USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 935 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 33 THR OG1 : rot 80:sc= 0.382 USER MOD Set 1.2: A 67 MET CE :methyl -165:sc= 0 (180deg=-0.407) USER MOD Set 1.3: A 86 THR OG1 : rot -31:sc= -2.01! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -105:sc= -0.0787 (180deg=-1.82!) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.1 (180deg=-0.517) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.22 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0975 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -25:sc= 0.00135 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.012 (180deg=-0.16) USER MOD Single : A 43 SER OG : rot 64:sc= 1.25 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.00268 K(o=0.0027,f=-2.7!) USER MOD Single : A 59 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0.047) USER MOD Single : A 62 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.2) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0.859 (180deg=0.845) USER MOD Single : A 65 MET CE :methyl -163:sc= -0.057 (180deg=-0.421) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc=-0.000818 (180deg=-0.126) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -173:sc= -0.341 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.325 K(o=-0.33,f=-12!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 130:sc= -0.0544 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 11.753 -0.094 8.945 1.00 0.00 N ATOM 51 CA GLY A 5 11.337 0.930 8.013 1.00 0.00 C ATOM 52 C GLY A 5 9.835 1.126 8.003 1.00 0.00 C ATOM 53 O GLY A 5 9.205 1.212 9.059 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.822 1.871 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.673 0.663 7.011 1.00 0.00 H new ATOM 57 N ILE A 6 9.274 1.214 6.808 1.00 0.00 N ATOM 58 CA ILE A 6 7.835 1.354 6.627 1.00 0.00 C ATOM 59 C ILE A 6 7.087 0.174 7.242 1.00 0.00 C ATOM 60 O ILE A 6 7.328 -0.981 6.890 1.00 0.00 O ATOM 61 CB ILE A 6 7.461 1.456 5.131 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.142 2.664 4.488 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.952 1.546 4.961 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.906 2.770 2.997 1.00 0.00 C ATOM 0 H ILE A 6 9.802 1.191 5.935 1.00 0.00 H new ATOM 0 HA ILE A 6 7.542 2.274 7.132 1.00 0.00 H new ATOM 0 HB ILE A 6 7.812 0.554 4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.782 3.573 4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.214 2.608 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.709 1.617 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.485 0.656 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.580 2.430 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.419 3.650 2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.292 1.878 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.837 2.858 2.803 1.00 0.00 H new ATOM 76 N ALA A 7 6.189 0.473 8.166 1.00 0.00 N ATOM 77 CA ALA A 7 5.338 -0.541 8.758 1.00 0.00 C ATOM 78 C ALA A 7 3.881 -0.241 8.440 1.00 0.00 C ATOM 79 O ALA A 7 3.379 0.837 8.762 1.00 0.00 O ATOM 80 CB ALA A 7 5.558 -0.615 10.263 1.00 0.00 C ATOM 0 H ALA A 7 6.032 1.416 8.523 1.00 0.00 H new ATOM 0 HA ALA A 7 5.597 -1.511 8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.910 -1.382 10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.599 -0.866 10.467 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.322 0.349 10.713 1.00 0.00 H new ATOM 86 N PHE A 8 3.214 -1.178 7.784 1.00 0.00 N ATOM 87 CA PHE A 8 1.825 -0.997 7.418 1.00 0.00 C ATOM 88 C PHE A 8 0.929 -1.284 8.615 1.00 0.00 C ATOM 89 O PHE A 8 0.986 -2.365 9.200 1.00 0.00 O ATOM 90 CB PHE A 8 1.477 -1.907 6.241 1.00 0.00 C ATOM 91 CG PHE A 8 2.294 -1.630 5.010 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.075 -0.487 4.263 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.284 -2.510 4.605 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.824 -0.224 3.134 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.038 -2.253 3.476 1.00 0.00 C ATOM 96 CZ PHE A 8 3.807 -1.109 2.740 1.00 0.00 C ATOM 0 H PHE A 8 3.615 -2.070 7.496 1.00 0.00 H new ATOM 0 HA PHE A 8 1.662 0.037 7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.623 -2.945 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.420 -1.790 6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.307 0.209 4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.469 -3.407 5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.641 