USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 748 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc=-0.000735 X(o=-0.00074,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -176:sc= 1.24 USER MOD Single : A 33 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-3.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.2 K(o=1.2,f=-0.0042) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.601 X(o=-0.6,f=-0.4) USER MOD Single : A 58 GLN : amide:sc= 0.787 K(o=0.79,f=-0.09) USER MOD Single : A 62 HIS : no HE2:sc= -2.21 K(o=-2.2,f=-6.4!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0015 USER MOD Single : A 64 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.018) USER MOD Single : A 70 SER OG : rot -38:sc= 0.16 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 11.043 -7.020 -5.208 1.00 0.00 N ATOM 12 CA LEU A 2 9.838 -6.580 -5.885 1.00 0.00 C ATOM 13 C LEU A 2 9.188 -7.709 -6.684 1.00 0.00 C ATOM 14 O LEU A 2 9.742 -8.151 -7.699 1.00 0.00 O ATOM 15 CB LEU A 2 10.179 -5.465 -6.886 1.00 0.00 C ATOM 16 CG LEU A 2 10.661 -4.140 -6.289 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.494 -3.437 -7.371 1.00 0.00 C ATOM 18 CD2 LEU A 2 9.473 -3.294 -5.813 1.00 0.00 C ATOM 0 HA LEU A 2 9.152 -6.234 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.950 -5.836 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.294 -5.266 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 2 11.278 -4.302 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.859 -2.484 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.341 -4.067 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.874 -3.260 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.839 -2.357 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.817 -3.081 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.918 -3.842 -5.051 1.00 0.00 H new ATOM 30 N THR A 3 8.012 -8.121 -6.242 1.00 0.00 N ATOM 31 CA THR A 3 7.165 -9.132 -6.869 1.00 0.00 C ATOM 32 C THR A 3 5.762 -8.492 -6.976 1.00 0.00 C ATOM 33 O THR A 3 5.514 -7.429 -6.395 1.00 0.00 O ATOM 34 CB THR A 3 7.210 -10.476 -6.110 1.00 0.00 C ATOM 35 OG1 THR A 3 8.534 -10.944 -5.939 1.00 0.00 O ATOM 36 CG2 THR A 3 6.455 -11.577 -6.865 1.00 0.00 C ATOM 0 H THR A 3 7.597 -7.742 -5.391 1.00 0.00 H new ATOM 0 HA THR A 3 7.514 -9.408 -7.864 1.00 0.00 H new ATOM 0 HB THR A 3 6.746 -10.276 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.520 -11.795 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.509 -12.508 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.412 -11.285 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.907 -11.721 -7.846 1.00 0.00 H new ATOM 44 N THR A 4 4.836 -9.100 -7.714 1.00 0.00 N ATOM 45 CA THR A 4 3.475 -8.620 -7.914 1.00 0.00 C ATOM 46 C THR A 4 2.522 -9.742 -7.498 1.00 0.00 C ATOM 47 O THR A 4 2.736 -10.873 -7.933 1.00 0.00 O ATOM 48 CB THR A 4 3.308 -8.205 -9.390 1.00 0.00 C ATOM 49 OG1 THR A 4 3.987 -9.073 -10.283 1.00 0.00 O ATOM 50 CG2 THR A 4 3.878 -6.809 -9.650 1.00 0.00 C ATOM 0 H THR A 4 5.022 -9.973 -8.207 1.00 0.00 H new ATOM 0 HA THR A 4 3.251 -7.742 -7.308 1.00 0.00 H new ATOM 0 HB THR A 4 2.233 -8.240 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.849 -8.768 -11.204 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.743 -6.550 -10.700 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.357 -6.082 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.941 -6.799 -9.408 1.00 0.00 H new ATOM 58 N ILE A 5 1.493 -9.464 -6.689 1.00 0.00 N ATOM 59 CA ILE A 5 0.536 -10.478 -6.211 1.00 0.00 C ATOM 60 C ILE A 5 -0.900 -10.154 -6.656 1.00 0.00 C ATOM 61 O ILE A 5 -1.139 -9.106 -7.268 1.00 0.00 O ATOM 62 CB ILE A 5 0.706 -10.735 -4.688 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.043 -9.767 -3.746 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.192 -10.826 -4.287 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.259 -8.281 -3.937 1.00 0.00 C ATOM 0 H ILE A 5 1.297 -8.525 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 5 0.764 -11.431 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 5 0.220 -11.700 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.114 -9.920 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.194 -10.037 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.269 -11.006 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.665 -11.646 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.694 -9.891 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.322 -7.697 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.322 -8.102 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.007 -7.983 -4.951 1.00 0.00 H new ATOM 77 N SER A 6 -1.841 -11.068 -6.411 1.00 0.00 N ATOM 78 CA SER A 6 -3.248 -10.927 -6.773 1.00 0.00 C ATOM 79 C SER A 6 -3.972 -9.971 -5.802 1.00 0.00 C ATOM 80 O SER A 6 -3.467 -9.726 -4.702 1.00 0.00 O ATOM 81 CB SER A 6 -3.851 -12.337 -6.882 1.00 0.00 C ATOM 82 OG SER A 6 -3.856 -13.024 -5.646 1.00 0.00 O ATOM 0 H SER A 6 -1.637 -11.951 -5.942 1.00 0.00 H new ATOM 0 HA SER A 6 -3.372 -10.451 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.872 -12.263 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.284 -12.915 -7.612 1.00 0.00 H new ATOM 0 HG SER A 6 -4.250 -13.913 -5.767 1.00 0.00 H new ATOM 88 N PRO A 7 -5.167 -9.446 -6.141 1.00 0.00 N ATOM 89 CA PRO A 7 -5.877 -8.518 -5.271 1.00 0.00 C ATOM 90 C PRO A 7 -6.178 -9.031 -3.858 1.00 0.00 C ATOM 91 O PRO A 7 -6.058 -8.242 -2.916 1.00 0.00 O ATOM 92 CB PRO A 7 -7.130 -8.071 -6.035 1.00 0.00 C ATOM 93 CG PRO A 7 -7.322 -9.138 -7.107 1.00 0.00 C ATOM 94 CD PRO A 7 -5.901 -9.620 -7.386 1.00 0.00 C ATOM 0 HA PRO A 7 -5.224 -7.673 -5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.996 -8.009 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.995 -7.084 -6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.960 -9.949 -6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.790 -8.728 -8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.897 -10.664 -7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.445 -9.045 -8.192 1.00 0.00 H new ATOM 102 N HIS A 8 -6.568 -10.294 -3.682 1.00 0.00 N ATOM 103 CA HIS A 8 -6.881 -10.833 -2.361 1.00 0.00 C ATOM 104 C HIS A 8 -5.620 -11.227 -1.590 1.00 0.00 C ATOM 105 O HIS A 8 -5.598 -11.073 -0.368 1.00 0.00 O ATOM 106 CB HIS A 8 -7.825 -12.032 -2.513 1.00 0.00 C ATOM 107 CG HIS A 8 -8.502 -12.473 -1.236 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.420 -11.748 -0.502 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.413 -13.718 -0.671 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.844 -12.526 0.507 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.295 -13.751 0.417 1.00 0.00 N ATOM 0 H HIS A 8 -6.675 -10.965 -4.443 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.373 -10.053 -1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.592 -11.782 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.260 -12.872 -2.917 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.779 -14.526 -1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.529 -12.213 1.281 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.484 -14.549 1.023 1.00 0.00 H new ATOM 119 N ASP A 9 -4.559 -11.690 -2.271 1.00 0.00 N ATOM 120 CA ASP A 9 -3.331 -12.095 -1.568 1.00 0.00 C ATOM 121 C ASP A 9 -2.698 -10.922 -0.829 1.00 0.00 C ATOM 122 O ASP A 9 -2.014 -11.110 0.171 1.00 0.00 O ATOM 123 CB ASP A 9 -2.286 -12.754 -2.471 1.00 0.00 C ATOM 124 CG ASP A 9 -1.459 -13.784 -1.683 1.00 0.00 C ATOM 125 OD1 ASP A 9 -0.207 -13.699 -1.708 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.052 -14.709 -1.078 1.00 0.00 O ATOM 0 H ASP A 9 -4.525 -11.792 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.655 -12.850 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.780 -13.243 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.626 -11.993 -2.888 1.00 0.00 H new ATOM 131 N ALA A 10 -2.951 -9.695 -1.293 1.00 0.00 N ATOM 132 CA ALA A 10 -2.441 -8.490 -0.657 1.00 0.00 C ATOM 133 C ALA A 10 -2.848 -8.505 0.820 1.00 0.00 C ATOM 134 O ALA A 10 -1.997 -8.348 1.695 1.00 0.00 O ATOM 135 CB ALA A 10 -3.012 -7.260 -1.368 1.00 0.00 C ATOM 0 H ALA A 10 -3.517 -9.515 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.354 -8.452 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.631 -6.356 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.712 -7.273 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.100 -7.274 -1.302 1.00 0.00 H new ATOM 141 N GLN A 11 -4.147 -8.687 1.078 1.00 0.00 N ATOM 142 CA GLN A 11 -4.747 -8.745 2.393 1.00 0.00 C ATOM 143 C GLN A 11 -4.191 -9.923 3.183 1.00 0.00 C ATOM 144 O GLN A 11 -3.815 -9.763 4.339 1.00 0.00 O ATOM 145 CB GLN A 11 -6.258 -8.884 2.207 1.00 0.00 C ATOM 146 CG GLN A 11 -7.022 -8.507 3.483 1.00 0.00 C ATOM 147 CD GLN A 11 -7.846 -9.654 4.078 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.379 -10.510 3.381 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.005 -9.684 5.389 1.00 0.00 N ATOM 0 H GLN A 11 -4.833 -8.802 0.332 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.518 -7.840 2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.584 -8.246 1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.498 -9.910 1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.310 -8.159 4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.687 -7.672 3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.563 -8.974 5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.569 -10.418 5.818 1.00 0.00 H new ATOM 158 N GLU A 12 -4.143 -11.087 2.541 1.00 0.00 N ATOM 159 CA GLU A 12 -3.650 -12.343 3.086 1.00 0.00 C ATOM 160 C GLU A 12 -2.244 -12.192 3.658 1.00 0.00 C ATOM 161 O GLU A 12 -1.974 -12.698 4.743 1.00 0.00 O ATOM 162 CB GLU A 12 -3.682 -13.372 1.953 1.00 0.00 C ATOM 163 CG GLU A 12 -3.314 -14.789 2.372 1.00 0.00 C ATOM 164 CD GLU A 12 -4.217 -15.383 3.446 1.00 0.00 C ATOM 165 OE1 GLU A 12 -5.437 -15.088 3.488 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.730 -16.233 4.226 1.00 0.00 O ATOM 0 H GLU A 12 -4.464 -11.182 1.577 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.280 -12.668 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.682 -13.384 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.998 -13.050 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.343 -15.434 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.287 -14.792 2.736 1.00 0.00 H new ATOM 173 N LEU A 13 -1.345 -11.493 2.966 1.00 0.00 N ATOM 174 CA LEU A 13 0.017 -11.315 3.437 1.00 0.00 C ATOM 175 C LEU A 13 0.000 -10.554 4.753 1.00 0.00 C ATOM 176 O LEU A 13 0.647 -10.971 5.712 1.00 0.00 O ATOM 177 CB LEU A 13 0.852 -10.572 2.383 1.00 0.00 C ATOM 178 CG LEU A 13 1.177 -11.361 1.104 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.921 -10.451 0.119 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.018 -12.598 1.404 1.00 0.00 C ATOM 0 H LEU A 13 -1.543 -11.041 2.073 1.00 0.00 H new ATOM 0 HA LEU A 13 0.476 -12.290 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.320 -9.664 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.790 -10.262 2.843 1.00 0.00 H new ATOM 0 HG LEU A 13 0.238 -11.698 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.152 -11.009 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.294 -9.595 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.847 -10.101 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.227 -13.130 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.957 -12.296 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.472 -13.254 2.082 1.00 0.00 H new ATOM 192 N ILE A 14 -0.725 -9.437 4.802 1.00 0.00 N ATOM 193 CA ILE A 14 -0.835 -8.602 5.993 1.00 0.00 C ATOM 194 C ILE A 14 -1.443 -9.430 7.124 1.00 0.00 C ATOM 195 O ILE A 14 -0.913 -9.426 8.231 1.00 0.00 O ATOM 196 CB ILE A 14 -1.639 -7.322 5.683 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.016 -6.501 4.532 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.723 -6.400 6.902 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.102 -5.912 3.631 1.00 0.00 C ATOM 0 H ILE A 14 -1.257 -9.084 4.006 1.00 0.00 H new ATOM 0 HA ILE A 14 0.151 -8.269 6.317 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.631 -7.669 5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.404 -5.698 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.355 -7.137 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.296 -5.509 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.214 -6.924 7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.718 -6.109 7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.638 -5.339 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.697 -6.719 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.747 -5.258 4.218 1.00 0.00 H new ATOM 211 N ALA A 15 -2.510 -10.184 6.835 1.00 0.00 N ATOM 212 CA ALA A 15 -3.182 -11.022 7.817 1.00 0.00 C ATOM 213 C ALA A 15 -2.194 -12.004 8.448 1.00 0.00 C ATOM 214 O ALA A 15 -2.211 -12.190 9.666 1.00 0.00 O ATOM 215 CB ALA A 15 -4.368 -11.754 7.174 1.00 0.00 C ATOM 0 H ALA A 15 -2.929 -10.225 5.906 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.573 -10.388 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.860 -12.376 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.078 -11.024 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.009 -12.382 6.358 1.00 0.00 H new ATOM 221 N ARG A 16 -1.316 -12.609 7.641 1.00 0.00 N ATOM 222 CA ARG A 16 -0.326 -13.555 8.140 1.00 0.00 C ATOM 223 C ARG A 16 0.788 -12.841 8.903 1.00 0.00 C ATOM 224 O ARG A 16 1.331 -13.425 9.847 1.00 0.00 O ATOM 225 CB ARG A 16 0.285 -14.333 6.976 1.00 0.00 C ATOM 226 CG ARG A 16 -0.718 -15.203 6.210 1.00 0.00 C ATOM 227 CD ARG A 16 -0.054 -15.593 4.896 1.00 0.00 C ATOM 228 NE ARG A 16 -0.901 -16.467 4.089 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.526 -17.029 2.940 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.689 -16.805 2.436 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.386 -17.805 2.296 1.00 0.00 N ATOM 0 H ARG A 16 -1.275 -12.455 6.633 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.833 -14.239 8.821 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.742 -13.628 6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.084 -14.969 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.980 -16.089 6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.643 -14.656 6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.181 -14.693 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.891 -16.095 5.103 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.844 -16.661 4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.342 -16.198 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.964 -17.241 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.317 -17.964 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.117 -18.244 1.415 1.00 0.00 H new ATOM 245 N GLY A 17 1.180 -11.629 8.507 1.00 0.00 N ATOM 246 CA GLY A 17 2.235 -10.911 9.202 1.00 0.00 C ATOM 247 C GLY A 17 2.860 -9.725 8.470 1.00 0.00 C ATOM 248 O GLY A 17 3.664 -9.028 9.100 1.00 0.00 O ATOM 0 H GLY A 17 0.781 -11.131 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.834 -10.552 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.028 -11.620 9.440 1.00 0.00 H new ATOM 252 N ALA A 18 2.582 -9.516 7.180 1.00 0.00 N ATOM 253 CA ALA A 18 3.127 -8.410 6.392 1.00 0.00 C ATOM 254 C ALA A 18 2.535 -7.061 6.839 1.00 0.00 C ATOM 255 O ALA A 18 1.772 -6.982 7.798 1.00 0.00 O ATOM 256 CB ALA A 18 2.871 -8.671 4.895 1.00 0.00 C ATOM 0 H ALA A 18 1.960 -10.123 6.645 1.00 0.00 H new ATOM 0 HA ALA A 18 4.203 -8.353 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.277 -7.847 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.356 -9.601 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.798 -8.749 4.718 1.00 0.00 H new ATOM 262 N LYS A 19 2.885 -5.974 6.147 1.00 0.00 N ATOM 263 CA LYS A 19 2.384 -4.628 6.430 1.00 0.00 C ATOM 264 C LYS A 19 1.969 -3.978 5.126 1.00 0.00 C ATOM 265 O LYS A 19 2.503 -4.315 4.069 1.00 0.00 O ATOM 266 CB LYS A 19 3.461 -3.761 7.103 1.00 0.00 C ATOM 267 CG LYS A 19 3.074 -3.303 8.523 1.00 0.00 C ATOM 268 CD LYS A 19 1.960 -2.240 8.504 1.00 0.00 C ATOM 269 CE LYS A 19 1.651 -1.734 9.918 1.00 0.00 C ATOM 270 NZ LYS A 19 0.668 -2.574 10.631 1.00 0.00 N ATOM 0 H LYS A 19 3.535 -6.006 5.362 1.00 0.00 H new ATOM 0 HA LYS A 19 1.536 -4.709 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.393 -4.324 7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.650 -2.884 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.743 -4.164 9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.953 -2.898 9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.263 -1.404 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.058 -2.663 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.575 -1.698 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.272 -0.714 9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.500 -2.182 11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.226 -2.589 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.036 -3.543 10.717 1.00 0.00 H new ATOM 284 N LEU A 20 1.091 -2.984 5.198 1.00 0.00 N ATOM 285 CA LEU A 20 0.625 -2.277 4.024 1.00 0.00 C ATOM 286 C LEU A 20 1.012 -0.824 4.136 1.00 0.00 C ATOM 287 O LEU A 20 0.656 -0.141 5.096 1.00 0.00 O ATOM 288 CB LEU A 20 -0.889 -2.413 3.881 1.00 0.00 C ATOM 289 CG LEU A 20 -1.437 -1.924 2.530 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.749 -2.544 1.316 1.00 0.00 C ATOM 291 CD2 LEU A 20 -2.934 -2.242 2.454 1.00 0.00 C ATOM 0 H LEU A 20 0.686 -2.650 6.073 1.00 0.00 H new ATOM 0 HA LEU A 20 1.088 -2.710 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.164 -3.459 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.371 -1.852 4.681 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.241 -0.852 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.194 -2.147 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.314 -2.302 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.875 -3.626 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.331 -1.898 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.082 -3.318 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.455 -1.736 3.267 1.00 0.00 H new ATOM 303 N ILE A 21 1.810 -0.360 3.194 1.00 0.00 N ATOM 304 CA ILE A 21 2.240 1.016 3.130 1.00 0.00 C ATOM 305 C ILE A 21 1.596 1.497 1.838 1.00 0.00 C ATOM 306 O ILE A 21 1.466 0.758 0.860 1.00 0.00 O ATOM 307 CB ILE A 21 3.780 1.136 3.181 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.358 1.094 4.615 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.211 2.487 2.597 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.930 -0.095 5.476 1.00 0.00 C ATOM 0 H ILE A 21 2.181 -0.940 2.442 1.00 0.00 H new ATOM 0 HA ILE A 21 1.938 1.631 3.978 1.00 0.00 H new ATOM 0 HB ILE A 21 4.156 0.283 2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.446 1.095 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.070 2.011 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.297 2.569 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.877 2.559 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.766 3.294 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.396 -0.019 6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.846 -0.092 5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.243 -1.023 4.997 1.00 0.00 H new ATOM 322 N ASP A 22 1.146 2.738 1.831 1.00 0.00 N ATOM 323 CA ASP A 22 0.533 3.335 0.677 1.00 0.00 C ATOM 324 C ASP A 22 1.300 4.597 0.379 1.00 0.00 C ATOM 325 O ASP A 22 1.591 5.371 1.284 1.00 0.00 O ATOM 326 CB ASP A 22 -0.942 3.520 0.915 1.00 0.00 C ATOM 327 CG ASP A 22 -1.379 4.788 1.603 1.00 0.00 C ATOM 328 OD1 ASP A 22 -1.509 5.795 0.880 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.975 4.635 2.685 1.00 0.00 O ATOM 0 H ASP A 22 1.200 3.359 2.638 1.00 0.00 H new ATOM 0 HA ASP A 22 0.584 2.702 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.448 3.468 -0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.296 2.676 1.507 1.00 0.00 H new ATOM 334 N ILE A 23 1.671 4.741 -0.887 1.00 0.00 N ATOM 335 CA ILE A 23 2.458 5.856 -1.393 1.00 0.00 C ATOM 336 C ILE A 23 1.592 6.961 -2.008 1.00 0.00 C ATOM 337 O ILE A 23 2.064 7.755 -2.827 1.00 0.00 O ATOM 338 CB ILE A 23 3.606 5.289 -2.261 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.098 4.607 -3.550 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.447 4.303 -1.411 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.198 3.863 -4.320 1.00 0.00 C ATOM 0 H ILE A 23 1.425 4.065 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 23 2.939 6.400 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 23 4.227 6.125 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.306 3.904 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.655 5.361 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.258 3.900 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.863 4.828 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.812 3.487 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.772 3.408 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.980 4.566 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.625 3.086 -3.685 1.00 0.00 H new ATOM 353 N ARG A 24 0.293 6.946 -1.688 1.00 0.00 N ATOM 354 CA ARG A 24 -0.651 7.943 -2.164 1.00 0.00 C ATOM 355 C ARG A 24 -0.395 9.210 -1.355 1.00 0.00 C ATOM 356 O ARG A 24 0.353 9.207 -0.380 1.00 0.00 O ATOM 357 CB ARG A 24 -2.103 7.489 -1.947 1.00 0.00 C ATOM 358 CG ARG A 24 -2.428 6.110 -2.524 1.00 0.00 C ATOM 359 CD ARG A 24 -3.789 5.594 -2.042 1.00 0.00 C ATOM 360 NE ARG A 24 -3.734 5.153 -0.632 1.00 0.00 N ATOM 361 CZ ARG A 24 -4.259 4.038 -0.111 1.00 0.00 C ATOM 362 NH1 ARG A 24 -4.950 3.204 -0.883 1.00 0.00 N ATOM 363 NH2 ARG A 24 -4.092 3.732 1.173 1.00 0.00 N ATOM 0 H ARG A 24 -0.127 6.236 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.515 8.104 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.312 7.480 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.771 8.224 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.425 6.162 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.649 5.404 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.536 6.381 -2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.108 4.763 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.241 5.767 0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.080 3.414 -1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.350 2.354 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.556 4.352 1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.500 2.877 1.551 1.00 0.00 H new ATOM 377 N ASP A 25 -0.992 10.312 -1.787 1.00 0.00 N ATOM 378 CA ASP A 25 -0.842 11.587 -1.089 1.00 0.00 C ATOM 379 C ASP