0.00 N ATOM 0 H LYS A 63 -1.436 -13.874 12.448 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.760 -14.784 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.957 -13.109 12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.055 -14.261 13.352 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.282 -12.611 13.758 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.050 -11.465 12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.265 -12.487 15.277 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.417 -10.963 15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.041 -11.723 13.743 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.854 -10.614 15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.041 -9.363 13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.433 -9.226 13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.816 -10.255 12.328 1.00 0.00 H new ATOM 1074 N ALA A 64 -4.360 -12.517 9.760 1.00 0.00 N ATOM 1075 CA ALA A 64 -4.509 -11.404 8.863 1.00 0.00 C ATOM 1076 C ALA A 64 -5.986 -11.186 8.756 1.00 0.00 C ATOM 1077 O ALA A 64 -6.627 -11.658 7.818 1.00 0.00 O ATOM 1078 CB ALA A 64 -3.930 -11.651 7.452 1.00 0.00 C ATOM 0 H ALA A 64 -5.208 -13.072 9.879 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.958 -10.549 9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.082 -10.765 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.863 -11.861 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.436 -12.502 6.995 1.00 0.00 H new ATOM 1084 N THR A 65 -6.561 -10.460 9.743 1.00 0.00 N ATOM 1085 CA THR A 65 -7.979 -10.191 9.800 1.00 0.00 C ATOM 1086 C THR A 65 -8.196 -8.894 9.075 1.00 0.00 C ATOM 1087 O THR A 65 -7.680 -7.852 9.480 1.00 0.00 O ATOM 1088 CB THR A 65 -8.519 -10.093 11.218 1.00 0.00 C ATOM 1089 OG1 THR A 65 -8.209 -11.283 11.930 1.00 0.00 O ATOM 1090 CG2 THR A 65 -10.052 -9.907 11.196 1.00 0.00 C ATOM 0 H THR A 65 -6.035 -10.052 10.515 1.00 0.00 H new ATOM 0 HA THR A 65 -8.518 -11.020 9.341 1.00 0.00 H new ATOM 0 HB THR A 65 -8.059 -9.235 11.708 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.556 -11.217 12.844 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.425 -9.838 12.218 1.00 0.00 H new ATOM 0 HG22 THR A 65 -10.300 -8.993 10.657 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.515 -10.759 10.697 1.00 0.00 H new ATOM 1098 N GLN A 66 -8.953 -8.962 7.956 1.00 0.00 N ATOM 1099 CA GLN A 66 -9.235 -7.842 7.095 1.00 0.00 C ATOM 1100 C GLN A 66 -10.727 -7.669 7.090 1.00 0.00 C ATOM 1101 O GLN A 66 -11.454 -8.403 7.756 1.00 0.00 O ATOM 1102 CB GLN A 66 -8.738 -8.075 5.647 1.00 0.00 C ATOM 1103 CG GLN A 66 -7.220 -8.323 5.546 1.00 0.00 C ATOM 1104 CD GLN A 66 -6.457 -7.080 6.020 1.00 0.00 C ATOM 1105 OE1 GLN A 66 -6.572 -6.008 5.415 1.00 0.00 O ATOM 1106 NE2 GLN A 66 -5.659 -7.243 7.120 1.00 0.00 N ATOM 0 H GLN A 66 -9.385 -9.830 7.638 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.716 -6.958 7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.266 -8.930 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.997 -7.208 5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.942 -9.185 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.948 -8.557 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.603 -8.152 7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.120 -6.455 7.480 1.00 0.00 H new ATOM 1115 N ALA A 67 -11.209 -6.654 6.335 1.00 0.00 N ATOM 1116 CA ALA A 67 -12.609 -6.322 6.248 1.00 0.00 C ATOM 1117 C ALA A 67 -13.261 -7.222 5.189 1.00 0.00 C ATOM 1118 O ALA A 67 -12.836 -7.155 4.005 1.00 0.00 O ATOM 1119 CB ALA A 67 -12.838 -4.850 5.853 1.00 0.00 C ATOM 1120 OXT ALA A 67 -14.190 -7.990 5.558 1.00 0.00 O ATOM 0 H ALA A 67 -10.612 -6.049 5.771 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.051 -6.476 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -13.908 -4.650 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -12.383 -4.198 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.385 -4.660 4.880 1.00 0.00 H new TER 1126 ALA A 67