0.672 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.807 -2.947 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.395 -0.906 1.857 1.00 0.00 H new ATOM 106 N ARG A 9 0.108 -0.311 8.979 1.00 0.00 N ATOM 107 CA ARG A 9 -0.685 -0.397 10.197 1.00 0.00 C ATOM 108 C ARG A 9 -2.004 -1.109 9.927 1.00 0.00 C ATOM 109 O ARG A 9 -2.560 -1.013 8.834 1.00 0.00 O ATOM 110 CB ARG A 9 -0.922 1.009 10.756 1.00 0.00 C ATOM 111 CG ARG A 9 0.349 1.848 10.789 1.00 0.00 C ATOM 112 CD ARG A 9 0.182 3.135 11.581 1.00 0.00 C ATOM 113 NE ARG A 9 -0.914 3.968 11.095 1.00 0.00 N ATOM 114 CZ ARG A 9 -0.742 5.136 10.473 1.00 0.00 C ATOM 115 NH1 ARG A 9 0.474 5.543 10.131 1.00 0.00 N ATOM 116 NH2 ARG A 9 -1.789 5.895 10.181 1.00 0.00 N ATOM 0 H ARG A 9 -0.027 0.549 8.448 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.140 -0.980 10.939 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.672 1.516 10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.328 0.931 11.765 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.156 1.260 11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.646 2.090 9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.007 2.890 12.629 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.110 3.705 11.537 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.868 3.638 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.285 4.962 10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.598 6.437 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.728 5.587 10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.655 6.787 9.706 1.00 0.00 H new ATOM 130 N GLU A 10 -2.494 -1.836 10.917 1.00 0.00 N ATOM 131 CA GLU A 10 -3.691 -2.645 10.748 1.00 0.00 C ATOM 132 C GLU A 10 -4.906 -1.951 11.347 1.00 0.00 C ATOM 133 O GLU A 10 -5.058 -1.884 12.567 1.00 0.00 O ATOM 134 CB GLU A 10 -3.498 -4.019 11.395 1.00 0.00 C ATOM 135 CG GLU A 10 -2.278 -4.758 10.876 1.00 0.00 C ATOM 136 CD GLU A 10 -2.155 -6.157 11.438 1.00 0.00 C ATOM 137 OE1 GLU A 10 -1.714 -6.304 12.598 1.00 0.00 O ATOM 138 OE2 GLU A 10 -2.491 -7.123 10.720 1.00 0.00 O ATOM 0 H GLU A 10 -2.081 -1.883 11.848 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.864 -2.776 9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.408 -3.896 12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.386 -4.626 11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.327 -4.812 9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.382 -4.191 11.127 1.00 0.00 H new ATOM 145 N LEU A 11 -5.751 -1.411 10.480 1.00 0.00 N ATOM 146 CA LEU A 11 -6.975 -0.759 10.888 1.00 0.00 C ATOM 147 C LEU A 11 -8.150 -1.309 10.090 1.00 0.00 C ATOM 148 O LEU A 11 -7.959 -1.901 9.028 1.00 0.00 O ATOM 149 CB LEU A 11 -6.866 0.748 10.661 1.00 0.00 C ATOM 150 CG LEU A 11 -5.929 1.497 11.611 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.861 2.969 11.232 1.00 0.00 C ATOM 152 CD2 LEU A 11 -6.391 1.339 13.053 1.00 0.00 C ATOM 0 H LEU A 11 -5.601 -1.416 9.471 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.138 -0.952 11.948 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.529 0.919 9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.862 1.182 10.746 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.931 1.068 11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.191 3.490 11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.486 3.065 10.213 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.857 3.407 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.712 1.878 13.714 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.398 1.743 13.159 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.394 0.282 13.320 1.00 0.00 H new ATOM 164 N SER A 12 -9.357 -1.118 10.599 1.00 0.00 N ATOM 165 CA SER A 12 -10.558 -1.531 9.891 1.00 0.00 C ATOM 166 C SER A 12 -10.827 -0.568 8.733 1.00 0.00 C ATOM 167 O SER A 12 -10.360 0.571 8.758 1.00 0.00 O ATOM 168 CB SER A 12 -11.738 -1.551 10.863 1.00 0.00 C ATOM 169 OG SER A 12 -11.359 -2.143 12.097 1.00 0.00 O ATOM 0 H SER A 12 -9.531 -0.678 11.503 1.00 0.00 H new ATOM 0 HA SER A 12 -10.423 -2.533 9.484 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.092 -0.534 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.567 -2.108 10.426 1.00 0.00 H new ATOM 0 HG SER A 12 -12.126 -2.146 12.708 1.00 0.00 H new ATOM 175 N PHE A 13 -11.577 -1.025 7.735 1.00 0.00 N ATOM 176 CA PHE A 13 -11.830 -0.236 6.523 1.00 0.00 C ATOM 177 C PHE A 13 -12.406 1.157 6.855 