A 25 -1.575 11.453 0.250 1.00 0.00 C ATOM 380 O ASP A 25 -2.585 10.752 0.317 1.00 0.00 O ATOM 381 CB ASP A 25 -1.428 12.727 -1.936 1.00 0.00 C ATOM 382 CG ASP A 25 -0.633 12.925 -3.225 1.00 0.00 C ATOM 383 OD1 ASP A 25 0.263 13.796 -3.254 1.00 0.00 O ATOM 384 OD2 ASP A 25 -0.869 12.170 -4.202 1.00 0.00 O ATOM 0 H ASP A 25 -1.585 10.352 -2.616 1.00 0.00 H new ATOM 0 HA ASP A 25 0.208 11.825 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.468 12.506 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.424 13.651 -1.358 1.00 0.00 H new ATOM 389 N ALA A 26 -1.139 12.140 1.311 1.00 0.00 N ATOM 390 CA ALA A 26 -1.803 12.053 2.614 1.00 0.00 C ATOM 391 C ALA A 26 -3.287 12.430 2.505 1.00 0.00 C ATOM 392 O ALA A 26 -4.126 11.843 3.194 1.00 0.00 O ATOM 393 CB ALA A 26 -1.070 12.902 3.657 1.00 0.00 C ATOM 0 H ALA A 26 -0.330 12.761 1.292 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.761 11.017 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.581 12.822 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.045 12.546 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.061 13.944 3.337 1.00 0.00 H new ATOM 399 N ASP A 27 -3.603 13.362 1.603 1.00 0.00 N ATOM 400 CA ASP A 27 -4.945 13.854 1.303 1.00 0.00 C ATOM 401 C ASP A 27 -5.845 12.711 0.808 1.00 0.00 C ATOM 402 O ASP A 27 -7.051 12.714 1.054 1.00 0.00 O ATOM 403 CB ASP A 27 -4.816 14.940 0.226 1.00 0.00 C ATOM 404 CG ASP A 27 -6.160 15.489 -0.254 1.00 0.00 C ATOM 405 OD1 ASP A 27 -6.602 15.171 -1.383 1.00 0.00 O ATOM 406 OD2 ASP A 27 -6.760 16.318 0.462 1.00 0.00 O ATOM 0 H ASP A 27 -2.890 13.817 1.033 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.404 14.264 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.217 15.761 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.274 14.531 -0.627 1.00 0.00 H new ATOM 411 N GLU A 28 -5.282 11.725 0.100 1.00 0.00 N ATOM 412 CA GLU A 28 -6.013 10.576 -0.422 1.00 0.00 C ATOM 413 C GLU A 28 -6.426 9.659 0.723 1.00 0.00 C ATOM 414 O GLU A 28 -7.557 9.171 0.731 1.00 0.00 O ATOM 415 CB GLU A 28 -5.162 9.793 -1.437 1.00 0.00 C ATOM 416 CG GLU A 28 -4.952 10.562 -2.750 1.00 0.00 C ATOM 417 CD GLU A 28 -6.204 10.615 -3.632 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.120 11.214 -4.732 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.245 10.017 -3.274 1.00 0.00 O ATOM 0 H GLU A 28 -4.288 11.708 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.903 10.943 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.192 9.566 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.645 8.840 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.636 11.579 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.142 10.095 -3.310 1.00 0.00 H new ATOM 426 N TYR A 29 -5.517 9.382 1.664 1.00 0.00 N ATOM 427 CA TYR A 29 -5.797 8.523 2.815 1.00 0.00 C ATOM 428 C TYR A 29 -6.843 9.169 3.721 1.00 0.00 C ATOM 429 O TYR A 29 -7.680 8.476 4.298 1.00 0.00 O ATOM 430 CB TYR A 29 -4.501 8.269 3.597 1.00 0.00 C ATOM 431 CG TYR A 29 -4.606 7.280 4.753 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.040 7.665 6.040 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.194 5.956 4.544 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.044 6.731 7.098 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.142 5.034 5.600 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.564 5.415 6.892 1.00 0.00 C ATOM 437 OH TYR A 29 -4.528 4.510 7.910 1.00 0.00 O ATOM 0 H TYR A 29 -4.565 9.749 1.647 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.192 7.572 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.744 7.907 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.143 9.221 3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.370 8.678 6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.911 5.640 3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.415 7.022 8.070 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.779 4.032 5.424 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.110 3.681 7.596 1.00 0.00 H new ATOM 447 N LEU A 30 -6.820 10.500 3.813 1.00 0.00 N ATOM 448 CA LEU A 30 -7.718 11.295 4.640 1.00 0.00 C ATOM 449 C LEU A 30 -9.196 11.092 4.318 1.00 0.00 C ATOM 450 O LEU A 30 -10.030 11.143 5.222 1.00 0.00 O ATOM 451 CB LEU A 30 -7.358 12.771 4.459 1.00 0.00 C ATOM 452 CG LEU A 30 -7.728 13.627 5.680 1.00 0.00 C ATOM 453 CD1 LEU A 30 -6.852 13.335 6.903 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.552 15.091 5.284 1.00 0.00 C ATOM 0 H LEU A 30 -6.151 11.070 3.295 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.584 10.966 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.288 12.859 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.870 13.160 3.579 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.754 13.393 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.162 13.971 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.961 12.288 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.809 13.538 6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.807 15.730 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.516 15.268 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.207 15.322 4.444 1.00 0.00 H new ATOM 466 N ARG A 31 -9.515 10.895 3.037 1.00 0.00 N ATOM 467 CA ARG A 31 -10.886 10.688 2.570 1.00 0.00 C ATOM 468 C ARG A 31 -11.458 9.390 3.119 1.00 0.00 C ATOM 469 O ARG A 31 -12.345 9.418 3.967 1.00 0.00 O ATOM 470 CB ARG A 31 -10.958 10.703 1.041 1.00 0.00 C ATOM 471 CG ARG A 31 -10.811 12.122 0.497 1.00 0.00 C ATOM 472 CD ARG A 31 -11.197 12.107 -0.978 1.00 0.00 C ATOM 473 NE ARG A 31 -11.207 13.458 -1.548 1.00 0.00 N ATOM 474 CZ ARG A 31 -11.351 13.747 -2.838 1.00 0.00 C ATOM 475 NH1 ARG A 31 -11.582 12.786 -3.728 1.00 0.00 N ATOM 476 NH2 ARG A 31 -11.303 15.005 -3.239 1.00 0.00 N ATOM 0 H ARG A 31 -8.822 10.875 2.289 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.491 11.514 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.171 10.070 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.909 10.282 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.450 12.810 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.786 12.472 0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.495 11.483 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.183 11.656 -1.092 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.094 14.240 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.651 11.815 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.691 13.020 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.156 15.752 -2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.413 15.230 -4.228 1.00 0.00 H new ATOM 490 N GLU A 32 -11.008 8.259 2.582 1.00 0.00 N ATOM 491 CA GLU A 32 -11.406 6.913 2.955 1.00 0.00 C ATOM 492 C GLU A 32 -10.450 5.968 2.254 1.00 0.00 C ATOM 493 O GLU A 32 -10.294 6.069 1.036 1.00 0.00 O ATOM 494 CB GLU A 32 -12.859 6.578 2.559 1.00 0.00 C ATOM 495 CG GLU A 32 -13.310 6.829 1.106 1.00 0.00 C ATOM 496 CD GLU A 32 -14.841 6.829 0.991 1.00 0.00 C ATOM 497 OE1 GLU A 32 -15.431 7.930 0.853 1.00 0.00 O ATOM 498 OE2 GLU A 32 -15.480 5.749 1.050 1.00 0.00 O ATOM 0 H GLU A 32 -10.316 8.262 1.832 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.365 6.817 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.026 5.524 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.519 7.148 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.917 7.785 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.894 6.060 0.455 1.00 0.00 H new ATOM 505 N HIS A 33 -9.795 5.073 2.992 1.00 0.00 N ATOM 506 CA HIS A 33 -8.869 4.115 2.411 1.00 0.00 C ATOM 507 C HIS A 33 -8.833 2.824 3.241 1.00 0.00 C ATOM 508 O HIS A 33 -9.787 2.518 3.958 1.00 0.00 O ATOM 509 CB HIS A 33 -7.521 4.797 2.088 1.00 0.00 C ATOM 510 CG HIS A 33 -7.422 5.177 0.626 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.193 6.428 0.102 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.602 4.328 -0.432 1.00 0.00 C ATOM 513 CE1 HIS A 33 -7.184 6.319 -1.238 1.00 0.00 C ATOM 514 NE2 HIS A 33 -7.387 5.044 -1.613 1.00 0.00 N ATOM 0 H HIS A 33 -9.894 4.995 4.004 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.214 3.769 1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.407 5.689 2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.702 4.125 2.346 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.055 7.286 0.635 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.865 3.283 -0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.034 7.143 -1.920 1.00 0.00 H new ATOM 522 N ILE A 34 -7.814 1.988 3.044 1.00 0.00 N ATOM 523 CA ILE A 34 -7.642 0.705 3.720 1.00 0.00 C ATOM 524 C ILE A 34 -7.192 0.898 5.179 1.00 0.00 C ATOM 525 O ILE A 34 -6.277 1.687 5.415 1.00 0.00 O ATOM 526 CB ILE A 34 -6.623 -0.160 2.939 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.051 -0.283 1.458 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.508 -1.558 3.576 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.047 -1.032 0.588 1.00 0.00 C ATOM 0 H ILE A 34 -7.061 2.193 2.387 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.603 0.191 3.742 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.648 0.325 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.013 -0.794 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.199 0.716 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.788 -2.155 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.174 -1.461 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.481 -2.049 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.416 -1.078 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.090 -0.511 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.916 -2.044 0.972 1.00 0.00 H new ATOM 541 N PRO A 35 -7.764 0.151 6.143 1.00 0.00 N ATOM 542 CA PRO A 35 -7.404 0.232 7.560 1.00 0.00 C ATOM 543 C PRO A 35 -6.062 -0.438 7.845 1.00 0.00 C ATOM 544 O PRO A 35 -5.325 -0.021 8.735 1.00 0.00 O ATOM 545 CB PRO A 35 -8.512 -0.528 8.297 1.00 0.00 C ATOM 546 CG PRO A 35 -9.031 -1.528 7.267 1.00 0.00 C ATOM 547 CD PRO A 35 -8.849 -0.798 5.948 1.00 0.00 C ATOM 0 HA PRO A 35 -7.310 1.271 7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.127 -1.033 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.302 0.145 8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.467 -2.460 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.076 -1.783 7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.612 -1.498 5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.766 -0.284 5.660 1.00 0.00 H new ATOM 555 N GLU A 36 -5.741 -1.474 7.075 1.00 0.00 N ATOM 556 CA GLU A 36 -4.515 -2.249 7.186 1.00 0.00 C ATOM 557 C GLU A 36 -3.281 -1.432 6.792 1.00 0.00 C ATOM 558 O GLU A 36 -2.160 -1.891 7.020 1.00 0.00 O ATOM 559 CB GLU A 36 -4.585 -3.523 6.337 1.00 0.00 C ATOM 560 CG GLU A 36 -5.770 -4.413 6.709 1.00 0.00 C ATOM 561 CD GLU A 36 -5.674 -5.022 8.110 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.392 -6.233 8.234 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.003 -4.322 9.096 1.00 0.00 O ATOM 0 H GLU A 36 -6.352 -1.807 6.330 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.417 -2.527 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.657 -3.250 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.660 -4.087 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.687 -3.828 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.850 -5.218 5.979 1.00 0.00 H new ATOM 570 N ALA A 37 -3.470 -0.278 6.130 1.00 0.00 N ATOM 571 CA ALA A 37 -2.368 0.564 5.707 1.00 0.00 C ATOM 572 C ALA A 37 -2.151 1.717 6.659 1.00 0.00 C ATOM 573 O ALA A 37 -3.104 2.250 7.233 1.00 0.00 O ATOM 574 CB ALA A 37 -2.549 1.107 4.288 1.00 0.00 C ATOM 0 H ALA A 37 -4.390 0.085 5.880 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.488 -0.079 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.694 1.730 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.621 0.276 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.461 1.702 4.240 1.00 0.00 H new ATOM 580 N ASP A 38 -0.883 2.103 6.789 1.00 0.00 N ATOM 581 CA ASP A 38 -0.555 3.223 7.670 1.00 0.00 C ATOM 582 C ASP A 38 -0.673 4.522 6.891 1.00 0.00 C ATOM 583 O ASP A 38 -1.531 5.313 7.262 1.00 0.00 O ATOM 584 CB ASP A 38 0.808 3.088 8.332 1.00 0.00 C ATOM 585 CG ASP A 38 0.970 4.117 9.465 1.00 0.00 C ATOM 586 OD1 ASP A 38 0.950 3.725 10.657 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.207 5.316 9.222 1.00 0.00 O ATOM 0 H ASP A 38 -0.089 1.674 6.313 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.272 3.223 8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.925 2.080 8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.593 3.231 7.590 1.00 0.00 H new ATOM 592 N LEU A 39 0.112 4.658 5.804 1.00 0.00 N ATOM 593 CA LEU A 39 0.290 5.747 4.819 1.00 0.00 C ATOM 594 C LEU A 39 1.770 6.162 4.860 1.00 0.00 C ATOM 595 O LEU A 39 2.393 6.178 5.925 1.00 0.00 O ATOM 596 CB LEU A 39 -0.560 6.975 5.199 1.00 0.00 C ATOM 597 CG LEU A 39 -0.249 8.316 4.520 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.536 8.305 3.016 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.057 9.420 5.211 1.00 0.00 C ATOM 0 H LEU A 39 0.732 3.885 5.560 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.015 5.400 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.603 6.733 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.472 7.120 6.276 1.00 0.00 H new ATOM 0 HG LEU A 39 0.820 8.503 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.296 9.280 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.074 7.541 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.591 8.086 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.844 10.378 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.121 9.201 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.781 9.468 6.264 1.00 0.00 H new ATOM 611 N ALA A 40 2.346 6.501 3.708 1.00 0.00 N ATOM 612 CA ALA A 40 3.726 6.945 3.546 1.00 0.00 C ATOM 613 C ALA A 40 3.846 7.570 2.142 1.00 0.00 C ATOM 614 O ALA A 40 4.300 6.888 1.224 1.00 0.00 O ATOM 615 CB ALA A 40 4.701 5.774 3.745 1.00 0.00 C ATOM 0 H ALA A 40 1.839 6.472 2.823 1.00 0.00 H new ATOM 0 HA ALA A 40 3.989 7.688 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.724 6.127 3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.579 5.365 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.493 4.998 3.009 1.00 0.00 H new ATOM 621 N PRO A 41 3.452 8.839 1.939 1.00 0.00 N ATOM 622 CA PRO A 41 3.514 9.471 0.629 1.00 0.00 C ATOM 623 C PRO A 41 4.939 9.533 0.095 1.00 0.00 C ATOM 624 O PRO A 41 5.891 9.745 0.858 1.00 0.00 O ATOM 625 CB PRO A 41 2.914 10.875 0.789 1.00 0.00 C ATOM 626 CG PRO A 41 2.862 11.125 2.291 1.00 0.00 C ATOM 627 CD PRO A 41 2.912 9.744 2.933 1.00 0.00 C ATOM 0 HA PRO A 41 2.953 8.888 -0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.527 11.624 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.919 10.930 0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.701 11.740 2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.951 11.655 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.537 9.755 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.917 9.426 3.245 1.00 0.00 H new ATOM 635 N LEU A 42 5.079 9.382 -1.227 1.00 0.00 N ATOM 636 CA LEU A 42 6.364 9.440 -1.920 1.00 0.00 C ATOM 637 C LEU A 42 7.029 10.768 -1.553 1.00 0.00 C ATOM 638 O LEU A 42 8.216 10.823 -1.235 1.00 0.00 O ATOM 639 CB LEU A 42 6.175 9.379 -3.442 1.00 0.00 C ATOM 640 CG LEU A 42 7.342 8.790 -4.261 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.672 8.524 -3.540 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.844 7.491 -4.885 1.00 0.00 C ATOM 0 H LEU A 42 4.290 9.214 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 42 6.977 8.589 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.282 8.791 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.982 10.390 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 42 7.605 9.569 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.392 8.111 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.058 9.458 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.511 7.813 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.643 7.041 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.542 6.801 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.991 7.701 -5.530 1.00 0.00 H new ATOM 654 N SER A 43 6.227 11.836 -1.532 1.00 0.00 N ATOM 655 CA SER A 43 6.644 13.182 -1.211 1.00 0.00 C ATOM 656 C SER A 43 7.381 13.260 0.134 1.00 0.00 C ATOM 657 O SER A 43 8.280 14.093 0.270 1.00 0.00 O ATOM 658 CB SER A 43 5.419 14.109 -1.221 1.00 0.00 C ATOM 659 OG SER A 43 4.711 14.014 -2.449 1.00 0.00 O ATOM 0 H SER A 43 5.232 11.772 -1.748 1.00 0.00 H new ATOM 0 HA SER A 43 7.355 13.507 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.756 13.849 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.738 15.139 -1.061 1.00 0.00 H new ATOM 0 HG SER A 43 3.936 14.613 -2.427 1.00 0.00 H new ATOM 665 N VAL A 44 7.030 12.431 1.124 1.00 0.00 N ATOM 666 CA VAL A 44 7.653 12.437 2.450 1.00 0.00 C ATOM 667 C VAL A 44 8.832 11.474 2.477 1.00 0.00 C ATOM 668 O VAL A 44 9.876 11.766 3.063 1.00 0.00 O ATOM 669 CB VAL A 44 6.570 12.061 3.484 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.115 11.623 4.850 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.628 13.258 3.681 1.00 0.00 C ATOM 0 H VAL A 44 6.296 11.729 1.024 1.00 0.00 H new ATOM 0 HA VAL A 44 8.048 13.423 2.694 1.00 0.00 H new ATOM 0 HB VAL A 44 6.050 11.195 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.284 11.378 5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.749 10.746 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.699 12.434 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.860 13.000 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.198 14.114 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.157 13.510 2.731 1.00 0.00 H new ATOM 681 N LEU A 45 8.673 10.329 1.827 1.00 0.00 N ATOM 682 CA LEU A 45 9.670 9.282 1.745 1.00 0.00 C ATOM 683 C LEU A 45 10.933 9.780 1.073 1.00 0.00 C ATOM 684 O LEU A 45 12.019 9.638 1.630 1.00 0.00 O ATOM 685 CB LEU A 45 9.052 8.127 0.981 1.00 0.00 C ATOM 686 CG LEU A 45 8.090 7.344 1.894 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.310 6.392 1.024 1.00 0.00 C ATOM 688 CD2 LEU A 45 8.798 6.564 2.996 1.00 0.00 C ATOM 0 H LEU A 45 7.814 10.100 1.326 1.00 0.00 H new ATOM 0 HA LEU A 45 9.964 8.957 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.515 8.503 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.835 7.465 0.611 1.00 0.00 H new ATOM 0 HG LEU A 45 7.444 8.062 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.617 5.820 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.751 6.956 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.997 5.710 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.060 6.037 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.483 5.843 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.358 7.254 3.627 1.00 0.00 H new ATOM 700 N GLU A 46 10.802 10.418 -0.084 1.00 0.00 N ATOM 701 CA GLU A 46 11.936 10.967 -0.809 1.00 0.00 C ATOM 702 C GLU A 46 12.760 11.929 0.073 1.00 0.00 C ATOM 703 O GLU A 46 13.965 12.068 -0.149 1.00 0.00 O ATOM 704 CB GLU A 46 11.434 11.689 -2.062 1.00 0.00 C ATOM 705 CG GLU A 46 11.329 10.708 -3.231 1.00 0.00 C ATOM 706 CD GLU A 46 12.606 10.686 -4.073 1.00 0.00 C ATOM 707 OE1 GLU A 46 13.660 10.256 -3.559 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.564 11.061 -5.271 1.00 0.00 O ATOM 0 H GLU A 46 9.904 10.568 -0.545 1.00 0.00 H new ATOM 0 HA GLU A 46 12.593 10.146 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.460 12.138 -1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.114 12.501 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.129 9.707 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.483 10.983 -3.861 1.00 0.00 H new ATOM 715 N GLN A 47 12.133 12.583 1.063 1.00 0.00 N ATOM 716 CA GLN A 47 12.754 13.524 1.991 1.00 0.00 C ATOM 717 C GLN A 47 13.348 12.839 3.236 1.00 0.00 C ATOM 718 O GLN A 47 14.558 12.935 3.450 1.00 0.00 O ATOM 719 CB GLN A 47 11.726 14.581 2.451 1.00 0.00 C ATOM 720 CG GLN A 47 11.349 15.639 1.407 1.00 0.00 C ATOM 721 CD GLN A 47 10.293 16.593 1.974 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.590 17.527 2.717 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.025 16.366 1.690 1.00 0.00 N ATOM 0 H GLN A 47 11.136 12.461 1.241 1.00 0.00 H new ATOM 0 HA GLN A 47 13.572 13.994 1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.818 14.066 2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.123 15.089 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.235 16.201 1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.966 15.154 0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.771 15.593 1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.299 16.963 2.086 1.00 0.00 H new ATOM 732 N SER A 48 12.540 12.137 4.039 1.00 0.00 N ATOM 733 CA SER A 48 12.944 11.481 5.290 1.00 0.00 C ATOM 734 C SER A 48 13.165 9.962 5.240 1.00 0.00 C ATOM 735 O SER A 48 13.956 9.424 6.023 1.00 0.00 O ATOM 736 CB SER A 48 11.811 11.765 6.292 1.00 0.00 C ATOM 737 OG SER A 48 12.260 11.886 7.626 1.00 0.00 O ATOM 0 H SER A 48 11.551 12.005 3.829 1.00 0.00 H new ATOM 0 HA SER A 48 13.922 11.885 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.302 12.684 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.076 10.962 6.235 1.00 0.00 H new ATOM 0 HG SER A 48 11.496 12.067 8.213 1.00 0.00 H new ATOM 743 N GLY A 49 12.457 9.257 4.367 1.00 0.00 N ATOM 744 CA GLY A 49 12.538 7.807 4.234 1.00 0.00 C ATOM 745 C GLY A 49 11.452 7.143 5.080 1.00 0.00 C ATOM 746 O GLY A 49 10.698 7.809 5.801 1.00 0.00 O ATOM 0 H GLY A 49 11.797 9.685 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.421 7.522 3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.521 7.459 4.551 1.00 0.00 H new ATOM 750 N LEU A 50 11.308 5.827 4.921 1.00 0.00 N ATOM 751 CA LEU A 50 10.324 5.011 5.625 1.00 0.00 C ATOM 752 C LEU A 50 10.668 4.983 7.123 1.00 0.00 C ATOM 753 O LEU A 50 11.847 4.810 7.449 1.00 0.00 O ATOM 754 CB LEU A 50 10.332 3.617 4.996 1.00 0.00 C ATOM 755 CG LEU A 50 9.285 2.669 5.595 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.859 2.923 5.093 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.691 1.262 5.173 1.00 0.00 C ATOM 0 H LEU A 50 11.890 5.286 4.281 1.00 0.00 H new ATOM 0 HA LEU A 50 9.319 5.423 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.156 3.710 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.322 3.177 5.119 1.00 0.00 H new ATOM 0 HG LEU A 50 9.265 2.820 6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.177 2.214 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.559 3.939 