USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 44 SER OG : rot 180:sc= 0.0183 USER MOD Set 1.2: A 45 THR OG1 : rot -160:sc= -0.119 USER MOD Set 2.1: A 21 ASN : amide:sc= 1.09 K(o=3.2,f=1.1) USER MOD Set 2.2: A 22 GLN : amide:sc= 2.07 K(o=3.2,f=0.85) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -151:sc= 0.48 (180deg=0.362) USER MOD Set 3.2: A 13 TYR OH : rot -168:sc= 1.33 USER MOD Set 3.3: A 16 LYS NZ :NH3+ 147:sc= 0.0956 (180deg=-0.0105) USER MOD Single : A 1 LYS N :NH3+ -129:sc= 0.151 (180deg=-0.47) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.05) USER MOD Single : A 2 SER OG : rot -82:sc= 0.784 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -83:sc= 0.182 USER MOD Single : A 25 LYS NZ :NH3+ -107:sc= 1.26 (180deg=-1.28) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= -0.0217 (180deg=-0.116) USER MOD Single : A 33 GLN : amide:sc= -0.0254 K(o=-0.025,f=-2.7!) USER MOD Single : A 34 THR OG1 : rot 84:sc= 1.14 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= 1.14 (180deg=0.97) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0.788 (180deg=0.736) USER MOD Single : A 56 ASN : amide:sc= 0.193 X(o=0.19,f=-0.13) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0505) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc=-0.00743 (180deg=-0.0521) USER MOD Single : A 74 SER OG : rot 29:sc= 1.11 USER MOD Single : A 75 GLN : amide:sc= -0.462 K(o=-0.46,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -18.036 -1.103 1.030 1.00 0.00 N ATOM 2 CA LYS A 1 -16.971 -1.822 0.356 1.00 0.00 C ATOM 3 C LYS A 1 -16.998 -1.447 -1.130 1.00 0.00 C ATOM 4 O LYS A 1 -17.938 -0.778 -1.555 1.00 0.00 O ATOM 5 CB LYS A 1 -17.149 -3.332 0.572 1.00 0.00 C ATOM 6 CG LYS A 1 -17.031 -3.688 2.060 1.00 0.00 C ATOM 7 CD LYS A 1 -17.130 -5.207 2.254 1.00 0.00 C ATOM 8 CE LYS A 1 -16.891 -5.607 3.715 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.903 -5.030 4.619 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.651 -0.614 1.863 1.00 0.00 H new ATOM 0 H2 LYS A 1 -18.450 -0.405 0.379 1.00 0.00 H new ATOM 0 H3 LYS A 1 -18.771 -1.774 1.331 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.998 -1.549 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -18.122 -3.646 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.396 -3.877 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -16.081 -3.326 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.820 -3.190 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.115 -5.551 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.399 -5.704 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.906 -6.694 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.899 -5.277 4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.755 -5.393 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.815 -3.994 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.853 -5.296 4.291 1.00 0.00 H new ATOM 25 N SER A 2 -15.970 -1.866 -1.882 1.00 0.00 N ATOM 26 CA SER A 2 -15.695 -1.678 -3.317 1.00 0.00 C ATOM 27 C SER A 2 -14.274 -1.099 -3.448 1.00 0.00 C ATOM 28 O SER A 2 -13.701 -0.724 -2.428 1.00 0.00 O ATOM 29 CB SER A 2 -16.751 -0.815 -4.035 1.00 0.00 C ATOM 30 OG SER A 2 -16.734 0.509 -3.544 1.00 0.00 O ATOM 0 H SER A 2 -15.223 -2.409 -1.449 1.00 0.00 H new ATOM 0 HA SER A 2 -15.756 -2.642 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.557 -0.812 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.741 -1.248 -3.891 1.00 0.00 H new ATOM 0 HG SER A 2 -17.253 0.557 -2.714 1.00 0.00 H new ATOM 36 N PRO A 3 -13.670 -1.008 -4.649 1.00 0.00 N ATOM 37 CA PRO A 3 -12.322 -0.471 -4.813 1.00 0.00 C ATOM 38 C PRO A 3 -12.094 0.852 -4.074 1.00 0.00 C ATOM 39 O PRO A 3 -11.014 1.070 -3.535 1.00 0.00 O ATOM 40 CB PRO A 3 -12.098 -0.350 -6.321 1.00 0.00 C ATOM 41 CG PRO A 3 -12.961 -1.490 -6.862 1.00 0.00 C ATOM 42 CD PRO A 3 -14.183 -1.424 -5.947 1.00 0.00 C ATOM 0 HA PRO A 3 -11.592 -1.140 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.416 0.620 -6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.048 -0.470 -6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.226 -1.340 -7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.454 -2.452 -6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.919 -0.714 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.678 -2.393 -5.882 1.00 0.00 H new ATOM 50 N GLU A 4 -13.104 1.727 -4.019 1.00 0.00 N ATOM 51 CA GLU A 4 -13.026 3.001 -3.310 1.00 0.00 C ATOM 52 C GLU A 4 -12.526 2.771 -1.876 1.00 0.00 C ATOM 53 O GLU A 4 -11.704 3.530 -1.369 1.00 0.00 O ATOM 54 CB GLU A 4 -14.403 3.686 -3.346 1.00 0.00 C ATOM 55 CG GLU A 4 -14.357 5.185 -3.006 1.00 0.00 C ATOM 56 CD GLU A 4 -14.011 5.485 -1.548 1.00 0.00 C ATOM 57 OE1 GLU A 4 -14.582 4.798 -0.673 1.00 0.00 O ATOM 58 OE2 GLU A 4 -13.190 6.404 -1.336 1.00 0.00 O ATOM 0 H GLU A 4 -14.004 1.566 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.311 3.663 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.835 3.561 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.067 3.183 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.623 5.670 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.326 5.629 -3.237 1.00 0.00 H new ATOM 65 N GLU A 5 -12.999 1.701 -1.232 1.00 0.00 N ATOM 66 CA GLU A 5 -12.612 1.325 0.121 1.00 0.00 C ATOM 67 C GLU A 5 -11.092 1.241 0.293 1.00 0.00 C ATOM 68 O GLU A 5 -10.585 1.469 1.388 1.00 0.00 O ATOM 69 CB GLU A 5 -13.379 0.060 0.552 1.00 0.00 C ATOM 70 CG GLU A 5 -12.510 -1.200 0.682 1.00 0.00 C ATOM 71 CD GLU A 5 -13.366 -2.450 0.848 1.00 0.00 C ATOM 72 OE1 GLU A 5 -13.938 -2.887 -0.176 1.00 0.00 O ATOM 73 OE2 GLU A 5 -13.452 -2.937 1.996 1.00 0.00 O ATOM 0 H GLU A 5 -13.675 1.062 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.905 2.117 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.863 0.253 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.171 -0.133 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.881 -1.303 -0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.843 -1.097 1.538 1.00 0.00 H new ATOM 80 N LEU A 6 -10.352 0.939 -0.778 1.00 0.00 N ATOM 81 CA LEU A 6 -8.904 0.833 -0.727 1.00 0.00 C ATOM 82 C LEU A 6 -8.304 2.182 -0.334 1.00 0.00 C ATOM 83 O LEU A 6 -7.260 2.237 0.306 1.00 0.00 O ATOM 84 CB LEU A 6 -8.357 0.329 -2.064 1.00 0.00 C ATOM 85 CG LEU A 6 -8.848 -1.095 -2.397 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.465 -1.448 -3.834 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.257 -2.153 -1.453 1.00 0.00 C ATOM 0 H LEU A 6 -10.747 0.762 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.617 0.104 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.660 1.011 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.267 0.338 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.931 -1.099 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.813 -2.454 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.927 -0.737 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.381 -1.405 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.633 -3.138 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.170 -2.145 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.548 -1.928 -0.427 1.00 0.00 H new ATOM 99 N LYS A 7 -8.974 3.274 -0.698 1.00 0.00 N ATOM 100 CA LYS A 7 -8.579 4.622 -0.329 1.00 0.00 C ATOM 101 C LYS A 7 -8.712 4.780 1.186 1.00 0.00 C ATOM 102 O LYS A 7 -7.806 5.284 1.851 1.00 0.00 O ATOM 103 CB LYS A 7 -9.460 5.614 -1.097 1.00 0.00 C ATOM 104 CG LYS A 7 -8.890 7.037 -1.076 1.00 0.00 C ATOM 105 CD LYS A 7 -9.749 7.948 -1.958 1.00 0.00 C ATOM 106 CE LYS A 7 -9.163 9.364 -1.989 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.967 10.254 -2.844 1.00 0.00 N ATOM 0 H LYS A 7 -9.820 3.241 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.540 4.820 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.562 5.281 -2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.460 5.619 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.870 7.417 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.861 7.033 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.798 7.545 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.770 7.978 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.123 9.766 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.138 9.328 -2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.547 11.206 -2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.984 9.881 -3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.938 10.305 -2.476 1.00 0.00 H new ATOM 121 N GLY A 8 -9.843 4.324 1.730 1.00 0.00 N ATOM 122 CA GLY A 8 -10.114 4.383 3.154 1.00 0.00 C ATOM 123 C GLY A 8 -9.042 3.585 3.886 1.00 0.00 C ATOM 124 O GLY A 8 -8.403 4.087 4.801 1.00 0.00 O ATOM 0 H GLY A 8 -10.596 3.903 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.115 5.418 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.102 3.975 3.368 1.00 0.00 H new ATOM 128 N ILE A 9 -8.839 2.341 3.457 1.00 0.00 N ATOM 129 CA ILE A 9 -7.849 1.425 4.004 1.00 0.00 C ATOM 130 C ILE A 9 -6.459 2.072 3.959 1.00 0.00 C ATOM 131 O ILE A 9 -5.774 2.141 4.977 1.00 0.00 O ATOM 132 CB ILE A 9 -7.923 0.109 