1.00 0.00 C ATOM 178 O PHE A 13 -11.819 2.168 6.455 1.00 0.00 O ATOM 179 CB PHE A 13 -12.741 -1.029 5.564 1.00 0.00 C ATOM 180 CG PHE A 13 -12.944 -0.404 4.208 1.00 0.00 C ATOM 181 CD1 PHE A 13 -13.928 0.552 4.006 1.00 0.00 C ATOM 182 CD2 PHE A 13 -12.163 -0.793 3.130 1.00 0.00 C ATOM 183 CE1 PHE A 13 -14.124 1.111 2.757 1.00 0.00 C ATOM 184 CE2 PHE A 13 -12.359 -0.239 1.878 1.00 0.00 C ATOM 185 CZ PHE A 13 -13.340 0.713 1.692 1.00 0.00 C ATOM 0 H PHE A 13 -12.024 -1.942 7.737 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.880 -0.057 6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -12.319 -2.025 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.715 -1.157 6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -14.548 0.863 4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.393 -1.537 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.890 1.859 2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -11.745 -0.551 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.495 1.146 0.715 1.00 0.00 H new ATOM 195 N PRO A 14 -13.543 1.253 7.592 1.00 0.00 N ATOM 196 CA PRO A 14 -14.070 2.551 8.044 1.00 0.00 C ATOM 197 C PRO A 14 -13.069 3.322 8.900 1.00 0.00 C ATOM 198 O PRO A 14 -12.878 4.525 8.720 1.00 0.00 O ATOM 199 CB PRO A 14 -15.290 2.187 8.893 1.00 0.00 C ATOM 200 CG PRO A 14 -15.678 0.820 8.462 1.00 0.00 C ATOM 201 CD PRO A 14 -14.417 0.137 8.012 1.00 0.00 C ATOM 0 HA PRO A 14 -14.297 3.196 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.050 2.210 9.956 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.104 2.895 8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.143 0.273 9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.406 0.861 7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.967 -0.443 8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.607 -0.553 7.190 1.00 0.00 H new ATOM 209 N GLU A 15 -12.441 2.613 9.831 1.00 0.00 N ATOM 210 CA GLU A 15 -11.495 3.214 10.764 1.00 0.00 C ATOM 211 C GLU A 15 -10.343 3.898 10.043 1.00 0.00 C ATOM 212 O GLU A 15 -10.043 5.058 10.307 1.00 0.00 O ATOM 213 CB GLU A 15 -10.943 2.152 11.714 1.00 0.00 C ATOM 214 CG GLU A 15 -11.950 1.669 12.745 1.00 0.00 C ATOM 215 CD GLU A 15 -12.355 2.759 13.717 1.00 0.00 C ATOM 216 OE1 GLU A 15 -13.230 3.580 13.373 1.00 0.00 O ATOM 217 OE2 GLU A 15 -11.799 2.798 14.835 1.00 0.00 O ATOM 0 H GLU A 15 -12.572 1.610 9.960 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.036 3.972 11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.598 1.299 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.073 2.557 12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.837 1.295 12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.525 0.832 13.299 1.00 0.00 H new ATOM 224 N ALA A 16 -9.707 3.177 9.130 1.00 0.00 N ATOM 225 CA ALA A 16 -8.547 3.695 8.424 1.00 0.00 C ATOM 226 C ALA A 16 -8.917 4.905 7.574 1.00 0.00 C ATOM 227 O ALA A 16 -8.166 5.878 7.502 1.00 0.00 O ATOM 228 CB ALA A 16 -7.924 2.608 7.566 1.00 0.00 C ATOM 0 H ALA A 16 -9.976 2.231 8.862 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.815 4.018 9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.056 3.010 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.613 1.778 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.655 2.255 6.838 1.00 0.00 H new ATOM 234 N LEU A 17 -10.082 4.837 6.939 1.00 0.00 N ATOM 235 CA LEU A 17 -10.580 5.940 6.123 1.00 0.00 C ATOM 236 C LEU A 17 -10.737 7.192 6.973 1.00 0.00 C ATOM 237 O LEU A 17 -10.237 8.267 6.629 1.00 0.00 O ATOM 238 CB LEU A 17 -11.932 5.567 5.504 1.00 0.00 C ATOM 239 CG LEU A 17 -12.501 6.583 4.511 1.00 0.00 C ATOM 240 CD1 LEU A 17 -11.595 6.711 3.298 1.00 0.00 C ATOM 241 CD2 LEU A 17 -13.909 6.188 4.091 1.00 0.00 C ATOM 0 H LEU A 17 -10.701 4.027 6.974 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.862 6.136 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.828 4.608 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.654 5.426 6.308 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.550 7.554 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.017 7.438 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.607 7.044 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.511 5.743 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.297 6.922 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.886 5.206 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.554 6.152 4.969 1.00 0.00 H new ATOM 253 N LYS A 18 -11.440 