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.826 2.797 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.977 0.542 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.700 1.197 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.686 1.039 5.558 1.00 0.00 H new ATOM 769 N PRO A 51 9.686 5.133 8.033 1.00 0.00 N ATOM 770 CA PRO A 51 9.925 5.156 9.464 1.00 0.00 C ATOM 771 C PRO A 51 10.175 3.779 10.049 1.00 0.00 C ATOM 772 O PRO A 51 9.657 2.765 9.573 1.00 0.00 O ATOM 773 CB PRO A 51 8.674 5.779 10.086 1.00 0.00 C ATOM 774 CG PRO A 51 7.562 5.463 9.098 1.00 0.00 C ATOM 775 CD PRO A 51 8.274 5.311 7.752 1.00 0.00 C ATOM 0 HA PRO A 51 10.829 5.727 9.678 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.465 5.355 11.068 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.791 6.854 10.222 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.035 4.549 9.373 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.821 6.262 9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.880 4.456 7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.113 6.191 7.130 1.00 0.00 H new ATOM 783 N ALA A 52 10.842 3.781 11.202 1.00 0.00 N ATOM 784 CA ALA A 52 11.196 2.589 11.955 1.00 0.00 C ATOM 785 C ALA A 52 9.988 1.741 12.390 1.00 0.00 C ATOM 786 O ALA A 52 10.151 0.579 12.752 1.00 0.00 O ATOM 787 CB ALA A 52 11.984 3.019 13.186 1.00 0.00 C ATOM 0 H ALA A 52 11.159 4.642 11.648 1.00 0.00 H new ATOM 0 HA ALA A 52 11.786 1.953 11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.260 2.139 13.767 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.886 3.546 12.875 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.370 3.680 13.798 1.00 0.00 H new ATOM 793 N LYS A 53 8.769 2.291 12.355 1.00 0.00 N ATOM 794 CA LYS A 53 7.542 1.585 12.742 1.00 0.00 C ATOM 795 C LYS A 53 6.827 0.976 11.551 1.00 0.00 C ATOM 796 O LYS A 53 5.960 0.127 11.739 1.00 0.00 O ATOM 797 CB LYS A 53 6.581 2.527 13.481 1.00 0.00 C ATOM 798 CG LYS A 53 7.268 3.350 14.567 1.00 0.00 C ATOM 799 CD LYS A 53 7.985 2.488 15.620 1.00 0.00 C ATOM 800 CE LYS A 53 7.021 1.618 16.432 1.00 0.00 C ATOM 801 NZ LYS A 53 7.767 0.797 17.403 1.00 0.00 N ATOM 0 H LYS A 53 8.605 3.251 12.053 1.00 0.00 H new ATOM 0 HA LYS A 53 7.847 0.775 13.405 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.117 3.201 12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.780 1.940 13.930 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.991 4.020 14.103 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.526 3.976 15.063 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.714 1.848 15.123 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.540 3.137 16.298 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.303 2.250 16.955 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.450 0.974 15.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.101 0.212 17.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.435 0.181 16.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.292 1.418 18.052 1.00 0.00 H new ATOM 815 N LEU A 54 7.187 1.388 10.337 1.00 0.00 N ATOM 816 CA LEU A 54 6.582 0.881 9.102 1.00 0.00 C ATOM 817 C LEU A 54 7.567 0.121 8.226 1.00 0.00 C ATOM 818 O LEU A 54 7.307 -0.076 7.041 1.00 0.00 O ATOM 819 CB LEU A 54 5.935 2.029 8.328 1.00 0.00 C ATOM 820 CG LEU A 54 4.791 2.719 9.078 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.288 3.852 8.187 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.666 1.733 9.420 1.00 0.00 C ATOM 0 H LEU A 54 7.912 2.088 10.179 1.00 0.00 H new ATOM 0 HA LEU A 54 5.816 0.162 9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.699 2.769 8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.556 1.647 7.380 1.00 0.00 H new ATOM 0 HG LEU A 54 5.145 3.112 10.031 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.470 4.371 8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.100 4.553 7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.934 3.441 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.872 2.257 9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.266 1.304 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.060 0.936 10.051 1.00 0.00 H new ATOM 834 N ARG A 55 8.664 -0.356 8.803 1.00 0.00 N ATOM 835 CA ARG A 55 9.732 -1.096 8.130 1.00 0.00 C ATOM 836 C ARG A 55 9.760 -2.582 8.511 1.00 0.00 C ATOM 837 O ARG A 55 10.822 -3.146 8.780 1.00 0.00 O ATOM 838 CB ARG A 55 11.060 -0.391 8.411 1.00 0.00 C ATOM 839 CG ARG A 55 11.416 -0.442 9.900 1.00 0.00 C ATOM 840 CD ARG A 55 12.928 -0.431 10.016 1.00 0.00 C ATOM 841 NE ARG A 55 13.412 -0.703 11.376 1.00 0.00 N ATOM 842 CZ ARG A 55 13.554 -1.926 11.899 1.00 0.00 C ATOM 843 NH1 ARG A 55 13.111 -3.007 11.255 1.00 0.00 N ATOM 844 NH2 ARG A 55 14.145 -2.055 13.081 1.00 0.00 N ATOM 0 H ARG A 55 8.844 -0.233 9.799 1.00 0.00 H new ATOM 0 HA ARG A 55 9.544 -1.094 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.853 -0.861 7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.998 0.647 8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.986 0.411 10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.004 -1.340 10.361 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.342 -1.175 9.336 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.302 0.540 9.693 1.00 0.00 H new ATOM 0 HE ARG A 55 13.657 0.095 11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.655 -2.909 10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.228 -3.931 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.482 -1.229 13.575 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.262 -2.980 13.495 1.00 0.00 H new ATOM 858 N HIS A 56 8.578 -3.175 8.656 1.00 0.00 N ATOM 859 CA HIS A 56 8.439 -4.581 8.998 1.00 0.00 C ATOM 860 C HIS A 56 9.140 -5.424 7.926 1.00 0.00 C ATOM 861 O HIS A 56 9.314 -4.994 6.787 1.00 0.00 O ATOM 862 CB HIS A 56 6.955 -4.984 9.125 1.00 0.00 C ATOM 863 CG HIS A 56 6.786 -6.319 9.808 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.966 -6.550 11.151 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.590 -7.531 9.201 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.921 -7.878 11.345 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.723 -8.523 10.181 1.00 0.00 N ATOM 0 H HIS A 56 7.689 -2.689 8.538 1.00 0.00 H new ATOM 0 HA HIS A 56 8.904 -4.759 9.968 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.419 -4.219 9.687 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.505 -5.025 8.133 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.372 -7.693 8.156 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.029 -8.362 12.304 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.679 -9.532 10.040 1.00 0.00 H new ATOM 875 N GLU A 57 9.436 -6.666 8.294 1.00 0.00 N ATOM 876 CA GLU A 57 10.101 -7.708 7.522 1.00 0.00 C ATOM 877 C GLU A 57 9.658 -7.769 6.057 1.00 0.00 C ATOM 878 O GLU A 57 10.480 -7.976 5.168 1.00 0.00 O ATOM 879 CB GLU A 57 9.765 -9.052 8.177 1.00 0.00 C ATOM 880 CG GLU A 57 10.132 -9.188 9.665 1.00 0.00 C ATOM 881 CD GLU A 57 11.549 -9.708 9.848 1.00 0.00 C ATOM 882 OE1 GLU A 57 11.731 -10.938 9.716 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.445 -8.887 10.136 1.00 0.00 O ATOM 0 H GLU A 57 9.194 -6.999 9.227 1.00 0.00 H new ATOM 0 HA GLU A 57 11.168 -7.485 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.695 -9.228 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.275 -9.841 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.034 -8.219 10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.430 -9.864 10.153 1.00 0.00 H new ATOM 890 N GLN A 58 8.351 -7.665 5.804 1.00 0.00 N ATOM 891 CA GLN A 58 7.770 -7.695 4.474 1.00 0.00 C ATOM 892 C GLN A 58 6.634 -6.698 4.452 1.00 0.00 C ATOM 893 O GLN A 58 5.829 -6.659 5.391 1.00 0.00 O ATOM 894 CB GLN A 58 7.254 -9.088 4.095 1.00 0.00 C ATOM 895 CG GLN A 58 8.335 -10.172 4.196 1.00 0.00 C ATOM 896 CD GLN A 58 8.031 -11.373 3.309 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.879 -11.745 3.089 1.00 0.00 O ATOM 898 NE2 GLN A 58 9.057 -11.961 2.726 1.00 0.00 N ATOM 0 H GLN A 58 7.656 -7.555 6.542 1.00 0.00 H new ATOM 0 HA GLN A 58 8.538 -7.440 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.421 -9.351 4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.867 -9.062 3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.299 -9.749 3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.422 -10.500 5.232 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.006 -11.640 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.902 -12.736 2.082 1.00 0.00 H new ATOM 907 N ILE A 59 6.572 -5.891 3.396 1.00 0.00 N ATOM 908 CA ILE A 59 5.546 -4.883 3.239 1.00 0.00 C ATOM 909 C ILE A 59 5.039 -4.894 1.797 1.00 0.00 C ATOM 910 O ILE A 59 5.671 -5.449 0.897 1.00 0.00 O ATOM 911 CB ILE A 59 6.047 -3.499 3.722 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.733 -2.675 2.610 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.946 -3.590 4.977 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.206 -1.307 3.105 1.00 0.00 C ATOM 0 H ILE A 59 7.239 -5.924 2.625 1.00 0.00 H new ATOM 0 HA ILE A 59 4.692 -5.114 3.876 1.00 0.00 H new ATOM 0 HB ILE A 59 5.143 -2.960 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.585 -3.233 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.038 -2.538 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.266 -2.590 5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.385 -4.044 5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.821 -4.201 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.681 -0.768 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.351 -0.736 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.923 -1.441 3.915 1.00 0.00 H new ATOM 926 N ILE A 60 3.910 -4.243 1.560 1.00 0.00 N ATOM 927 CA ILE A 60 3.271 -4.146 0.251 1.00 0.00 C ATOM 928 C ILE A 60 3.016 -2.656 -0.013 1.00 0.00 C ATOM 929 O ILE A 60 2.892 -1.880 0.937 1.00 0.00 O ATOM 930 CB ILE A 60 1.994 -5.029 0.264 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.295 -6.517 0.590 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.209 -4.997 -1.056 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.533 -6.997 1.822 1.00 0.00 C ATOM 0 H ILE A 60 3.396 -3.753 2.292 1.00 0.00 H new ATOM 0 HA ILE A 60 3.886 -4.521 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 60 1.387 -4.586 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.028 -7.137 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.365 -6.643 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.330 -5.637 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.895 -3.975 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.844 -5.357 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.773 -8.043 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.819 -6.395 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.462 -6.897 1.649 1.00 0.00 H new ATOM 945 N PHE A 61 2.978 -2.248 -1.286 1.00 0.00 N ATOM 946 CA PHE A 61 2.728 -0.878 -1.729 1.00 0.00 C ATOM 947 C PHE A 61 1.444 -0.858 -2.566 1.00 0.00 C ATOM 948 O PHE A 61 1.215 -1.783 -3.357 1.00 0.00 O ATOM 949 CB PHE A 61 3.921 -0.322 -2.538 1.00 0.00 C ATOM 950 CG PHE A 61 5.181 0.037 -1.765 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.092 0.657 -0.507 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.456 -0.206 -2.318 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.257 0.996 0.194 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.623 