3.210 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.262 -0.620 3.437 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.733 -0.813 3.487 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.345 -1.391 4.759 1.00 0.00 C ATOM 0 H ILE A 9 -9.379 1.933 2.694 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.051 1.202 5.052 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.869 0.384 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.070 0.111 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.428 -1.315 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.836 -1.726 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.808 -0.307 3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.706 -1.063 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.319 -1.874 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.561 -2.148 4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.214 -0.700 5.592 1.00 0.00 H new ATOM 147 N PHE A 10 -6.044 2.553 2.783 1.00 0.00 N ATOM 148 CA PHE A 10 -4.763 3.223 2.587 1.00 0.00 C ATOM 149 C PHE A 10 -4.610 4.310 3.646 1.00 0.00 C ATOM 150 O PHE A 10 -3.613 4.332 4.356 1.00 0.00 O ATOM 151 CB PHE A 10 -4.681 3.835 1.179 1.00 0.00 C ATOM 152 CG PHE A 10 -3.529 4.801 0.964 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.637 6.107 1.479 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.277 4.361 0.488 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.485 6.771 1.915 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.144 5.170 0.682 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.231 6.314 1.495 1.00 0.00 C ATOM 0 H PHE A 10 -6.600 2.485 1.930 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.956 2.497 2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.598 3.027 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.616 4.356 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.600 6.592 1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.189 3.412 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.563 7.627 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.208 4.913 0.208 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.335 6.837 1.794 1.00 0.00 H new ATOM 167 N GLU A 11 -5.595 5.209 3.748 1.00 0.00 N ATOM 168 CA GLU A 11 -5.554 6.303 4.705 1.00 0.00 C ATOM 169 C GLU A 11 -5.429 5.751 6.125 1.00 0.00 C ATOM 170 O GLU A 11 -4.587 6.201 6.897 1.00 0.00 O ATOM 171 CB GLU A 11 -6.787 7.199 4.510 1.00 0.00 C ATOM 172 CG GLU A 11 -6.676 8.535 5.262 1.00 0.00 C ATOM 173 CD GLU A 11 -6.894 8.429 6.772 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.725 7.587 7.176 1.00 0.00 O ATOM 175 OE2 GLU A 11 -6.239 9.210 7.494 1.00 0.00 O ATOM 0 H GLU A 11 -6.435 5.193 3.170 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.675 6.925 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.923 7.396 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.675 6.667 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.689 8.961 5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.406 9.232 4.850 1.00 0.00 H new ATOM 182 N LYS A 12 -6.269 4.771 6.463 1.00 0.00 N ATOM 183 CA LYS A 12 -6.297 4.130 7.767 1.00 0.00 C ATOM 184 C LYS A 12 -4.890 3.665 8.139 1.00 0.00 C ATOM 185 O LYS A 12 -4.410 3.991 9.220 1.00 0.00 O ATOM 186 CB LYS A 12 -7.346 3.002 7.769 1.00 0.00 C ATOM 187 CG LYS A 12 -7.881 2.618 9.156 1.00 0.00 C ATOM 188 CD LYS A 12 -6.920 1.824 10.051 1.00 0.00 C ATOM 189 CE LYS A 12 -6.472 0.510 9.399 1.00 0.00 C ATOM 190 NZ LYS A 12 -5.811 -0.378 10.372 1.00 0.00 N ATOM 0 H LYS A 12 -6.964 4.396 5.817 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.604 4.835 8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.185 3.305 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.908 2.117 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.164 3.531 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.790 2.032 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.045 2.435 10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.407 1.608 11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.336 0.002 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.788 0.725 8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.118 -0.977 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.325 0.195 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.523 -0.980 10.833 1.00 0.00 H new ATOM 204 N TYR A 13 -4.204 2.923 7.260 1.00 0.00 N ATOM 205 CA TYR A 13 -2.852 2.487 7.572 1.00 0.00 C ATOM 206 C TYR A 13 -1.895 3.680 7.571 1.00 0.00 C ATOM 207 O TYR A 13 -1.141 3.842 8.527 1.00 0.00 O ATOM 208 CB TYR A 13 -2.411 1.342 6.661 1.00 0.00 C ATOM 209 CG TYR A 13 -2.983 0.006 7.091 1.00 0.00 C ATOM 210 CD1 TYR A 13 -2.345 -0.783 8.072 1.00 0.00 C ATOM 211 CD2 TYR A 13 -4.203 -0.421 6.545 1.00 0.00 C ATOM 212 CE1 TYR A 13 -3.028 -1.877 8.632 1.00 0.00 C ATOM 213 CE2 TYR A 13 -4.812 -1.591 7.010 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.259 -2.286 8.096 1.00 0.00 C ATOM 215 OH TYR A 13 -4.939 -3.314 8.676 1.00 0.00 O ATOM 0 H TYR A 13 -4.558 2.622 6.352 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.833 2.076 8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.722 1.555 5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.323 1.283 6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.340 -0.548 8.390 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.674 0.156 5.763 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.605 -2.403 9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.708 -1.960 6.533 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.667 -3.599 8.085 1.00 0.00 H new ATOM 225 N ALA A 14 -1.911 4.533 6.542 1.00 0.00 N ATOM 226 CA ALA A 14 -1.019 5.691 6.487 1.00 0.00 C ATOM 227 C ALA A 14 -1.084 6.525 7.777 1.00 0.00 C ATOM 228 O ALA A 14 -0.084 7.076 8.227 1.00 0.00 O ATOM 229 CB ALA A 14 -1.374 6.520 5.254 1.00 0.00 C ATOM 0 H ALA A 14 -2.532 4.442 5.738 1.00 0.00 H new ATOM 0 HA ALA A 14 0.013 5.349 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.717 7.388 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.249 5.912 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.410 6.852 5.325 1.00 0.00 H new ATOM 235 N ALA A 15 -2.269 6.613 8.386 1.00 0.00 N ATOM 236 CA ALA A 15 -2.489 7.350 9.618 1.00 0.00 C ATOM 237 C ALA A 15 -1.680 6.803 10.800 1.00 0.00 C ATOM 238 O ALA A 15 -1.384 7.567 11.714 1.00 0.00 O ATOM 239 CB ALA A 15 -3.983 7.376 9.950 1.00 0.00 C ATOM 0 H ALA A 15 -3.111 6.165 8.026 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.133 8.366 9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.141 7.930 10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.527 7.860 9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.346 6.356 10.072 1.00 0.00 H new ATOM 245 N LYS A 16 -1.317 5.513 10.817 1.00 0.00 N ATOM 246 CA LYS A 16 -0.554 4.955 11.925 1.00 0.00 C ATOM 247 C LYS A 16 0.842 5.576 11.941 1.00 0.00 C ATOM 248 O LYS A 16 1.266 6.120 12.958 1.00 0.00 O ATOM 249 CB LYS A 16 -0.461 3.426 11.809 1.00 0.00 C ATOM 250 CG LYS A 16 -1.107 2.672 12.977 1.00 0.00 C ATOM 251 CD LYS A 16 -2.639 2.630 12.914 1.00 0.00 C ATOM 252 CE LYS A 16 -3.176 2.028 11.610 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.508 0.765 11.241 1.00 0.00 N ATOM 0 H LYS A 16 -1.541 4.846 10.078 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.064 5.188 12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.937 3.113 10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.589 3.140 11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.725 1.651 12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.804 3.142 13.913 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.015 2.049 13.756 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.028 3.642 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.247 1.850 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.048 2.750 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.186 0.141 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.711 0.967 10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.155 0.295 12.099 1.00 0.00 H new ATOM 267 N GLU A 17 1.562 5.490 10.817 1.00 0.00 N ATOM 268 CA GLU A 17 2.896 6.046 10.697 1.00 0.00 C ATOM 269 C GLU A 17 3.226 6.335 9.240 1.00 0.00 C ATOM 270 O GLU A 17 2.915 5.571 8.326 1.00 0.00 O ATOM 271 CB GLU A 17 3.941 5.124 11.328 1.00 0.00 C ATOM 272 CG GLU A 17 5.380 5.667 11.311 1.00 0.00 C ATOM 273 CD GLU A 17 5.518 6.987 12.067 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.239 8.031 11.437 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.897 6.927 13.256 1.00 0.00 O ATOM 0 H GLU A 17 1.228 5.031 9.970 1.00 0.00 H new ATOM 0 HA GLU A 17 2.920 6.988 11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.655 4.928 12.361 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.923 4.168 10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.049 4.928 11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.699 5.809 10.278 1.00 0.00 H new ATOM 282 N GLY A 18 3.907 7.462 9.073 1.00 0.00 N ATOM 283 CA GLY A 18 4.334 8.016 7.803 1.00 0.00 C ATOM 284 C GLY A 18 3.393 9.094 7.269 1.00 