7.025 8.082 1.00 0.00 N ATOM 254 CA LYS A 18 -11.668 8.099 9.044 1.00 0.00 C ATOM 255 C LYS A 18 -10.341 8.647 9.573 1.00 0.00 C ATOM 256 O LYS A 18 -10.146 9.860 9.658 1.00 0.00 O ATOM 257 CB LYS A 18 -12.526 7.564 10.197 1.00 0.00 C ATOM 258 CG LYS A 18 -12.841 8.581 11.283 1.00 0.00 C ATOM 259 CD LYS A 18 -13.587 9.789 10.733 1.00 0.00 C ATOM 260 CE LYS A 18 -14.232 10.607 11.842 1.00 0.00 C ATOM 261 NZ LYS A 18 -13.268 10.960 12.918 1.00 0.00 N ATOM 0 H LYS A 18 -11.871 6.139 8.344 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.191 8.918 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.464 7.187 9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.012 6.716 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.441 8.107 12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.914 8.910 11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.896 10.418 10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.354 9.455 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.652 11.520 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.061 10.044 12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.448 10.367 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.297 10.798 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.384 11.962 13.173 1.00 0.00 H new ATOM 275 N ARG A 19 -9.432 7.739 9.903 1.00 0.00 N ATOM 276 CA ARG A 19 -8.139 8.079 10.444 1.00 0.00 C ATOM 277 C ARG A 19 -7.325 8.915 9.449 1.00 0.00 C ATOM 278 O ARG A 19 -6.784 9.966 9.802 1.00 0.00 O ATOM 279 CB ARG A 19 -7.419 6.776 10.779 1.00 0.00 C ATOM 280 CG ARG A 19 -6.178 6.970 11.589 1.00 0.00 C ATOM 281 CD ARG A 19 -6.499 7.387 13.012 1.00 0.00 C ATOM 282 NE ARG A 19 -7.555 6.568 13.611 1.00 0.00 N ATOM 283 CZ ARG A 19 -7.351 5.660 14.564 1.00 0.00 C ATOM 284 NH1 ARG A 19 -6.127 5.411 15.002 1.00 0.00 N ATOM 285 NH2 ARG A 19 -8.375 4.999 15.081 1.00 0.00 N ATOM 0 H ARG A 19 -9.582 6.736 9.798 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.257 8.686 11.341 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.101 6.124 11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.162 6.264 9.852 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.603 6.044 11.602 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.551 7.728 11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.598 7.314 13.621 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.806 8.433 13.020 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.509 6.702 13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.332 5.916 14.610 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.978 4.714 15.732 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.322 5.185 14.750 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.217 4.304 15.811 1.00 0.00 H new ATOM 299 N ALA A 20 -7.259 8.449 8.205 1.00 0.00 N ATOM 300 CA ALA A 20 -6.556 9.161 7.142 1.00 0.00 C ATOM 301 C ALA A 20 -7.163 10.536 6.918 1.00 0.00 C ATOM 302 O ALA A 20 -6.450 11.517 6.726 1.00 0.00 O ATOM 303 CB ALA A 20 -6.605 8.356 5.852 1.00 0.00 C ATOM 0 H ALA A 20 -7.688 7.573 7.907 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.517 9.288 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.078 8.896 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.129 7.388 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.643 8.206 5.556 1.00 0.00 H new ATOM 309 N GLU A 21 -8.485 10.591 6.971 1.00 0.00 N ATOM 310 CA GLU A 21 -9.224 11.814 6.700 1.00 0.00 C ATOM 311 C GLU A 21 -8.902 12.904 7.724 1.00 0.00 C ATOM 312 O GLU A 21 -8.769 14.077 7.372 1.00 0.00 O ATOM 313 CB GLU A 21 -10.726 11.505 6.694 1.00 0.00 C ATOM 314 CG GLU A 21 -11.610 12.693 6.355 1.00 0.00 C ATOM 315 CD GLU A 21 -13.078 12.319 6.283 1.00 0.00 C ATOM 316 OE1 GLU A 21 -13.695 12.101 7.346 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.627 12.251 5.162 1.00 0.00 O ATOM 0 H GLU A 21 -9.074 9.791 7.202 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.925 12.193 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.918 10.708 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.010 11.124 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.472 13.471 7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.298 13.114 5.399 1.00 0.00 H new ATOM 324 N VAL A 22 -8.742 12.516 8.983 1.00 0.00 N ATOM 325 CA VAL A 22 -8.585 13.495 10.052 1.00 0.00 C ATOM 326 C VAL A 22 -7.127 13.887 10.308 1.00 0.00 C ATOM 327 O VAL A 22 -6.837 15.064 10.530 1.00 0.00 O ATOM 328 CB VAL A 