0.109 -1.601 1.00 0.00 C ATOM 955 CZ PHE A 61 7.516 0.729 -0.351 1.00 0.00 C ATOM 0 H PHE A 61 3.127 -2.891 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 61 2.608 -0.236 -0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.188 -1.059 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.584 0.570 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.124 0.873 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.536 -0.639 -3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.181 1.467 1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.594 -0.125 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.408 1.002 0.194 1.00 0.00 H new ATOM 965 N HIS A 62 0.588 0.150 -2.359 1.00 0.00 N ATOM 966 CA HIS A 62 -0.672 0.375 -3.073 1.00 0.00 C ATOM 967 C HIS A 62 -0.761 1.874 -3.416 1.00 0.00 C ATOM 968 O HIS A 62 -0.338 2.728 -2.630 1.00 0.00 O ATOM 969 CB HIS A 62 -1.911 -0.019 -2.233 1.00 0.00 C ATOM 970 CG HIS A 62 -2.179 -1.493 -2.013 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.278 -2.519 -2.174 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.354 -2.057 -1.574 1.00 0.00 C ATOM 973 CE1 HIS A 62 -1.885 -3.662 -1.809 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.153 -3.431 -1.451 1.00 0.00 N ATOM 0 H HIS A 62 0.765 0.865 -1.654 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.674 -0.250 -3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.816 0.453 -1.255 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.790 0.413 -2.711 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.319 -2.429 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.271 -1.528 -1.362 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.413 -4.634 -1.805 1.00 0.00 H new ATOM 982 N CYS A 63 -1.358 2.192 -4.568 1.00 0.00 N ATOM 983 CA CYS A 63 -1.588 3.536 -5.108 1.00 0.00 C ATOM 984 C CYS A 63 -3.081 3.678 -5.442 1.00 0.00 C ATOM 985 O CYS A 63 -3.785 2.672 -5.470 1.00 0.00 O ATOM 986 CB CYS A 63 -0.801 3.728 -6.410 1.00 0.00 C ATOM 987 SG CYS A 63 0.986 3.663 -6.167 1.00 0.00 S ATOM 0 H CYS A 63 -1.718 1.469 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.270 4.273 -4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.094 2.957 -7.123 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.068 4.688 -6.852 1.00 0.00 H new ATOM 0 HG CYS A 63 1.586 3.830 -7.308 1.00 0.00 H new ATOM 993 N GLN A 64 -3.570 4.885 -5.751 1.00 0.00 N ATOM 994 CA GLN A 64 -4.973 5.143 -6.105 1.00 0.00 C ATOM 995 C GLN A 64 -5.322 4.397 -7.400 1.00 0.00 C ATOM 996 O GLN A 64 -6.312 3.676 -7.466 1.00 0.00 O ATOM 997 CB GLN A 64 -5.193 6.655 -6.237 1.00 0.00 C ATOM 998 CG GLN A 64 -6.640 7.020 -6.590 1.00 0.00 C ATOM 999 CD GLN A 64 -6.788 8.533 -6.701 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.075 9.173 -7.472 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -7.691 9.135 -5.951 1.00 0.00 N ATOM 0 H GLN A 64 -2.992 5.725 -5.763 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.636 4.775 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.920 7.140 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.527 7.048 -7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.922 6.549 -7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.316 6.636 -5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.274 8.588 -5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.806 10.147 -6.005 1.00 0.00 H new ATOM 1087 N SER A 70 6.137 -0.045 -10.883 1.00 0.00 N ATOM 1088 CA SER A 70 7.500 -0.386 -11.265 1.00 0.00 C ATOM 1089 C SER A 70 8.337 0.861 -11.617 1.00 0.00 C ATOM 1090 O SER A 70 9.558 0.852 -11.479 1.00 0.00 O ATOM 1091 CB SER A 70 7.436 -1.387 -12.416 1.00 0.00 C ATOM 1092 OG SER A 70 6.714 -0.845 -13.500 1.00 0.00 O ATOM 0 HA SER A 70 8.013 -0.842 -10.418 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.445 -1.647 -12.737 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.961 -2.308 -12.079 1.00 0.00 H new ATOM 0 HG SER A 70 5.959 -0.321 -13.161 1.00 0.00 H new ATOM 1098 N ASN A 71 7.674 1.960 -11.997 1.00 0.00 N ATOM 1099 CA ASN A 71 8.273 3.235 -12.394 1.00 0.00 C ATOM 1100 C ASN A 71 9.312 3.714 -11.386 1.00 0.00 C ATOM 1101 O ASN A 71 10.439 4.039 -11.767 1.00 0.00 O ATOM 1102 CB ASN A 71 7.203 4.330 -12.557 1.00 0.00 C ATOM 1103 CG ASN A 71 6.446 4.310 -13.878 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.836 3.673 -14.853 1.00 0.00 O ATOM 1105 ND2 ASN A 71 5.366 5.069 -13.963 1.00 0.00 N ATOM 0 H ASN A 71 6.655 1.983 -12.037 1.00 0.00 H new ATOM 0 HA ASN A 71 8.763 3.056 -13.351 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.484 4.236 -11.744 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.683 5.303 -12.447 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.852 5.128 -14.842 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.047 5.595 -13.150 1.00 0.00 H new ATOM 1112 N ASN A 72 8.927 3.785 -10.109 1.00 0.00 N ATOM 1113 CA ASN A 72 9.802 4.229 -9.024 1.00 0.00 C ATOM 1114 C ASN A 72 10.261 3.047 -8.167 1.00 0.00 C ATOM 1115 O ASN A 72 11.063 3.256 -7.260 1.00 0.00 O ATOM 1116 CB ASN A 72 9.109 5.304 -8.156 1.00 0.00 C ATOM 1117 CG ASN A 72 9.080 6.694 -8.791 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.626 6.878 -9.920 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.550 7.718 -8.097 1.00 0.00 N ATOM 0 H ASN A 72 7.989 3.533 -9.798 1.00 0.00 H new ATOM 0 HA ASN A 72 10.687 4.680 -9.474 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.086 4.988 -7.953 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.621 5.366 -7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.535 8.656 -8.498 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.927 7.570 -7.161 1.00 0.00 H new ATOM 1126 N ALA A 73 9.794 1.821 -8.437 1.00 0.00 N ATOM 1127 CA ALA A 73 10.096 0.590 -7.733 1.00 0.00 C ATOM 1128 C ALA A 73 11.573 0.420 -7.445 1.00 0.00 C ATOM 1129 O ALA A 73 11.902 -0.001 -6.349 1.00 0.00 O ATOM 1130 CB ALA A 73 9.542 -0.609 -8.478 1.00 0.00 C ATOM 0 H ALA A 73 9.149 1.664 -9.211 1.00 0.00 H new ATOM 0 HA ALA A 73 9.601 0.656 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.781 -1.520 -7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.460 -0.513 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.986 -0.656 -9.472 1.00 0.00 H new ATOM 1136 N ASP A 74 12.439 0.818 -8.372 1.00 0.00 N ATOM 1137 CA ASP A 74 13.888 0.725 -8.237 1.00 0.00 C ATOM 1138 C ASP A 74 14.372 1.295 -6.897 1.00 0.00 C ATOM 1139 O ASP A 74 15.111 0.646 -6.162 1.00 0.00 O ATOM 1140 CB ASP A 74 14.526 1.459 -9.421 1.00 0.00 C ATOM 1141 CG ASP A 74 15.872 0.842 -9.762 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.911 1.499 -9.530 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.871 -0.284 -10.309 1.00 0.00 O ATOM 0 H ASP A 74 12.145 1.224 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 74 14.188 -0.323 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.866 1.409 -10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.653 2.514 -9.178 1.00 0.00 H new ATOM 1148 N LYS A 75 13.926 2.515 -6.573 1.00 0.00 N ATOM 1149 CA LYS A 75 14.268 3.221 -5.337 1.00 0.00 C ATOM 1150 C LYS A 75 13.254 2.879 -4.258 1.00 0.00 C ATOM 1151 O LYS A 75 13.624 2.779 -3.094 1.00 0.00 O ATOM 1152 CB LYS A 75 14.341 4.751 -5.494 1.00 0.00 C ATOM 1153 CG LYS A 75 14.880 5.246 -6.845 1.00 0.00 C ATOM 1154 CD LYS A 75 13.745 5.402 -7.869 1.00 0.00 C ATOM 1155 CE LYS A 75 12.971 6.703 -7.624 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.071 7.636 -8.761 1.00 0.00 N ATOM 0 H LYS A 75 13.303 3.049 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 75 15.268 2.886 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.343 5.163 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.972 5.152 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.386 6.202 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.622 4.543 -7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.156 5.402 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.067 4.551 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.922 6.470 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.353 7.187 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.532 8.500 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.069 7.881 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.682 7.186 -9.614 1.00 0.00 H new ATOM 1170 N LEU A 76 11.979 2.672 -4.616 1.00 0.00 N ATOM 1171 CA LEU A 76 10.949 2.313 -3.627 1.00 0.00 C ATOM 1172 C LEU A 76 11.407 1.070 -2.860 1.00 0.00 C ATOM 1173 O LEU A 76 11.288 1.028 -1.634 1.00 0.00 O ATOM 1174 CB LEU A 76 9.578 2.016 -4.255 1.00 0.00 C ATOM 1175 CG LEU A 76 8.818 3.216 -4.843 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.601 2.776 -5.678 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.321 4.077 -3.691 1.00 0.00 C ATOM 0 H LEU A 76 11.637 2.746 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 76 10.828 3.175 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.718 1.280 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.948 1.552 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 76 9.498 3.763 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.094 3.656 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.934 2.147 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.912 2.213 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.778 4.936 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.658 3.489 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.171 4.424 -3.103 1.00 0.00 H new ATOM 1189 N ALA A 77 11.942 0.086 -3.590 1.00 0.00 N ATOM 1190 CA ALA A 77 12.467 -1.170 -3.056 1.00 0.00 C ATOM 1191 C ALA A 77 13.644 -0.936 -2.104 1.00 0.00 C ATOM 1192 O ALA A 77 13.882 -1.760 -1.224 1.00 0.00 O ATOM 1193 CB ALA A 77 12.950 -2.053 -4.203 1.00 0.00 C ATOM 0 H ALA A 77 12.023 0.147 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 77 11.659 -1.652 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.341 -2.988 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.118 -2.265 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.737 -1.537 -4.753 1.00 0.00 H new ATOM 1199 N ALA A 78 14.432 0.123 -2.320 1.00 0.00 N ATOM 1200 CA ALA A 78 15.573 0.483 -1.490 1.00 0.00 C ATOM 1201 C ALA A 78 15.066 1.169 -0.228 1.00 0.00 C ATOM 1202 O ALA A 78 15.480 0.793 0.864 1.00 0.00 O ATOM 1203 CB ALA A 78 16.533 1.385 -2.269 1.00 0.00 C ATOM 0 H ALA A 78 14.285 0.766 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 78 16.126 -0.413 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.381 1.646 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.889 0.858 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.013 2.294 -2.572 1.00 0.00 H new ATOM 1209 N ILE A 79 14.138 2.121 -0.366 1.00 0.00 N ATOM 1210 CA ILE A 79 13.540 2.858 0.743 1.00 0.00 C ATOM 1211 C ILE A 79 12.940 1.864 1.746 1.00 0.00 C ATOM 1212 O ILE A 79 13.066 2.061 2.955 1.00 0.00 O ATOM 1213 CB ILE A 79 12.521 3.890 0.192 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.250 5.091 -0.447 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.578 4.416 1.290 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.370 5.908 -1.403 1.00 0.00 C ATOM 0 H ILE A 79 13.775 2.405 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 79 14.291 3.432 1.286 1.00 0.00 H new ATOM 0 HB ILE A 79 11.928 3.368 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.617 5.745 