0.00 C ATOM 285 O GLY A 18 3.483 9.413 6.093 1.00 0.00 O ATOM 0 H GLY A 18 4.189 8.041 9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.333 8.438 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.408 7.212 7.070 1.00 0.00 H new ATOM 289 N ASP A 19 2.522 9.658 8.118 1.00 0.00 N ATOM 290 CA ASP A 19 1.534 10.689 7.798 1.00 0.00 C ATOM 291 C ASP A 19 0.369 10.105 6.983 1.00 0.00 C ATOM 292 O ASP A 19 0.610 9.330 6.065 1.00 0.00 O ATOM 293 CB ASP A 19 2.187 11.897 7.106 1.00 0.00 C ATOM 294 CG ASP A 19 1.175 12.971 6.725 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.460 12.744 5.722 1.00 0.00 O ATOM 296 OD2 ASP A 19 1.117 13.986 7.450 1.00 0.00 O ATOM 0 H ASP A 19 2.489 9.389 9.101 1.00 0.00 H new ATOM 0 HA ASP A 19 1.114 11.056 8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.938 12.329 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.708 11.560 6.210 1.00 0.00 H new ATOM 301 N PRO A 20 -0.896 10.462 7.274 1.00 0.00 N ATOM 302 CA PRO A 20 -2.066 9.934 6.577 1.00 0.00 C ATOM 303 C PRO A 20 -2.025 9.974 5.044 1.00 0.00 C ATOM 304 O PRO A 20 -2.801 9.261 4.414 1.00 0.00 O ATOM 305 CB PRO A 20 -3.282 10.668 7.153 1.00 0.00 C ATOM 306 CG PRO A 20 -2.689 11.893 7.843 1.00 0.00 C ATOM 307 CD PRO A 20 -1.329 11.385 8.313 1.00 0.00 C ATOM 0 HA PRO A 20 -2.109 8.860 6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.983 10.953 6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.829 10.041 7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.592 12.736 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.307 12.228 8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.621 12.205 8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.406 10.885 9.279 1.00 0.00 H new ATOM 315 N ASN A 21 -1.156 10.773 4.415 1.00 0.00 N ATOM 316 CA ASN A 21 -1.048 10.832 2.971 1.00 0.00 C ATOM 317 C ASN A 21 -0.050 9.800 2.428 1.00 0.00 C ATOM 318 O ASN A 21 -0.126 9.454 1.249 1.00 0.00 O ATOM 319 CB ASN A 21 -0.629 12.252 2.601 1.00 0.00 C ATOM 320 CG ASN A 21 -0.571 12.411 1.093 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.588 12.518 0.421 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.618 12.431 0.524 1.00 0.00 N ATOM 0 H ASN A 21 -0.511 11.394 4.903 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.009 10.586 2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.336 12.968 3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.346 12.475 3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.698 12.537 -0.487 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.458 12.341 1.095 1.00 0.00 H new ATOM 329 N GLN A 22 0.883 9.304 3.256 1.00 0.00 N ATOM 330 CA GLN A 22 1.913 8.358 2.842 1.00 0.00 C ATOM 331 C GLN A 22 1.941 7.071 3.673 1.00 0.00 C ATOM 332 O GLN A 22 1.883 7.075 4.895 1.00 0.00 O ATOM 333 CB GLN A 22 3.310 8.998 2.898 1.00 0.00 C ATOM 334 CG GLN A 22 3.758 9.761 1.644 1.00 0.00 C ATOM 335 CD GLN A 22 3.944 11.245 1.941 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.228 12.092 1.425 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.898 11.598 2.787 1.00 0.00 N ATOM 0 H GLN A 22 0.938 9.556 4.243 1.00 0.00 H new ATOM 0 HA GLN A 22 1.651 8.091 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.339 9.684 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.039 8.213 3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.693 9.341 1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.018 9.635 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.491 10.886 3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.041 12.582 3.013 1.00 0.00 H new ATOM 346 N LEU A 23 2.085 5.946 2.978 1.00 0.00 N ATOM 347 CA LEU A 23 2.245 4.637 3.589 1.00 0.00 C ATOM 348 C LEU A 23 3.741 4.453 3.817 1.00 0.00 C ATOM 349 O LEU A 23 4.474 4.252 2.852 1.00 0.00 O ATOM 350 CB LEU A 23 1.781 3.539 2.630 1.00 0.00 C ATOM 351 CG LEU A 23 0.318 3.122 2.766 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.010 2.186 1.593 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.025 2.384 4.072 1.00 0.00 C ATOM 0 H LEU A 23 2.093 5.922 1.958 1.00 0.00 H new ATOM 0 HA LEU A 23 1.663 4.573 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.950 3.878 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.407 2.660 2.782 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.292 4.026 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.051 1.869 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.149 2.713 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.639 1.311 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.031 2.115 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.632 1.480 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.264 3.030 4.917 1.00 0.00 H new ATOM 365 N SER A 24 4.224 4.509 5.056 1.00 0.00 N ATOM 366 CA SER A 24 5.647 4.298 5.270 1.00 0.00 C ATOM 367 C SER A 24 6.012 2.853 4.906 1.00 0.00 C ATOM 368 O SER A 24 5.163 1.959 4.917 1.00 0.00 O ATOM 369 CB SER A 24 6.074 4.671 6.697 1.00 0.00 C ATOM 370 OG SER A 24 5.264 4.055 7.673 1.00 0.00 O ATOM 0 H SER A 24 3.674 4.691 5.895 1.00 0.00 H new ATOM 0 HA SER A 24 6.204 4.966 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.113 4.379 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.026 5.753 6.818 1.00 0.00 H new ATOM 0 HG SER A 24 4.452 4.586 7.807 1.00 0.00 H new ATOM 376 N LYS A 25 7.287 2.624 4.581 1.00 0.00 N ATOM 377 CA LYS A 25 7.818 1.306 4.254 1.00 0.00 C ATOM 378 C LYS A 25 7.366 0.303 5.313 1.00 0.00 C ATOM 379 O LYS A 25 6.840 -0.767 5.017 1.00 0.00 O ATOM 380 CB LYS A 25 9.344 1.423 4.054 1.00 0.00 C ATOM 381 CG LYS A 25 10.234 0.385 4.756 1.00 0.00 C ATOM 382 CD LYS A 25 11.732 0.731 4.730 1.00 0.00 C ATOM 383 CE LYS A 25 12.325 0.914 3.326 1.00 0.00 C ATOM 384 NZ LYS A 25 12.124 2.281 2.812 1.00 0.00 N ATOM 0 H LYS A 25 7.988 3.364 4.538 1.00 0.00 H new ATOM 0 HA LYS A 25 7.426 0.920 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.548 1.372 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.652 2.413 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.912 0.286 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.087 -0.586 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.889 1.648 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.282 -0.059 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.391 0.690 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.866 0.199 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.396 2.269 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.817 2.902 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.017 2.638 2.415 1.00 0.00 H new ATOM 398 N GLU A 26 7.565 0.708 6.562 1.00 0.00 N ATOM 399 CA GLU A 26 7.144 -0.015 7.748 1.00 0.00 C ATOM 400 C GLU A 26 5.637 -0.301 7.667 1.00 0.00 C ATOM 401 O GLU A 26 5.215 -1.451 7.750 1.00 0.00 O ATOM 402 CB GLU A 26 7.538 0.820 8.979 1.00 0.00 C ATOM 403 CG GLU A 26 6.997 0.281 10.313 1.00 0.00 C ATOM 404 CD GLU A 26 5.642 0.886 10.676 1.00 0.00 C ATOM 405 OE1 GLU A 26 5.625 2.103 10.958 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.653 0.125 10.662 1.00 0.00 O ATOM 0 H GLU A 26 8.042 1.582 6.781 1.00 0.00 H new ATOM 0 HA GLU A 26 7.637 -0.984 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.625 0.870 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.179 1.840 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.904 -0.803 10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.713 0.496 11.106 1.00 0.00 H new ATOM 413 N GLU A 27 4.828 0.746 7.502 1.00 0.00 N ATOM 414 CA GLU A 27 3.375 0.648 7.445 1.00 0.00 C ATOM 415 C GLU A 27 2.866 -0.381 6.432 1.00 0.00 C ATOM 416 O GLU A 27 1.915 -1.113 6.717 1.00 0.00 O ATOM 417 CB GLU A 27 2.796 2.031 7.133 1.00 0.00 C ATOM 418 CG GLU A 27 1.311 2.128 7.467 1.00 0.00 C ATOM 419 CD GLU A 27 1.041 1.965 8.959 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.821 2.543 9.745 1.00 0.00 O ATOM 421 OE2 GLU A 27 0.062 1.260 9.284 1.00 0.00 O ATOM 0 H GLU A 27 5.173 1.701 7.403 1.00 0.00 H new ATOM 0 HA GLU A 27 3.037 0.296 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.343 2.787 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.943 2.254 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.928 3.093 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.766 1.362 6.916 1.00 0.00 H new ATOM 428 N LEU A 28 3.476 -0.431 5.243 1.00 0.00 N ATOM 429 CA LEU A 28 3.051 -1.367 4.207 1.00 0.00 C ATOM 430 C LEU A 28 2.895 -2.794 4.746 1.00 0.00 C ATOM 431 O LEU A 28 1.933 -3.479 4.401 1.00 0.00 O ATOM 432 CB LEU A 28 4.055 -1.351 3.048 1.00 0.00 C ATOM 433 CG LEU A 28 3.540 -2.155 1.840 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.392 -1.436 1.120 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.678 -2.423 0.855 1.00 0.00 C ATOM 0 H LEU A 28 4.261 0.164 4.979 1.00 0.00 H new ATOM 0 HA LEU A 28 2.072 -1.044 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.246 -0.321 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.005 -1.766 3.384 1.00 0.00 H new ATOM 0 HG LEU A 28 3.157 -3.101 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.059 -2.038 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.562 -1.292 