22 -9.232 13.014 11.372 1.00 0.00 C ATOM 329 CG1 VAL A 22 -10.735 12.860 11.194 1.00 0.00 C ATOM 330 CG2 VAL A 22 -8.615 11.707 11.850 1.00 0.00 C ATOM 0 H VAL A 22 -8.718 11.543 9.287 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.107 14.385 9.700 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.041 13.768 12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.179 12.521 12.130 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.168 13.820 10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.936 12.129 10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.093 11.398 12.780 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.762 10.937 11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.548 11.849 12.020 1.00 0.00 H new ATOM 340 N GLU A 23 -6.204 12.927 10.277 1.00 0.00 N ATOM 341 CA GLU A 23 -4.826 13.222 10.661 1.00 0.00 C ATOM 342 C GLU A 23 -3.917 13.415 9.453 1.00 0.00 C ATOM 343 O GLU A 23 -3.053 14.297 9.453 1.00 0.00 O ATOM 344 CB GLU A 23 -4.258 12.108 11.548 1.00 0.00 C ATOM 345 CG GLU A 23 -2.859 12.417 12.070 1.00 0.00 C ATOM 346 CD GLU A 23 -2.250 11.290 12.879 1.00 0.00 C ATOM 347 OE1 GLU A 23 -3.001 10.414 13.356 1.00 0.00 O ATOM 348 OE2 GLU A 23 -1.008 11.277 13.043 1.00 0.00 O ATOM 0 H GLU A 23 -6.379 11.962 9.997 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.853 14.159 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.928 11.947 12.393 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.231 11.178 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.207 12.641 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.901 13.315 12.687 1.00 0.00 H new ATOM 355 N ASP A 24 -4.118 12.629 8.412 1.00 0.00 N ATOM 356 CA ASP A 24 -3.182 12.629 7.298 1.00 0.00 C ATOM 357 C ASP A 24 -3.853 13.075 6.008 1.00 0.00 C ATOM 358 O ASP A 24 -4.647 14.018 6.004 1.00 0.00 O ATOM 359 CB ASP A 24 -2.525 11.249 7.136 1.00 0.00 C ATOM 360 CG ASP A 24 -1.621 10.892 8.303 1.00 0.00 C ATOM 361 OD1 ASP A 24 -0.597 11.579 8.503 1.00 0.00 O ATOM 362 OD2 ASP A 24 -1.927 9.923 9.024 1.00 0.00 O ATOM 0 H ASP A 24 -4.907 11.991 8.312 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.397 13.351 7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.301 10.490 7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.945 11.233 6.213 1.00 0.00 H new ATOM 367 N LYS A 25 -3.541 12.396 4.925 1.00 0.00 N ATOM 368 CA LYS A 25 -3.905 12.869 3.599 1.00 0.00 C ATOM 369 C LYS A 25 -4.876 11.929 2.901 1.00 0.00 C ATOM 370 O LYS A 25 -6.029 12.285 2.658 1.00 0.00 O ATOM 371 CB LYS A 25 -2.640 13.035 2.754 1.00 0.00 C ATOM 372 CG LYS A 25 -2.893 13.492 1.327 1.00 0.00 C ATOM 373 CD LYS A 25 -1.594 13.578 0.547 1.00 0.00 C ATOM 374 CE LYS A 25 -1.817 14.119 -0.856 1.00 0.00 C ATOM 375 NZ LYS A 25 -2.544 15.415 -0.842 1.00 0.00 N ATOM 0 H LYS A 25 -3.034 11.511 4.933 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.409 13.829 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.984 13.755 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.107 12.084 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.573 12.797 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.383 14.466 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.892 14.221 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.138 12.589 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.855 14.248 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.382 13.392 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.442 15.880 -1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.552 15.246 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.148 16.027 -0.101 1.00 0.00 H new ATOM 389 N LEU A 26 -4.411 10.732 2.586 1.00 0.00 N ATOM 390 CA LEU A 26 -5.179 9.815 1.759 1.00 0.00 C ATOM 391 C LEU A 26 -4.987 8.373 2.224 1.00 0.00 C ATOM 392 O LEU A 26 -4.021 8.058 2.933 1.00 0.00 O ATOM 393 CB LEU A 26 -4.753 9.989 0.294 1.00 0.00 C ATOM 394 CG LEU A 26 -5.608 9.264 -0.747 1.00 0.00 C ATOM 395 CD1 LEU A 26 -5.941 10.197 -1.899 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.886 8.032 -1.266 1.00 0.00 C ATOM 0 H LEU A 26 -3.506 10.372 2.890 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.241 10.043 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.757 11.054 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.724 9.644 0.193 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.536 8.949 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.550 9.667 