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.122 4.728 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.882 5.135 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.020 3.584 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.164 4.901 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.949 6.735 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.024 5.269 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.511 6.301 -0.860 1.00 0.00 H new ATOM 1228 N ALA A 80 12.293 0.801 1.263 1.00 0.00 N ATOM 1229 CA ALA A 80 11.698 -0.200 2.132 1.00 0.00 C ATOM 1230 C ALA A 80 12.722 -1.193 2.694 1.00 0.00 C ATOM 1231 O ALA A 80 12.534 -1.681 3.809 1.00 0.00 O ATOM 1232 CB ALA A 80 10.608 -0.926 1.350 1.00 0.00 C ATOM 0 H ALA A 80 12.171 0.616 0.267 1.00 0.00 H new ATOM 0 HA ALA A 80 11.275 0.307 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.148 -1.683 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.850 -0.210 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.046 -1.405 0.474 1.00 0.00 H new ATOM 1238 N ALA A 81 13.791 -1.500 1.954 1.00 0.00 N ATOM 1239 CA ALA A 81 14.813 -2.443 2.388 1.00 0.00 C ATOM 1240 C ALA A 81 15.535 -1.988 3.668 1.00 0.00 C ATOM 1241 O ALA A 81 15.647 -0.779 3.907 1.00 0.00 O ATOM 1242 CB ALA A 81 15.832 -2.636 1.258 1.00 0.00 C ATOM 0 H ALA A 81 13.968 -1.097 1.034 1.00 0.00 H new ATOM 0 HA ALA A 81 14.315 -3.384 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.600 -3.341 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.326 -3.025 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.295 -1.679 1.018 1.00 0.00 H new ATOM 1248 N PRO A 82 16.113 -2.919 4.455 1.00 0.00 N ATOM 1249 CA PRO A 82 16.139 -4.374 4.275 1.00 0.00 C ATOM 1250 C PRO A 82 14.818 -5.005 4.741 1.00 0.00 C ATOM 1251 O PRO A 82 14.495 -4.972 5.928 1.00 0.00 O ATOM 1252 CB PRO A 82 17.327 -4.856 5.106 1.00 0.00 C ATOM 1253 CG PRO A 82 17.405 -3.845 6.243 1.00 0.00 C ATOM 1254 CD PRO A 82 16.910 -2.548 5.612 1.00 0.00 C ATOM 0 HA PRO A 82 16.247 -4.661 3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.170 -5.868 5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.246 -4.871 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.782 -4.143 7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.423 -3.744 6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.315 -1.975 6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.749 -1.917 5.317 1.00 0.00 H new ATOM 1262 N ALA A 83 14.043 -5.524 3.789 1.00 0.00 N ATOM 1263 CA ALA A 83 12.742 -6.175 3.915 1.00 0.00 C ATOM 1264 C ALA A 83 12.292 -6.530 2.488 1.00 0.00 C ATOM 1265 O ALA A 83 12.985 -6.188 1.516 1.00 0.00 O ATOM 1266 CB ALA A 83 11.738 -5.215 4.586 1.00 0.00 C ATOM 0 H ALA A 83 14.342 -5.495 2.814 1.00 0.00 H new ATOM 0 HA ALA A 83 12.798 -7.070 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.770 -5.707 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.101 -4.943 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.633 -4.316 3.979 1.00 0.00 H new ATOM 1272 N GLU A 84 11.131 -7.158 2.323 1.00 0.00 N ATOM 1273 CA GLU A 84 10.571 -7.524 1.023 1.00 0.00 C ATOM 1274 C GLU A 84 9.455 -6.536 0.675 1.00 0.00 C ATOM 1275 O GLU A 84 8.801 -5.996 1.569 1.00 0.00 O ATOM 1276 CB GLU A 84 10.072 -8.973 1.004 1.00 0.00 C ATOM 1277 CG GLU A 84 11.195 -10.002 0.816 1.00 0.00 C ATOM 1278 CD GLU A 84 12.105 -10.167 2.036 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.164 -9.495 2.096 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.822 -11.047 2.883 1.00 0.00 O ATOM 0 H GLU A 84 10.539 -7.433 3.107 1.00 0.00 H new ATOM 0 HA GLU A 84 11.354 -7.466 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.550 -9.182 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.345 -9.089 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.751 -10.968 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.803 -9.708 -0.040 1.00 0.00 H new ATOM 1287 N ILE A 85 9.235 -6.326 -0.625 1.00 0.00 N ATOM 1288 CA ILE A 85 8.249 -5.422 -1.191 1.00 0.00 C ATOM 1289 C ILE A 85 7.433 -6.165 -2.248 1.00 0.00 C ATOM 1290 O ILE A 85 7.971 -7.002 -2.974 1.00 0.00 O ATOM 1291 CB ILE A 85 8.909 -4.145 -1.760 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.287 -4.342 -2.424 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.920 -3.048 -0.686 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.494 -4.330 -1.483 1.00 0.00 C ATOM 0 H ILE A 85 9.772 -6.811 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 85 7.575 -5.089 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 85 8.286 -3.831 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.278 -5.292 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.424 -3.558 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.386 -2.149 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.897 -2.823 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.485 -3.392 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.407 -4.477 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.542 -3.372 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.394 -5.132 -0.752 1.00 0.00 H new ATOM 1306 N PHE A 86 6.140 -5.849 -2.331 1.00 0.00 N ATOM 1307 CA PHE A 86 5.177 -6.439 -3.255 1.00 0.00 C ATOM 1308 C PHE A 86 4.330 -5.307 -3.827 1.00 0.00 C ATOM 1309 O PHE A 86 3.846 -4.456 -3.071 1.00 0.00 O ATOM 1310 CB PHE A 86 4.328 -7.496 -2.538 1.00 0.00 C ATOM 1311 CG PHE A 86 5.146 -8.652 -1.992 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.664 -8.601 -0.685 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.455 -9.747 -2.819 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.536 -9.604 -0.230 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.319 -10.758 -2.361 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.880 -10.672 -1.076 1.00 0.00 C ATOM 0 H PHE A 86 5.719 -5.143 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 86 5.682 -6.954 -4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.787 -7.023 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.581 -7.884 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.390 -7.788 -0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.028 -9.812 -3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.942 -9.554 0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.551 -11.600 -2.997 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.575 -11.426 -0.738 1.00 0.00 H new ATOM 1326 N LEU A 87 4.218 -5.227 -5.150 1.00 0.00 N ATOM 1327 CA LEU A 87 3.466 -4.192 -5.844 1.00 0.00 C ATOM 1328 C LEU A 87 2.096 -4.750 -6.221 1.00 0.00 C ATOM 1329 O LEU A 87 2.020 -5.797 -6.865 1.00 0.00 O ATOM 1330 CB LEU A 87 4.218 -3.761 -7.121 1.00 0.00 C ATOM 1331 CG LEU A 87 5.666 -3.251 -6.961 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.297 -3.126 -8.355 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.775 -1.903 -6.227 1.00 0.00 C ATOM 0 H LEU A 87 4.658 -5.896 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 87 3.350 -3.325 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.235 -4.611 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.637 -2.975 -7.604 1.00 0.00 H new ATOM 0 HG LEU A 87 6.194 -3.977 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.322 -2.766 -8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.299 -4.101 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.720 -2.422 -8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.823 -1.612 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.225 -1.142 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.355 -1.999 -5.226 1.00 0.00 H new ATOM 1345 N LEU A 88 1.015 -4.079 -5.821 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.337 -4.517 -6.158 1.00 0.00 C ATOM 1347 C LEU A 88 -0.563 -4.134 -7.621 1.00 0.00 C ATOM 1348 O LEU A 88 -0.934 -2.993 -7.918 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.346 -3.862 -5.213 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.804 -4.269 -5.498 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.214 -5.560 -4.790 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.763 -3.182 -5.030 1.00 0.00 C ATOM 0 H LEU A 88 1.052 -3.227 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.467 -5.593 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.096 -4.128 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.257 -2.779 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.859 -4.419 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.251 -5.793 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.572 -6.376 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.111 -5.432 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.788 -3.487 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.642 -3.027 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.546 -2.253 -5.557 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.329 -5.075 -8.537 1.00 0.00 N ATOM 1365 CA GLU A 89 -0.465 -4.876 -9.966 1.00 0.00 C ATOM 1366 C GLU A 89 -1.902 -4.677 -10.455 1.00 0.00 C ATOM 1367 O GLU A 89 -2.076 -4.127 -11.541 1.00 0.00 O ATOM 1368 CB GLU A 89 0.248 -6.017 -10.695 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.441 -7.387 -10.645 1.00 0.00 C ATOM 1370 CD GLU A 89 0.333 -8.450 -11.436 1.00 0.00 C ATOM 1371 OE1 GLU A 89 0.876 -8.131 -12.524 1.00 0.00 O ATOM 1372 OE2 GLU A 89 0.399 -9.610 -10.966 1.00 0.00 O ATOM 0 H GLU A 89 -0.032 -6.019 -8.290 1.00 0.00 H new ATOM 0 HA GLU A 89 0.013 -3.926 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.370 -5.733 -11.740 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.248 -6.121 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.538 -7.706 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.450 -7.300 -11.047 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.917 -5.084 -9.685 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.329 -4.938 -10.066 1.00 0.00 C ATOM 1381 C ASP A 90 -4.858 -3.521 -9.794 1.00 0.00 C ATOM 1382 O ASP A 90 -5.643 -2.972 -10.577 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.185 -5.970 -9.323 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.648 -5.877 -9.763 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -6.924 -5.975 -10.987 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -7.531 -5.704 -8.899 1.00 0.00 O ATOM 0 H ASP A 90 -2.783 -5.526 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.397 -5.112 -11.140 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.805 -6.973 -9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.112 -5.804 -8.248 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.358 -2.898 -8.729 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.717 -1.563 -8.278 1.00 0.00 C ATOM 1393 C GLY A 91 -5.653 -1.634 -7.072 1.00 0.00 C ATOM 1394 O GLY A 91 -6.447 -2.566 -6.963 1.00 0.00 O ATOM 0 H GLY A 91 -3.657 -3.335 -8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.817 -1.009 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.201 -1.018 -9.088 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.580 -0.649 -6.162 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.397 -0.590 -4.945 1.00 0.00 C ATOM 1400 C ILE A 92 -7.884 -0.684 -5.250 1.00 0.00 C ATOM 1401 O ILE A 92 -8.637 -1.170 -4.419 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.048 0.659 -4.117 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -6.444 0.480 -2.638 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -6.582 