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.738 -0.467 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.298 -2.992 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.085 -1.475 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.463 -2.993 1.352 1.00 0.00 H new ATOM 447 N LYS A 29 3.836 -3.234 5.588 1.00 0.00 N ATOM 448 CA LYS A 29 3.827 -4.566 6.176 1.00 0.00 C ATOM 449 C LYS A 29 2.459 -4.852 6.790 1.00 0.00 C ATOM 450 O LYS A 29 1.726 -5.711 6.303 1.00 0.00 O ATOM 451 CB LYS A 29 4.953 -4.678 7.214 1.00 0.00 C ATOM 452 CG LYS A 29 4.888 -5.940 8.082 1.00 0.00 C ATOM 453 CD LYS A 29 4.901 -7.251 7.283 1.00 0.00 C ATOM 454 CE LYS A 29 6.200 -7.504 6.513 1.00 0.00 C ATOM 455 NZ LYS A 29 7.377 -7.528 7.399 1.00 0.00 N ATOM 0 H LYS A 29 4.631 -2.665 5.880 1.00 0.00 H new ATOM 0 HA LYS A 29 4.006 -5.315 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.912 -4.656 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.921 -3.803 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.733 -5.938 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.983 -5.905 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.730 -8.082 7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.070 -7.242 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.127 -8.454 5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.331 -6.728 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.208 -7.851 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.553 -6.572 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.202 -8.178 8.192 1.00 0.00 H new ATOM 469 N LEU A 30 2.121 -4.134 7.865 1.00 0.00 N ATOM 470 CA LEU A 30 0.858 -4.292 8.557 1.00 0.00 C ATOM 471 C LEU A 30 -0.307 -4.251 7.573 1.00 0.00 C ATOM 472 O LEU A 30 -1.201 -5.091 7.649 1.00 0.00 O ATOM 473 CB LEU A 30 0.667 -3.296 9.716 1.00 0.00 C ATOM 474 CG LEU A 30 1.782 -2.292 10.040 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.245 -1.259 11.038 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.979 -2.987 10.695 1.00 0.00 C ATOM 0 H LEU A 30 2.727 -3.424 8.275 1.00 0.00 H new ATOM 0 HA LEU A 30 0.878 -5.277 9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.238 -2.724 9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.478 -3.877 10.619 1.00 0.00 H new ATOM 0 HG LEU A 30 2.099 -1.825 9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.029 -0.540 11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.395 -0.737 10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.928 -1.765 11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.753 -2.251 10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.660 -3.464 11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.377 -3.742 10.017 1.00 0.00 H new ATOM 488 N LEU A 31 -0.292 -3.287 6.649 1.00 0.00 N ATOM 489 CA LEU A 31 -1.343 -3.122 5.660 1.00 0.00 C ATOM 490 C LEU A 31 -1.623 -4.431 4.935 1.00 0.00 C ATOM 491 O LEU A 31 -2.697 -5.021 5.062 1.00 0.00 O ATOM 492 CB LEU A 31 -0.936 -2.035 4.654 1.00 0.00 C ATOM 493 CG LEU A 31 -2.109 -1.340 3.948 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.601 -0.642 2.692 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.280 -2.240 3.552 1.00 0.00 C ATOM 0 H LEU A 31 0.457 -2.599 6.571 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.257 -2.820 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.345 -1.281 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.289 -2.482 3.899 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.504 -0.646 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.432 -0.148 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.850 0.099 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.157 -1.378 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.049 -1.642 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.930 -3.013 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.698 -2.707 4.444 1.00 0.00 H new ATOM 507 N LEU A 32 -0.645 -4.879 4.155 1.00 0.00 N ATOM 508 CA LEU A 32 -0.822 -6.055 3.328 1.00 0.00 C ATOM 509 C LEU A 32 -1.042 -7.296 4.178 1.00 0.00 C ATOM 510 O LEU A 32 -1.940 -8.084 3.895 1.00 0.00 O ATOM 511 CB LEU A 32 0.353 -6.247 2.365 1.00 0.00 C ATOM 512 CG LEU A 32 0.693 -5.016 1.512 1.00 0.00 C ATOM 513 CD1 LEU A 32 1.914 -5.337 0.645 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.468 -4.600 0.604 1.00 0.00 C ATOM 0 H LEU A 32 0.274 -4.443 4.082 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.717 -5.899 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.235 -6.527 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.128 -7.081 1.701 1.00 0.00 H new ATOM 0 HG LEU A 32 0.897 -4.187 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.165 -4.470 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.760 -5.587 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.688 -6.184 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.179 -3.725 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.714 -5.420 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.338 -4.358 1.214 1.00 0.00 H new ATOM 526 N GLN A 33 -0.225 -7.484 5.216 1.00 0.00 N ATOM 527 CA GLN A 33 -0.317 -8.661 6.050 1.00 0.00 C ATOM 528 C GLN A 33 -1.677 -8.794 6.734 1.00 0.00 C ATOM 529 O GLN A 33 -2.179 -9.903 6.878 1.00 0.00 O ATOM 530 CB GLN A 33 0.881 -8.709 7.001 1.00 0.00 C ATOM 531 CG GLN A 33 0.588 -8.291 8.448 1.00 0.00 C ATOM 532 CD GLN A 33 1.853 -8.288 9.299 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.236 -7.279 9.873 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.538 -9.418 9.402 1.00 0.00 N ATOM 0 H GLN A 33 0.506 -6.828 5.491 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.261 -9.550 5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.278 -9.724 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.664 -8.062 6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.141 -7.297 8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.142 -8.973 8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.213 -10.257 8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.390 -9.449 9.963 1.00 0.00 H new ATOM 543 N THR A 34 -2.271 -7.679 7.162 1.00 0.00 N ATOM 544 CA THR A 34 -3.563 -7.707 7.831 1.00 0.00 C ATOM 545 C THR A 34 -4.707 -7.801 6.820 1.00 0.00 C ATOM 546 O THR A 34 -5.615 -8.609 6.993 1.00 0.00 O ATOM 547 CB THR A 34 -3.719 -6.473 8.732 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.598 -6.369 9.584 1.00 0.00 O ATOM 549 CG2 THR A 34 -4.975 -6.554 9.604 1.00 0.00 C ATOM 0 H THR A 34 -1.873 -6.746 7.055 1.00 0.00 H new ATOM 0 HA THR A 34 -3.608 -8.599 8.456 1.00 0.00 H new ATOM 0 HB THR A 34 -3.803 -5.603 8.080 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.871 -5.911 9.113 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.045 -5.661 10.225 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.857 -6.623 8.967 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.919 -7.436 10.242 1.00 0.00 H new ATOM 557 N GLU A 35 -4.692 -6.967 5.777 1.00 0.00 N ATOM 558 CA GLU A 35 -5.791 -6.916 4.823 1.00 0.00 C ATOM 559 C GLU A 35 -5.809 -8.072 3.827 1.00 0.00 C ATOM 560 O GLU A 35 -6.889 -8.560 3.500 1.00 0.00 O ATOM 561 CB GLU A 35 -5.806 -5.569 4.094 1.00 0.00 C ATOM 562 CG GLU A 35 -5.934 -4.382 5.061 1.00 0.00 C ATOM 563 CD GLU A 35 -7.171 -4.459 5.950 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.255 -4.754 5.404 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.007 -4.204 7.164 1.00 0.00 O ATOM 0 H GLU A 35 -3.929 -6.320 5.576 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.702 -7.024 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.890 -5.463 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.636 -5.550 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.045 -4.337 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.965 -3.456 4.487 1.00 0.00 H new ATOM 572 N PHE A 36 -4.658 -8.516 3.317 1.00 0.00 N ATOM 573 CA PHE A 36 -4.657 -9.584 2.325 1.00 0.00 C ATOM 574 C PHE A 36 -3.307 -10.302 2.392 1.00 0.00 C ATOM 575 O PHE A 36 -2.470 -10.133 1.501 1.00 0.00 O ATOM 576 CB PHE A 36 -4.949 -9.023 0.918 1.00 0.00 C ATOM 577 CG PHE A 36 -4.989 -7.513 0.750 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.815 -6.837 0.371 1.00 0.00 C ATOM 579 CD2 PHE A 36 -6.213 -6.816 0.789 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.881 -5.502 -0.061 1.00 0.00 C ATOM 581 CE2 PHE A 36 -6.263 -5.458 0.429 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.100 -4.805 -0.012 1.00 0.00 C ATOM 0 H PHE A 36 -3.736 -8.160 3.569 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.449 -10.302 2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.193 -9.415 0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.910 -9.422 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.863 -7.345 0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.114 -7.326 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.993 -5.011 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.195 -4.917 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.143 -3.769 -0.313 1.00 0.00 H new ATOM 592 N PRO A 37 -3.075 -11.116 3.436 1.00 0.00 N ATOM 593 CA PRO A 37 -1.817 -11.819 3.620 1.00 0.00 C ATOM 594 C PRO A 37 -1.406 -12.633 2.392 1.00 0.00 C ATOM 595 O PRO A 37 -0.225 -12.751 2.087 1.00 0.00 O ATOM 596 CB PRO A 37 -1.977 -12.678 4.880 1.00 0.00 C ATOM 597 CG PRO A 37 -3.487 -12.733 5.115 1.00 0.00 C ATOM 598 CD PRO A 37 -3.990 -11.416 4.526 1.00 0.00 C ATOM 0 HA PRO A 37 -0.999 -11.110 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.561 -13.675 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.459 -12.236 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.939 -13.592 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.725 -12.815 6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.015 -11.511 4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.987 -10.623 5.274 1.00 0.00 H new ATOM 606 N SER A 38 -2.377 -13.198 1.678 1.00 0.00 N ATOM 607 CA SER A 38 -2.138 -14.011 0.506 1.00 0.00 C ATOM 608 C SER A 38 -1.692 -13.235 -0.736 1.00 0.00 C ATOM 609 O SER A 38 -1.179 -13.858 -1.662 1.00 0.00 O ATOM 610 CB SER A 38 -3.413 -14.812 0.241 1.00 0.00 C ATOM 611 OG SER A 38 -4.514 -13.921 0.205 1.00 0.00 O ATOM 0 H SER A 38 -3.366 -13.097 1.908 1.00 0.00 H new ATOM 0 HA SER A 38 -1.290 -14.664 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.331 -15.349 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.558 -15.559 1.021 1.00 0.00 H new ATOM 0 HG SER A 38 -5.337 -14.425 0.034 1.00 0.00 H new ATOM 617 N LEU A 39 -1.866 -11.910 -0.807 1.00 0.00 N ATOM 618 CA LEU A 39 -1.481 -11.170 -1.994 1.00 0.00 C ATOM 619 C LEU A 39 0.025 -10.970 -2.059 1.00 0.00 C ATOM 620 O LEU A 39 0.603 -10.992 -3.144 1.00 0.00 O ATOM 621 CB LEU A 39 -2.202 -9.817 -2.011 1.00 0.00 C ATOM 622 CG LEU A 39 -3.439 -9.820 -2.928 1.00 0.00 C ATOM 623 CD1 LEU A 39 -4.185 -8.486 -2.813 1.00 0.00 C ATOM 624 CD2 LEU A 39 -3.063 -10.011 -4.407 1.00 0.00 C ATOM 0 H LEU A 39 -2.267 -11.342 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.773 -11.748 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.506 -9.558 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.509 -9.044 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.063 -10.653 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.058 -8.500 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.505 -8.336 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.523 -7.672 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.967 -10.007 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.408 -9.199 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.547 -10.963 -4.531 1.00 0.00 H new ATOM 636 N LEU A 40 0.674 -10.771 -0.911 1.00 0.00 N ATOM 637 CA LEU A 40 2.110 -10.511 -0.866 1.00 0.00 C ATOM 638 C LEU A 40 2.956 -11.774 -1.088 1.00 0.00 C ATOM 639 O LEU A 40 3.853 -12.072 -0.304 1.00 0.00 O ATOM 640 CB LEU A 40 2.487 -9.729 0.401 1.00 0.00 C ATOM 641 CG LEU A 40 2.201 -10.485 1.709 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.426 -10.472 2.620 1.00 0.00 C ATOM 643 CD2 LEU A 40 1.061 -9.829 2.485 1.00 0.00 C ATOM 0 H LEU A 40 0.223 -10.785 0.004 1.00 0.00 H new ATOM 0 HA LEU A 40 2.354 -9.870 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.548 -9.481 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.940 -8.787 0.411 1.00 0.00 H new ATOM 0 HG LEU A 40 1.936 -11.505 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.201 -11.012 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.262 -10.952 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.690 -9.442 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.880 -10.384 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.331 -8.801 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.157 -9.832 1.876 1.00 0.00 H new ATOM 655 N LYS A 41 2.697 -12.509 -2.174 1.00 0.00 N ATOM 656 CA LYS A 41 3.463 -13.697 -2.529 1.00 0.00 C ATOM 657 C LYS A 41 4.896 -13.232 -2.786 1.00 0.00 C ATOM 658 O LYS A 41 5.850 -13.712 -2.178 1.00 0.00 O ATOM 659 CB LYS A 41 2.852 -14.381 -3.759 1.00 0.00 C ATOM 660 CG LYS A 41 1.412 -14.836 -3.493 1.00 0.00 C ATOM 661 CD LYS A 41 0.878 -15.621 -4.698 1.00 0.00 C ATOM 662 CE LYS A 41 -0.531 -16.172 -4.446 1.00 0.00 C ATOM 663 NZ LYS A 41 -1.511 -15.101 -4.197 1.00 0.00 N ATOM 0 H LYS A 41 1.947 -12.292 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 41 3.448 -14.438 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.867 -13.693 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.461 -15.241 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.378 -15.459 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.778 -13.970 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.863 -14.973 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.555 -16.445 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.849 -16.760 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.508 -16.847 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.473 -15.495 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.342 -14.687 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.411 -14.363 -4.923 1.00 0.00 H new ATOM 677 N GLY A 42 5.038 -12.243 -3.672 1.00 0.00 N ATOM 678 CA GLY A 42 6.314 -11.611 -3.964 1.00 0.00 C ATOM 679 C GLY A 42 6.566 -10.592 -2.854 1.00 0.00 C ATOM 680 O GLY A 42 6.658 -9.397 -3.110 1.00 0.00 O ATOM 0 H GLY A 42 4.260 -11.860 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.113 -12.351 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.290 -11.123 -4.938 1.00 0.00 H new ATOM 684 N GLY A 43 6.657 -11.077 -1.615 1.00 0.00 N ATOM 685 CA GLY A 43 6.849 -10.278 -0.416 1.00 0.00 C ATOM 686 C GLY A 43 7.786 -11.015 0.523 1.00 0.00 C ATOM 687 O GLY A 43 7.614 -11.007 1.738 1.00 0.00 O ATOM 0 H GLY A 43 6.596 -12.076 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.265 -9.304 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.892 -10.096 0.073 1.00 0.00 H new ATOM 691 N SER A 44 8.794 -11.652 -0.067 1.00 0.00 N ATOM 692 CA SER A 44 9.813 -12.407 0.628 1.00 0.00 C ATOM 693 C SER A 44 10.616 -11.456 1.513 1.00 0.00 C ATOM 694 O SER A 44 10.997 -11.799 2.627 1.00 0.00 O ATOM 695 CB SER A 44 10.666 -13.069 -0.452 1.00 0.00 C ATOM 696 OG SER A 44 11.081 -12.087 -1.388 1.00 0.00 O ATOM 0 H SER A 44 8.921 -11.652 -1.079 1.00 0.00 H new ATOM 0 HA SER A 44 9.403 -13.175 1.284 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.535 -13.549 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.095 -13.849 -0.955 1.00 0.00 H new ATOM 0 HG SER A 44 11.630 -12.508 -2.082 1.00 0.00 H new ATOM 702 N THR A 45 10.858 -10.249 0.999 1.00 0.00 N ATOM 703 CA THR A 45 11.554 -9.176 1.677 1.00 0.00 C ATOM 704 C THR A 45 10.722 -7.899 1.542 1.00 0.00 C ATOM 705 O THR A 45 10.323 -7.500 0.446 1.00 0.00 O ATOM 706 CB THR A 45 12.979 -9.030 1.144 1.00 0.00 C ATOM 707 OG1 THR A 45 13.000 -9.225 -0.253 1.00 0.00 O ATOM 708 CG2 THR A 45 13.918 -10.060 1.779 1.00 0.00 C ATOM 0 H THR A 45 10.558 -9.991 0.059 1.00 0.00 H new ATOM 0 HA THR A 45 11.662 -9.398 2.739 1.00 0.00 H new ATOM 0 HB THR A 45 13.317 -8.025 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.911 -9.445 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.924 -9.930 1.379 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.936 -9.919 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.564 -11.065 1.550 1.00 0.00 H new ATOM 716 N LEU A 46 10.456 -7.268 2.686 1.00 0.00 N ATOM 717 CA LEU A 46 9.640 -6.067 2.788 1.00 0.00 C ATOM 718 C LEU A 46 10.217 -4.958 1.922 1.00 0.00 C ATOM 719 O LEU A 46 9.513 -4.394 1.097 1.00 0.00 O ATOM 720 CB LEU A 46 9.536 -5.627 4.256 1.00 0.00 C ATOM 721 CG LEU A 46 8.826 -4.275 4.456 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.405 -4.264 3.877 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.778 -3.953 5.954 1.00 0.00 C ATOM 0 H LEU A 46 10.812 -7.589 3.586 1.00 0.00 H new ATOM 0 HA LEU A 46 8.636 -6.286 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.001 -6.393 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.539 -5.565 4.678 1.00 0.00 H new ATOM 0 HG LEU A 46 9.395 -3.518 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.951 -3.288 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.447 -4.465 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.806 -5.032 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.277 -2.997 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.230 -4.737 6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.793 -3.896 6.347 1.00 0.00 H new ATOM 735 N ASP A 47 11.496 -4.646 2.124 1.00 0.00 N ATOM 736 CA ASP A 47 12.209 -3.597 1.426 1.00 0.00 C ATOM 737 C ASP A 47 12.060 -3.784 -0.074 1.00 0.00 C ATOM 738 O ASP A 47 11.694 -2.844 -0.753 1.00 0.00 O ATOM 739 CB ASP A 47 13.680 -3.570 1.858 1.00 0.00 C ATOM 740 CG ASP A 47 14.437 -2.400 1.232 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.841 -1.303 1.158 1.00 0.00 O ATOM 742 OD2 ASP A 47 15.612 -2.620 0.870 1.00 0.00 O ATOM 0 H ASP A 47 12.077 -5.138 2.803 1.00 0.00 H new ATOM 0 HA ASP A 47 11.779 -2.630 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.738 -3.500 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.159 -4.507 1.573 1.00 0.00 H new ATOM 747 N GLU A 48 12.315 -4.985 -0.590 1.00 0.00 N ATOM 748 CA