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.494 11.058 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.019 10.536 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.510 7.529 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.944 8.330 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.685 7.352 -0.438 1.00 0.00 H new ATOM 408 N LEU A 27 -5.912 7.508 1.820 1.00 0.00 N ATOM 409 CA LEU A 27 -5.925 6.120 2.251 1.00 0.00 C ATOM 410 C LEU A 27 -5.065 5.257 1.331 1.00 0.00 C ATOM 411 O LEU A 27 -5.454 4.959 0.196 1.00 0.00 O ATOM 412 CB LEU A 27 -7.370 5.608 2.252 1.00 0.00 C ATOM 413 CG LEU A 27 -7.591 4.234 2.892 1.00 0.00 C ATOM 414 CD1 LEU A 27 -7.391 4.311 4.396 1.00 0.00 C ATOM 415 CD2 LEU A 27 -8.981 3.707 2.569 1.00 0.00 C ATOM 0 H LEU A 27 -6.672 7.752 1.185 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.510 6.058 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.993 6.335 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.722 5.568 1.221 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.857 3.542 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.552 3.326 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.375 4.643 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.102 5.019 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.117 2.730 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.731 4.399 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.093 3.614 1.489 1.00 0.00 H new ATOM 427 N PHE A 28 -3.893 4.869 1.810 1.00 0.00 N ATOM 428 CA PHE A 28 -3.007 4.011 1.038 1.00 0.00 C ATOM 429 C PHE A 28 -3.054 2.589 1.589 1.00 0.00 C ATOM 430 O PHE A 28 -2.656 2.335 2.722 1.00 0.00 O ATOM 431 CB PHE A 28 -1.573 4.550 1.056 1.00 0.00 C ATOM 432 CG PHE A 28 -0.602 3.703 0.281 1.00 0.00 C ATOM 433 CD1 PHE A 28 -0.714 3.579 -1.095 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.420 3.033 0.930 1.00 0.00 C ATOM 435 CE1 PHE A 28 0.176 2.801 -1.808 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.314 2.254 0.222 1.00 0.00 C ATOM 437 CZ PHE A 28 1.191 2.137 -1.148 1.00 0.00 C ATOM 0 H PHE A 28 -3.534 5.134 2.727 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.347 4.000 0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.568 5.560 0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.234 4.623 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.506 4.097 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.520 3.120 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.079 2.712 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.108 1.737 0.740 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.888 1.527 -1.703 1.00 0.00 H new ATOM 447 N VAL A 29 -3.549 1.665 0.787 1.00 0.00 N ATOM 448 CA VAL A 29 -3.733 0.294 1.238 1.00 0.00 C ATOM 449 C VAL A 29 -2.715 -0.636 0.587 1.00 0.00 C ATOM 450 O VAL A 29 -2.499 -0.583 -0.626 1.00 0.00 O ATOM 451 CB VAL A 29 -5.157 -0.209 0.922 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.390 -1.593 1.510 1.00 0.00 C ATOM 453 CG2 VAL A 29 -6.197 0.776 1.432 1.00 0.00 C ATOM 0 H VAL A 29 -3.831 1.836 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.585 0.287 2.318 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.257 -0.284 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.401 -1.924 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.670 -2.294 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.266 -1.554 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.195 0.404 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.093 0.888 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.049 1.743 0.951 1.00 0.00 H new ATOM 463 N ASP A 30 -2.085 -1.472 1.397 1.00 0.00 N ATOM 464 CA ASP A 30 -1.171 -2.489 0.898 1.00 0.00 C ATOM 465 C ASP A 30 -1.787 -3.870 1.066 1.00 0.00 C ATOM 466 O ASP A 30 -2.128 -4.282 2.180 1.00 0.00 O ATOM 467 CB ASP A 30 0.172 -2.424 1.631 1.00 0.00 C ATOM 468 CG ASP A 30 1.078 -3.599 1.296 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.658 -3.615 0.189 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.222 -4.506 2.144 1.00 0.00 O ATOM 0 H ASP A 30 -2.191 -1.466 2.411 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.994 -2.300 -0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.678 -1.494 1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.006 -2.402 2.706 1.00 0.00 H new ATOM 475 N CYS A 31 -1.960 -4.567 -0.041 1.00 0.00 N ATOM 476 CA CYS A 31 -2.478 -5.921 -0.016 1.00 0.00 C ATOM 477 C CYS A 31 -1.431 -6.871 -0.564 