1.960 -4.729 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.787 1.086 -2.209 1.00 0.00 C ATOM 0 H ILE A 92 -4.940 0.140 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.158 -1.464 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.963 0.763 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.466 -0.587 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.660 0.917 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.301 2.802 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.157 2.096 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.668 1.908 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.951 0.893 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.773 2.162 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.592 0.634 -2.789 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.318 -0.274 -6.441 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.729 -0.364 -6.818 1.00 0.00 C ATOM 1419 C ASP A 93 -10.244 -1.815 -6.673 1.00 0.00 C ATOM 1420 O ASP A 93 -11.427 -2.042 -6.405 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.889 0.174 -8.234 1.00 0.00 C ATOM 1422 CG ASP A 93 -11.357 0.342 -8.602 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -11.965 1.353 -8.190 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -11.900 -0.474 -9.373 1.00 0.00 O ATOM 0 H ASP A 93 -7.714 0.123 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.339 0.242 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.379 1.133 -8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.411 -0.506 -8.939 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.361 -2.817 -6.797 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.689 -4.231 -6.644 1.00 0.00 C ATOM 1431 C GLY A 94 -10.138 -4.515 -5.205 1.00 0.00 C ATOM 1432 O GLY A 94 -11.011 -5.352 -4.989 1.00 0.00 O ATOM 0 H GLY A 94 -8.377 -2.656 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.480 -4.506 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.821 -4.842 -6.890 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.604 -3.777 -4.219 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.914 -3.877 -2.790 1.00 0.00 C ATOM 1438 C TRP A 95 -11.425 -3.695 -2.577 1.00 0.00 C ATOM 1439 O TRP A 95 -12.030 -4.290 -1.677 1.00 0.00 O ATOM 1440 CB TRP A 95 -9.133 -2.804 -2.013 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.953 -3.073 -0.556 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.788 -2.701 0.440 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.851 -3.780 0.081 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.303 -3.165 1.647 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -8.124 -3.871 1.479 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.638 -4.331 -0.388 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -7.260 -4.540 2.361 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.751 -4.973 0.499 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -6.065 -5.089 1.866 1.00 0.00 C ATOM 0 H TRP A 95 -8.908 -3.057 -4.411 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.621 -4.860 -2.422 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -8.149 -2.693 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.647 -1.850 -2.128 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.695 -2.129 0.312 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.756 -3.008 2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.388 -4.260 -1.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.511 -4.631 3.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.822 -5.379 0.127 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.388 -5.600 2.534 1.00 0.00 H new ATOM 1460 N LYS A 96 -12.054 -2.831 -3.388 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.490 -2.579 -3.301 1.00 0.00 C ATOM 1462 C LYS A 96 -14.261 -3.722 -3.934 1.00 0.00 C ATOM 1463 O LYS A 96 -15.308 -4.099 -3.410 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.885 -1.240 -3.933 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.234 -0.070 -3.181 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.813 1.292 -3.589 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.202 1.518 -2.966 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.776 2.823 -3.359 1.00 0.00 N ATOM 0 H LYS A 96 -11.581 -2.294 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.748 -2.517 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.579 -1.222 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.969 -1.131 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.370 -0.212 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.160 -0.075 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.137 2.086 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.886 1.348 -4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.874 0.718 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.126 1.467 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.711 2.937 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.148 3.588 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.873 2.862 -4.394 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.763 -4.279 -5.040 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.416 -5.396 -5.713 1.00 0.00 C ATOM 1484 C LYS A 97 -14.438 -6.589 -4.765 1.00 0.00 C ATOM 1485 O LYS A 97 -15.496 -7.167 -4.523 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.718 -5.705 -7.048 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.705 -6.252 -8.085 1.00 0.00 C ATOM 1488 CD LYS A 97 -15.649 -5.155 -8.609 1.00 0.00 C ATOM 1489 CE LYS A 97 -16.721 -5.741 -9.528 1.00 0.00 C ATOM 1490 NZ LYS A 97 -17.637 -4.703 -10.032 1.00 0.00 N ATOM 0 H LYS A 97 -12.901 -3.969 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.446 -5.143 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.249 -4.799 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.922 -6.431 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.153 -6.686 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.292 -7.055 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.124 -4.648 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.073 -4.404 -9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.243 -6.244 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.290 -6.496 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.349 -5.140 -10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.112 -4.240 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.097 -3.995 -10.570 1.00 0.00 H new ATOM 1504 N ALA A 98 -13.291 -6.892 -4.156 1.00 0.00 N ATOM 1505 CA ALA A 98 -13.127 -7.979 -3.204 1.00 0.00 C ATOM 1506 C ALA A 98 -14.016 -7.776 -1.964 1.00 0.00 C ATOM 1507 O ALA A 98 -14.285 -8.729 -1.235 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.647 -8.047 -2.819 1.00 0.00 C ATOM 0 H ALA A 98 -12.430 -6.371 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.439 -8.920 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.494 -8.855 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -11.047 -8.232 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.345 -7.102 -2.368 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.500 -6.554 -1.712 1.00 0.00 N ATOM 1515 CA GLY A 99 -15.360 -6.239 -0.579 1.00 0.00 C ATOM 1516 C GLY A 99 -14.588 -6.198 0.736 1.00 0.00 C ATOM 1517 O GLY A 99 -15.167 -6.429 1.800 1.00 0.00 O ATOM 0 H GLY A 99 -14.298 -5.747 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.840 -5.275 -0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.154 -6.983 -0.509 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.274 -5.966 0.680 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.447 -5.909 1.884 1.00 0.00 C ATOM 1523 C LEU A 100 -12.839 -4.661 2.694 1.00 0.00 C ATOM 1524 O LEU A 100 -13.431 -3.731 2.137 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.967 -5.945 1.494 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.477 -7.311 0.979 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -9.087 -7.151 0.364 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.414 -8.358 2.098 1.00 0.00 C ATOM 0 H LEU A 100 -12.761 -5.815 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.616 -6.776 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.789 -5.195 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.369 -5.661 2.360 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.191 -7.660 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.737 -8.117 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.135 -6.445 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.396 -6.777 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.064 -9.306 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.727 -8.021 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.407 -8.493 2.527 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.514 -4.581 3.991 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.884 -3.432 4.803 1.00 0.00 C ATOM 1542 C PRO A 101 -12.119 -2.161 4.420 1.00 0.00 C ATOM 1543 O PRO A 101 -11.040 -2.197 3.813 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.608 -3.856 6.250 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.495 -4.892 6.113 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.823 -5.581 4.789 1.00 0.00 C ATOM 0 HA PRO A 101 -13.930 -3.167 4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.296 -3.011 6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.495 -4.280 6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.510 -4.425 6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.495 -5.596 6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.917 -5.924 4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.450 -6.458 4.948 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.695 -1.025 4.813 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.184 0.323 4.613 1.00 0.00 C ATOM 1556 C VAL A 102 -12.318 1.053 5.952 1.00 0.00 C ATOM 1557 O VAL A 102 -13.202 0.766 6.766 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.871 1.079 3.460 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -12.303 0.690 2.094 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.386 0.893 3.451 1.00 0.00 C ATOM 0 H VAL A 102 -13.586 -1.026 5.310 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.140 0.274 4.302 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.658 2.132 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.819 1.249 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.238 0.922 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.447 -0.378 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.816 1.448 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.622 -0.166 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.804 1.263 4.387 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.414 1.997 6.165 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.257 2.852 7.333 1.00 0.00 C ATOM 1572 C ALA A 103 -12.160 4.085 7.264 1.00 0.00 C ATOM 1573 O ALA A 103 -11.765 5.195 7.620 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.778 3.219 7.457 1.00 0.00 C ATOM 0 H ALA A 103 -10.706 2.203 5.460 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.572 2.316 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.634 3.861 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.186 2.311 7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.458 3.747 6.559 1.00 0.00 H new