GLU A 48 12.188 -5.271 -2.011 1.00 0.00 C ATOM 749 C GLU A 48 10.768 -4.975 -2.508 1.00 0.00 C ATOM 750 O GLU A 48 10.579 -4.229 -3.469 1.00 0.00 O ATOM 751 CB GLU A 48 12.590 -6.728 -2.266 1.00 0.00 C ATOM 752 CG GLU A 48 14.072 -6.988 -1.944 1.00 0.00 C ATOM 753 CD GLU A 48 15.030 -6.124 -2.760 1.00 0.00 C ATOM 754 OE1 GLU A 48 14.811 -6.035 -3.988 1.00 0.00 O ATOM 755 OE2 GLU A 48 15.969 -5.580 -2.141 1.00 0.00 O ATOM 0 H GLU A 48 12.615 -5.784 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 48 12.857 -4.620 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.968 -7.386 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.397 -6.979 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.243 -6.805 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.297 -8.039 -2.127 1.00 0.00 H new ATOM 762 N LEU A 49 9.759 -5.552 -1.854 1.00 0.00 N ATOM 763 CA LEU A 49 8.366 -5.341 -2.238 1.00 0.00 C ATOM 764 C LEU A 49 8.016 -3.852 -2.201 1.00 0.00 C ATOM 765 O LEU A 49 7.573 -3.268 -3.188 1.00 0.00 O ATOM 766 CB LEU A 49 7.470 -6.193 -1.331 1.00 0.00 C ATOM 767 CG LEU A 49 5.978 -5.843 -1.410 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.421 -5.962 -2.835 1.00 0.00 C ATOM 769 CD2 LEU A 49 5.194 -6.787 -0.494 1.00 0.00 C ATOM 0 H LEU A 49 9.883 -6.171 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 49 8.201 -5.661 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.600 -7.243 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.804 -6.079 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 49 5.868 -4.805 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.362 -5.704 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.960 -5.282 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.544 -6.985 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.132 -6.545 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.347 -7.817 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.544 -6.672 0.532 1.00 0.00 H new ATOM 781 N PHE A 50 8.230 -3.224 -1.050 1.00 0.00 N ATOM 782 CA PHE A 50 8.001 -1.815 -0.849 1.00 0.00 C ATOM 783 C PHE A 50 8.789 -1.023 -1.891 1.00 0.00 C ATOM 784 O PHE A 50 8.289 -0.022 -2.375 1.00 0.00 O ATOM 785 CB PHE A 50 8.405 -1.454 0.584 1.00 0.00 C ATOM 786 CG PHE A 50 8.733 0.002 0.739 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.708 0.953 0.864 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.046 0.412 0.457 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.031 2.318 0.859 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.337 1.775 0.297 1.00 0.00 C ATOM 791 CZ PHE A 50 9.343 2.730 0.565 1.00 0.00 C ATOM 0 H PHE A 50 8.576 -3.700 -0.217 1.00 0.00 H new ATOM 0 HA PHE A 50 6.948 -1.564 -0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.593 -1.715 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.269 -2.051 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.680 0.637 0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.832 -0.322 0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.272 3.053 1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.318 2.087 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.586 3.782 0.545 1.00 0.00 H new ATOM 801 N GLU A 51 10.004 -1.443 -2.251 1.00 0.00 N ATOM 802 CA GLU A 51 10.787 -0.728 -3.260 1.00 0.00 C ATOM 803 C GLU A 51 10.101 -0.808 -4.623 1.00 0.00 C ATOM 804 O GLU A 51 10.022 0.205 -5.312 1.00 0.00 O ATOM 805 CB GLU A 51 12.237 -1.226 -3.330 1.00 0.00 C ATOM 806 CG GLU A 51 13.105 -0.588 -2.236 1.00 0.00 C ATOM 807 CD GLU A 51 14.475 -1.257 -2.139 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.497 -2.499 -1.998 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.476 -0.512 -2.211 1.00 0.00 O ATOM 0 H GLU A 51 10.463 -2.267 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 51 10.834 0.319 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.256 -2.311 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.656 -0.994 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.233 0.474 -2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.594 -0.664 -1.276 1.00 0.00 H new ATOM 816 N GLU A 52 9.591 -1.982 -5.014 1.00 0.00 N ATOM 817 CA GLU A 52 8.865 -2.116 -6.277 1.00 0.00 C ATOM 818 C GLU A 52 7.721 -1.105 -6.261 1.00 0.00 C ATOM 819 O GLU A 52 7.459 -0.403 -7.234 1.00 0.00 O ATOM 820 CB GLU A 52 8.322 -3.548 -6.423 1.00 0.00 C ATOM 821 CG GLU A 52 7.221 -3.657 -7.493 1.00 0.00 C ATOM 822 CD GLU A 52 6.714 -5.090 -7.629 1.00 0.00 C ATOM 823 OE1 GLU A 52 7.512 -5.931 -8.092 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.537 -5.316 -7.269 1.00 0.00 O ATOM 0 H GLU A 52 9.668 -2.846 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 52 9.524 -1.924 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.142 -4.219 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.926 -3.882 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.392 -3.000 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.609 -3.315 -8.452 1.00 0.00 H new ATOM 831 N LEU A 53 7.035 -1.068 -5.125 1.00 0.00 N ATOM 832 CA LEU A 53 5.915 -0.189 -4.866 1.00 0.00 C ATOM 833 C LEU A 53 6.285 1.296 -4.885 1.00 0.00 C ATOM 834 O LEU A 53 5.584 2.092 -5.503 1.00 0.00 O ATOM 835 CB LEU A 53 5.313 -0.596 -3.518 1.00 0.00 C ATOM 836 CG LEU A 53 4.156 -1.572 -3.719 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.018 -2.451 -2.482 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.874 -0.764 -3.926 1.00 0.00 C ATOM 0 H LEU A 53 7.256 -1.673 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 53 5.188 -0.302 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.080 -1.056 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.961 0.289 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 53 4.340 -2.206 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.193 -3.149 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.942 -3.008 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.820 -1.826 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.035 -1.444 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.690 -0.143 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.982 -0.128 -4.805 1.00 0.00 H new ATOM 850 N ASP A 54 7.364 1.694 -4.213 1.00 0.00 N ATOM 851 CA ASP A 54 7.803 3.076 -4.100 1.00 0.00 C ATOM 852 C ASP A 54 8.558 3.464 -5.370 1.00 0.00 C ATOM 853 O ASP A 54 9.729 3.825 -5.322 1.00 0.00 O ATOM 854 CB ASP A 54 8.655 3.258 -2.827 1.00 0.00 C ATOM 855 CG ASP A 54 9.091 4.711 -2.598 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.563 5.606 -3.295 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.976 4.926 -1.738 1.00 0.00 O ATOM 0 H ASP A 54 7.972 1.041 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 54 6.945 3.742 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.085 2.915 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.540 2.626 -2.896 1.00 0.00 H new ATOM 862 N LYS A 55 7.874 3.407 -6.514 1.00 0.00 N ATOM 863 CA LYS A 55 8.432 3.764 -7.815 1.00 0.00 C ATOM 864 C LYS A 55 8.945 5.208 -7.800 1.00 0.00 C ATOM 865 O LYS A 55 9.883 5.552 -8.512 1.00 0.00 O ATOM 866 CB LYS A 55 7.384 3.554 -8.915 1.00 0.00 C ATOM 867 CG LYS A 55 6.851 2.124 -8.907 1.00 0.00 C ATOM 868 CD LYS A 55 5.869 1.924 -10.064 1.00 0.00 C ATOM 869 CE LYS A 55 6.094 0.541 -10.667 1.00 0.00 C ATOM 870 NZ LYS A 55 5.879 -0.531 -9.675 1.00 0.00 N ATOM 0 H LYS A 55 6.901 3.106 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 55 9.280 3.113 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.559 4.253 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.825 3.775 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.677 1.419 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.355 1.917 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.843 2.018 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.016 2.694 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.418 0.397 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.109 0.476 -11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.975 -1.457 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.586 -0.449 -8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.925 -0.443 -9.270 1.00 0.00 H new ATOM 884 N ASN A 56 8.332 6.053 -6.967 1.00 0.00 N ATOM 885 CA ASN A 56 8.716 7.446 -6.792 1.00 0.00 C ATOM 886 C ASN A 56 10.058 7.521 -6.054 1.00 0.00 C ATOM 887 O ASN A 56 10.796 8.482 -6.247 1.00 0.00 O ATOM 888 CB ASN A 56 7.587 8.144 -6.013 1.00 0.00 C ATOM 889 CG ASN A 56 7.734 9.638 -5.723 1.00 0.00 C ATOM 890 OD1 ASN A 56 6.875 10.239 -5.095 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.795 10.288 -6.159 1.00 0.00 N ATOM 0 H ASN A 56 7.540 5.777 -6.386 1.00 0.00 H new ATOM 0 HA ASN A 56 8.851 7.948 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.660 8.001 -6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.470 7.628 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.895 11.286 -5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.516 9.793 -6.684 1.00 0.00 H new ATOM 898 N GLY A 57 10.385 6.526 -5.225 1.00 0.00 N ATOM 899 CA GLY A 57 11.610 6.493 -4.447 1.00 0.00 C ATOM 900 C GLY A 57 11.608 7.661 -3.468 1.00 0.00 C ATOM 901 