1.00 0.00 C ATOM 478 O CYS A 31 -1.074 -6.809 -1.742 1.00 0.00 O ATOM 479 CB CYS A 31 -3.766 -6.030 -0.834 1.00 0.00 C ATOM 480 SG CYS A 31 -5.123 -5.001 -0.233 1.00 0.00 S ATOM 0 H CYS A 31 -1.748 -4.215 -0.974 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.710 -6.187 1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.550 -5.757 -1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.091 -7.070 -0.840 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.163 -5.166 -0.995 1.00 0.00 H new ATOM 486 N PHE A 32 -0.928 -7.733 0.295 1.00 0.00 N ATOM 487 CA PHE A 32 0.095 -8.680 -0.101 1.00 0.00 C ATOM 488 C PHE A 32 -0.504 -10.067 -0.282 1.00 0.00 C ATOM 489 O PHE A 32 -1.457 -10.441 0.407 1.00 0.00 O ATOM 490 CB PHE A 32 1.227 -8.720 0.935 1.00 0.00 C ATOM 491 CG PHE A 32 0.776 -9.080 2.328 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.265 -8.112 3.178 1.00 0.00 C ATOM 493 CD2 PHE A 32 0.865 -10.386 2.785 1.00 0.00 C ATOM 494 CE1 PHE A 32 -0.148 -8.437 4.453 1.00 0.00 C ATOM 495 CE2 PHE A 32 0.454 -10.717 4.063 1.00 0.00 C ATOM 496 CZ PHE A 32 -0.054 -9.741 4.897 1.00 0.00 C ATOM 0 H PHE A 32 -1.211 -7.798 1.273 1.00 0.00 H new ATOM 0 HA PHE A 32 0.511 -8.353 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.977 -9.441 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.714 -7.745 0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.189 -7.090 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.260 -11.153 2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.545 -7.672 5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.530 -11.737 4.408 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.377 -9.997 5.895 1.00 0.00 H new ATOM 506 N THR A 33 0.054 -10.820 -1.210 1.00 0.00 N ATOM 507 CA THR A 33 -0.350 -12.195 -1.417 1.00 0.00 C ATOM 508 C THR A 33 0.649 -13.114 -0.720 1.00 0.00 C ATOM 509 O THR A 33 1.843 -12.803 -0.659 1.00 0.00 O ATOM 510 CB THR A 33 -0.431 -12.528 -2.923 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.228 -11.539 -3.592 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.042 -13.902 -3.152 1.00 0.00 C ATOM 0 H THR A 33 0.793 -10.499 -1.836 1.00 0.00 H new ATOM 0 HA THR A 33 -1.343 -12.343 -0.994 1.00 0.00 H new ATOM 0 HB THR A 33 0.582 -12.529 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.688 -10.736 -3.750 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.085 -14.107 -4.222 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.430 -14.659 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.050 -13.926 -2.737 1.00 0.00 H new ATOM 520 N THR A 34 0.152 -14.235 -0.202 1.00 0.00 N ATOM 521 CA THR A 34 0.926 -15.135 0.654 1.00 0.00 C ATOM 522 C THR A 34 2.200 -15.678 -0.003 1.00 0.00 C ATOM 523 O THR A 34 3.025 -16.310 0.662 1.00 0.00 O ATOM 524 CB THR A 34 0.038 -16.304 1.100 1.00 0.00 C ATOM 525 OG1 THR A 34 -0.891 -16.628 0.053 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.720 -15.953 2.370 1.00 0.00 C ATOM 0 H THR A 34 -0.805 -14.548 -0.365 1.00 0.00 H new ATOM 0 HA THR A 34 1.253 -14.542 1.509 1.00 0.00 H new ATOM 0 HB THR A 34 0.674 -17.165 1.306 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.457 -17.376 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.343 -16.797 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.011 -15.727 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.351 -15.083 2.189 1.00 0.00 H new ATOM 534 N TRP A 35 2.354 -15.438 -1.298 1.00 0.00 N ATOM 535 CA TRP A 35 3.557 -15.837 -2.018 1.00 0.00 C ATOM 536 C TRP A 35 4.789 -15.118 -1.474 1.00 0.00 C ATOM 537 O TRP A 35 5.837 -15.732 -1.271 1.00 0.00 O ATOM 538 CB TRP A 35 3.395 -15.549 -3.507 1.00 0.00 C ATOM 539 CG TRP A 35 2.445 -16.485 -4.182 1.00 0.00 C ATOM 540 CD1 TRP A 35 1.229 -16.188 -4.725 1.00 0.00 C ATOM 541 CD2 TRP A 35 2.639 -17.884 -4.372 1.00 0.00 C ATOM 542 NE1 TRP A 35 0.661 -17.324 -5.252 1.00 0.00 N ATOM 543 CE2 TRP A 35 1.509 -18.379 -5.044 1.00 0.00 C ATOM 544 CE3 TRP A 35 3.666 -18.764 -4.035 1.00 0.00 C ATOM 545 CZ2 TRP A 35 1.379 -19.719 -5.392 1.00 0.00 C ATOM 546 CZ3 TRP A 35 3.537 -20.094 -4.379 1.00 0.00 C ATOM 547 CH2 TRP A 35 2.400 -20.560 -5.051 1.00 0.00 C ATOM 0 H TRP A 35 1.657 -14.966 -1.875 1.00 0.00 H new ATOM 0 HA TRP A 35 3.700 -16.908 -1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.043 -14.526 -3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.369 -15.615 -3.992 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.779 -15.206 -4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.244 -17.373 -5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.545 -18.412 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.504 -20.081 -5.