O GLY A 57 12.569 8.423 -3.412 1.00 0.00 O ATOM 0 H GLY A 57 9.790 5.710 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.688 5.549 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.476 6.555 -5.106 1.00 0.00 H new ATOM 905 N ASP A 58 10.519 7.806 -2.700 1.00 0.00 N ATOM 906 CA ASP A 58 10.358 8.918 -1.765 1.00 0.00 C ATOM 907 C ASP A 58 10.585 8.502 -0.313 1.00 0.00 C ATOM 908 O ASP A 58 10.639 9.363 0.560 1.00 0.00 O ATOM 909 CB ASP A 58 8.996 9.602 -1.963 1.00 0.00 C ATOM 910 CG ASP A 58 7.814 8.739 -1.538 1.00 0.00 C ATOM 911 OD1 ASP A 58 7.637 8.589 -0.309 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.105 8.257 -2.446 1.00 0.00 O ATOM 0 H ASP A 58 9.732 7.158 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 58 11.136 9.647 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.979 10.532 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.882 9.869 -3.014 1.00 0.00 H new ATOM 917 N GLY A 59 10.707 7.201 -0.041 1.00 0.00 N ATOM 918 CA GLY A 59 10.916 6.687 1.305 1.00 0.00 C ATOM 919 C GLY A 59 9.643 6.026 1.817 1.00 0.00 C ATOM 920 O GLY A 59 9.709 5.135 2.663 1.00 0.00 O ATOM 0 H GLY A 59 10.663 6.474 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.734 5.967 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.207 7.499 1.972 1.00 0.00 H new ATOM 924 N GLU A 60 8.482 6.443 1.304 1.00 0.00 N ATOM 925 CA GLU A 60 7.188 5.903 1.639 1.00 0.00 C ATOM 926 C GLU A 60 6.459 5.629 0.314 1.00 0.00 C ATOM 927 O GLU A 60 7.030 5.773 -0.761 1.00 0.00 O ATOM 928 CB GLU A 60 6.467 6.961 2.486 1.00 0.00 C ATOM 929 CG GLU A 60 7.374 7.510 3.601 1.00 0.00 C ATOM 930 CD GLU A 60 6.628 8.442 4.542 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.235 9.531 4.069 1.00 0.00 O ATOM 932 OE2 GLU A 60 6.486 8.053 5.719 1.00 0.00 O ATOM 0 H GLU A 60 8.430 7.196 0.618 1.00 0.00 H new ATOM 0 HA GLU A 60 7.237 4.975 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.141 7.780 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.571 6.525 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.790 6.679 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.213 8.043 3.155 1.00 0.00 H new ATOM 939 N VAL A 61 5.191 5.252 0.394 1.00 0.00 N ATOM 940 CA VAL A 61 4.262 5.051 -0.709 1.00 0.00 C ATOM 941 C VAL A 61 3.176 6.095 -0.430 1.00 0.00 C ATOM 942 O VAL A 61 3.182 6.714 0.626 1.00 0.00 O ATOM 943 CB VAL A 61 3.746 3.591 -0.709 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.510 3.334 -1.581 1.00 0.00 C ATOM 945 CG2 VAL A 61 4.861 2.661 -1.199 1.00 0.00 C ATOM 0 H VAL A 61 4.753 5.065 1.296 1.00 0.00 H new ATOM 0 HA VAL A 61 4.689 5.182 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 61 3.450 3.396 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.229 2.283 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.684 3.954 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.738 3.582 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.502 1.632 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.154 2.945 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.722 2.744 -0.535 1.00 0.00 H new ATOM 955 N SER A 62 2.228 6.310 -1.330 1.00 0.00 N ATOM 956 CA SER A 62 1.123 7.235 -1.132 1.00 0.00 C ATOM 957 C SER A 62 -0.050 6.631 -1.875 1.00 0.00 C ATOM 958 O SER A 62 0.148 5.703 -2.659 1.00 0.00 O ATOM 959 CB SER A 62 1.439 8.633 -1.672 1.00 0.00 C ATOM 960 OG SER A 62 1.436 8.589 -3.083 1.00 0.00 O ATOM 0 H SER A 62 2.205 5.838 -2.234 1.00 0.00 H new ATOM 0 HA SER A 62 0.916 7.367 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.700 9.351 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.410 8.967 -1.307 1.00 0.00 H new ATOM 0 HG SER A 62 1.636 9.480 -3.438 1.00 0.00 H new ATOM 966 N PHE A 63 -1.257 7.144 -1.663 1.00 0.00 N ATOM 967 CA PHE A 63 -2.401 6.623 -2.386 1.00 0.00 C ATOM 968 C PHE A 63 -2.202 6.774 -3.895 1.00 0.00 C ATOM 969 O PHE A 63 -2.748 5.982 -4.652 1.00 0.00 O ATOM 970 CB PHE A 63 -3.692 7.262 -1.890 1.00 0.00 C ATOM 971 CG PHE A 63 -4.936 6.827 -2.641 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.564 5.624 -2.280 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.327 7.485 -3.825 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.654 5.141 -3.027 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.358 6.949 -4.620 1.00 0.00 C ATOM 976 CZ PHE A 63 -7.093 5.842 -4.161 1.00 0.00 C ATOM 0 H PHE A 63 -1.462 7.902 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.488 5.555 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.818 7.024 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.598 8.345 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.209 5.067 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.836 8.400 -4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.153 4.231 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.584 7.388 -5.581 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.990 5.533 -4.678 1.00 0.00 H new ATOM 986 N GLU A 64 -1.406 7.756 -4.334 1.00 0.00 N ATOM 987 CA GLU A 64 -1.206 8.057 -5.741 1.00 0.00 C ATOM 988 C GLU A 64 -0.535 6.848 -6.367 1.00 0.00 C ATOM 989 O GLU A 64 -1.069 6.133 -7.210 1.00 0.00 O ATOM 990 CB GLU A 64 -0.315 9.313 -5.850 1.00 0.00 C ATOM 991 CG GLU A 64 -0.287 9.833 -7.290 1.00 0.00 C ATOM 992 CD GLU A 64 0.558 11.097 -7.403 1.00 0.00 C ATOM 993 OE1 GLU A 64 1.788 10.942 -7.562 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.040 12.190 -7.313 1.00 0.00 O ATOM 0 H GLU A 64 -0.880 8.366 -3.708 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.144 8.259 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.691 10.090 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.698 9.076 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.115 9.064 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.303 10.041 -7.624 1.00 0.00 H new ATOM 1001 N GLU A 65 0.671 6.649 -5.867 1.00 0.00 N ATOM 1002 CA GLU A 65 1.599 5.606 -6.184 1.00 0.00 C ATOM 1003 C GLU A 65 0.876 4.259 -6.060 1.00 0.00 C ATOM 1004 O GLU A 65 0.882 3.436 -6.974 1.00 0.00 O ATOM 1005 CB GLU A 65 2.691 5.827 -5.136 1.00 0.00 C ATOM 1006 CG GLU A 65 3.702 4.715 -5.015 1.00 0.00 C ATOM 1007 CD GLU A 65 4.733 4.781 -6.137 1.00 0.00 C ATOM 1008 OE1 GLU A 65 4.398 4.309 -7.245 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.824 5.334 -5.875 1.00 0.00 O ATOM 0 H GLU A 65 1.051 7.281 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 65 2.013 5.611 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.218 6.751 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.216 5.972 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.206 4.782 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.192 3.752 -5.043 1.00 0.00 H new ATOM 1016 N PHE A 66 0.234 4.052 -4.909 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.531 2.858 -4.590 1.00 0.00 C ATOM 1018 C PHE A 66 -1.532 2.489 -5.689 1.00 0.00 C ATOM 1019 O PHE A 66 -1.822 1.305 -5.838 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.204 3.076 -3.234 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.210 2.041 -2.781 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.827 0.701 -2.594 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.523 2.441 -2.482 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.788 -0.256 -2.224 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.444 1.510 -1.977 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.087 0.154 -1.875 1.00 0.00 C ATOM 0 H PHE A 66 0.236 4.736 -4.153 1.00 0.00 H new ATOM 0 HA PHE A 66 0.141 2.002 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.423 3.140 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.704 4.044 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.797 0.408 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.824 3.466 -2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.529 -1.304 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.426 1.835 -1.667 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.809 -0.571 -1.529 1.00 0.00 H new ATOM 1036 N GLN A 67 -2.051 3.437 -6.489 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.961 3.051 -7.565 1.00 0.00 C ATOM 1038 C GLN A 67 -2.341 2.024 -8.512 1.00 0.00 C ATOM 1039 O GLN A 67 -3.061 1.223 -9.100 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.654 4.224 -8.279 1.00 0.00 C ATOM 1041 CG GLN A 67 -4.349 5.194 -7.329 1.00 0.00 C ATOM 1042 CD GLN A 67 -5.237 4.423 -6.362 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -6.355 4.043 -6.681 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.747 4.168 -5.163 1.00 0.00 N ATOM 0 H GLN A 67 -1.862 4.436 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.788 2.543 -7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.914 4.770 -8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.388 3.828 -8.981 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.607 5.769 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.947 5.907 -7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.813 4.493 -4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.303 3.646 -4.485 1.00 0.00 H new ATOM 1053 N VAL A 68 -1.012 2.002 -8.638 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.357 0.984 -9.447 1.00 0.00 C ATOM 1055 C VAL A 68 -0.653 -0.390 -8.832 1.00 0.00 C ATOM 1056 O VAL A 68 -0.963 -1.342 -9.543 1.00 0.00 O ATOM 1057 CB VAL A 68 1.151 1.272 -9.557 1.00 0.00 C ATOM 1058 CG1 VAL A 68 1.866 0.180 -10.363 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.393 2.624 -10.242 1.00 0.00 C ATOM 0 H VAL A 68 -0.380 2.669 -8.195 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.745 0.995 -10.466 1.00 0.00 H new ATOM 0 HB VAL A 68 1.552 1.292 -8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.930 0.410 -10.424 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.731 -0.783 -9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.446 0.136 -11.368 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.465 2.810 -10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.963 2.607 -11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.924 3.416 -9.659 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.587 -0.493 -7.502 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.868 -1.725 -6.778 1.00 0.00 C ATOM 1071 C LEU A 69 -2.346 -2.057 -6.985 1.00 0.00 C ATOM 1072 O LEU A 69 -2.684 -3.171 -7.386 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.503 -1.527 -5.295 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.305 -2.788 -4.428 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.618 -3.538 -4.189 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.733 -3.754 -5.011 1.00 0.00 C ATOM 0 H LEU A 69 -0.334 0.287 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.274 -2.563 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.416 -0.943 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.286 -0.924 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 69 0.070 -2.420 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.428 -4.418 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.323 -2.883 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.039 -3.848 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.829 -4.622 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.412 -4.078 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.696 -3.250 -5.089 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.219 -1.074 -6.730 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.665 -1.224 -6.892 1.00 0.00 C ATOM 1090 C VAL A 70 -4.990 -1.742 -8.292 1.00 0.00 C ATOM 1091 O VAL A 70 -5.871 -2.577 -8.452 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.416 0.085 -6.595 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.927 -0.087 -6.811 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.175 0.546 -5.152 1.00 0.00 C ATOM 0 H VAL A 70 -2.938 -0.149 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.008 -1.957 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.032 0.837 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.435 0.853 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.117 -0.372 -7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.303 -0.864 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.718 1.474 -4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.526 -0.221 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.109 0.713 -4.997 1.00 0.00 H new ATOM 1104 N LYS A 71 -4.288 -1.263 -9.319 1.00 0.00 N ATOM 1105 CA LYS A 71 -4.514 -1.749 -10.664 1.00 0.00 C ATOM 1106 C LYS A 71 -3.983 -3.177 -10.799 1.00 0.00 C ATOM 1107 O LYS A 71 -4.703 -4.065 -11.254 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.867 -0.804 -11.690 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.981 -1.307 -13.140 1.00 0.00 C ATOM 1110 CD LYS A 71 -5.438 -1.510 -13.591 1.00 0.00 C ATOM 1111 CE LYS A 71 -5.520 -2.048 -15.024 1.00 0.00 C ATOM 1112 NZ LYS A 71 -5.037 -3.439 -15.115 1.00 0.00 N ATOM 0 H LYS A 71 -3.567 -0.546 -9.239 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.585 -1.768 -10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.336 0.177 -11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.814 -0.674 -11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.496 -0.593 -13.806 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.442 -2.249 -13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.935 -2.204 -12.913 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.974 -0.563 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.551 -1.998 -15.373 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.929 -1.414 -15.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.233 -3.813 -16.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.013 -3.463 -14.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.525 -4.023 -14.406 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.718 -3.413 -10.431 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.060 -4.683 -10.612 1.00 0.00 C ATOM 1128 C LYS A 72 -2.712 -5.868 -9.915 1.00 0.00 C ATOM 1129 O LYS A 72 -2.598 -6.990 -10.398 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.563 -4.546 -10.365 1.00 0.00 C ATOM 1131 CG LYS A 72 -0.037 -4.925 -8.972 1.00 0.00 C ATOM 1132 CD LYS A 72 0.427 -6.392 -8.931 1.00 0.00 C ATOM 1133 CE LYS A 72 0.962 -6.788 -7.550 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.198 -6.062 -7.202 1.00 0.00 N ATOM 0 H LYS A 72 -2.126 -2.707 -9.994 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.197 -4.953 -11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.043 -5.161 -11.100 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.283 -3.511 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.793 -4.271 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.820 -4.768 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.406 -7.043 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.205 -6.547 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.201 -6.588 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.155 -7.861 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.579 -6.433 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.901 -6.191 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.987 -5.049 -7.094 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.418 -5.668 -8.807 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.132 -6.795 -8.198 1.00 0.00 C ATOM 1150 C ILE A 73 -5.159 -7.340 -9.207 1.00 0.00 C ATOM 1151 O ILE A 73 -5.453 -8.534 -9.217 1.00 0.00 O ATOM 1152 CB ILE A 73 -4.799 -6.396 -6.875 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.554 -5.076 -7.034 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -3.740 -6.273 -5.774 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.727 -4.953 -6.078 1.00 0.00 C ATOM 0 H ILE A 73 -3.513 -4.775 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.416 -7.580 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.514 -7.169 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.867 -4.247 -6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.915 -4.990 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.220 -5.989 -4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.234 -7.230 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.012 -5.512 -6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.226 -3.997 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.432 -5.764 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.367 -5.009 -5.051 1.00 0.00 H new ATOM 1167 N SER A 74 -5.672 -6.466 -10.081 1.00 0.00 N ATOM 1168 CA SER A 74 -6.595 -6.769 -11.161 1.00 0.00 C ATOM 1169 C SER A 74 -5.861 -6.656 -12.506 1.00 0.00 C ATOM 1170 O SER A 74 -6.471 -6.352 -13.527 1.00 0.00 O ATOM 1171 CB SER A 74 -7.788 -5.806 -11.065 1.00 0.00 C ATOM 1172 OG SER A 74 -7.362 -4.492 -10.753 1.00 0.00 O ATOM 0 H SER A 74 -5.435 -5.474 -10.044 1.00 0.00 H new ATOM 0 HA SER A 74 -6.972 -7.789 -11.083 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.331 -5.800 -12.010 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.482 -6.157 -10.301 1.00 0.00 H new ATOM 0 HG SER A 74 -6.455 -4.352 -11.097 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.544 -6.895 -12.517 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.705 -6.846 -13.713 1.00 0.00 C ATOM 1180 C GLN A 75 -4.358 -7.553 -14.906 1.00 0.00 C ATOM 1181 O GLN A 75 -4.046 -7.239 -16.053 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.287 -7.394 -13.441 1.00 0.00 C ATOM 1183 CG GLN A 75 -2.168 -8.909 -13.168 1.00 0.00 C ATOM 1184 CD GLN A 75 -3.375 -9.555 -12.486 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -4.175 -10.222 -13.127 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.544 -9.354 -11.192 1.00 0.00 N ATOM 0 H GLN A 75 -4.023 -7.133 -11.673 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.604 -5.794 -13.980 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.659 -7.153 -14.299 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.875 -6.861 -12.584 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.994 -9.418 -14.116 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.288 -9.080 -12.548 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.869 -8.796 -10.670 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.350 -9.757 -10.714 1.00 0.00 H new TER 1195 GLN A 75