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.326 -20.787 -4.126 1.00 0.00 H new ATOM 0 HH2 TRP A 35 2.329 -21.607 -5.305 1.00 0.00 H new ATOM 558 N CYS A 36 4.642 -13.814 -1.248 1.00 0.00 N ATOM 559 CA CYS A 36 5.700 -12.981 -0.672 1.00 0.00 C ATOM 560 C CYS A 36 6.991 -13.011 -1.497 1.00 0.00 C ATOM 561 O CYS A 36 8.082 -12.812 -0.959 1.00 0.00 O ATOM 562 CB CYS A 36 5.983 -13.409 0.769 1.00 0.00 C ATOM 563 SG CYS A 36 4.568 -13.221 1.880 1.00 0.00 S ATOM 0 H CYS A 36 3.785 -13.303 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 36 5.339 -11.953 -0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.299 -14.452 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.816 -12.822 1.155 1.00 0.00 H new ATOM 0 HG CYS A 36 4.900 -13.609 3.075 1.00 0.00 H new ATOM 569 N GLY A 37 6.862 -13.231 -2.801 1.00 0.00 N ATOM 570 CA GLY A 37 8.024 -13.242 -3.677 1.00 0.00 C ATOM 571 C GLY A 37 8.689 -11.879 -3.776 1.00 0.00 C ATOM 572 O GLY A 37 9.783 -11.682 -3.248 1.00 0.00 O ATOM 0 H GLY A 37 5.972 -13.402 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.747 -13.970 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.722 -13.569 -4.672 1.00 0.00 H new ATOM 576 N PRO A 38 8.046 -10.919 -4.461 1.00 0.00 N ATOM 577 CA PRO A 38 8.536 -9.537 -4.554 1.00 0.00 C ATOM 578 C PRO A 38 8.752 -8.903 -3.182 1.00 0.00 C ATOM 579 O PRO A 38 9.702 -8.144 -2.976 1.00 0.00 O ATOM 580 CB PRO A 38 7.416 -8.805 -5.298 1.00 0.00 C ATOM 581 CG PRO A 38 6.686 -9.869 -6.043 1.00 0.00 C ATOM 582 CD PRO A 38 6.803 -11.118 -5.218 1.00 0.00 C ATOM 0 HA PRO A 38 9.504 -9.488 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.755 -8.286 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.819 -8.054 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.641 -9.595 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.117 -10.016 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.946 -11.242 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.854 -12.009 -5.844 1.00 0.00 H new ATOM 590 N CYS A 39 7.867 -9.235 -2.242 1.00 0.00 N ATOM 591 CA CYS A 39 7.935 -8.704 -0.886 1.00 0.00 C ATOM 592 C CYS A 39 9.265 -9.055 -0.226 1.00 0.00 C ATOM 593 O CYS A 39 9.761 -8.312 0.621 1.00 0.00 O ATOM 594 CB CYS A 39 6.774 -9.247 -0.045 1.00 0.00 C ATOM 595 SG CYS A 39 6.654 -8.531 1.606 1.00 0.00 S ATOM 0 H CYS A 39 7.089 -9.875 -2.400 1.00 0.00 H new ATOM 0 HA CYS A 39 7.857 -7.618 -0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.840 -9.064 -0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.882 -10.328 0.047 1.00 0.00 H new ATOM 0 HG CYS A 39 7.821 -8.095 1.976 1.00 0.00 H new ATOM 601 N LYS A 40 9.849 -10.175 -0.635 1.00 0.00 N ATOM 602 CA LYS A 40 11.117 -10.622 -0.081 1.00 0.00 C ATOM 603 C LYS A 40 12.219 -9.612 -0.408 1.00 0.00 C ATOM 604 O LYS A 40 12.993 -9.222 0.466 1.00 0.00 O ATOM 605 CB LYS A 40 11.478 -12.004 -0.630 1.00 0.00 C ATOM 606 CG LYS A 40 12.548 -12.717 0.174 1.00 0.00 C ATOM 607 CD LYS A 40 12.912 -14.055 -0.444 1.00 0.00 C ATOM 608 CE LYS A 40 13.816 -14.863 0.473 1.00 0.00 C ATOM 609 NZ LYS A 40 15.020 -14.098 0.890 1.00 0.00 N ATOM 0 H LYS A 40 9.462 -10.790 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 40 11.021 -10.695 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.581 -12.622 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.819 -11.899 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.437 -12.090 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.196 -12.870 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.004 -14.620 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.412 -13.892 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.256 -15.166 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.126 -15.775 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.709 -14.745 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.448 -13.644 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.747 -13.369 1.579 1.00 0.00 H new ATOM 623 N ARG A 41 12.257 -9.164 -1.662 1.00 0.00 N ATOM 624 CA ARG A 41 13.221 -8.156 -2.084 1.00 0.00 C ATOM 625 C ARG A 41 12.927 -6.820 -1.418 1.00 0.00 C ATOM 626 O ARG A 41 13.842 -6.080 -1.043 1.00 0.00 O ATOM 627 CB ARG A 41 13.207 -7.988 -3.606 1.00 0.00 C ATOM 628 CG ARG A 41 14.009 -9.036 -4.352 1.00 0.00 C ATOM 629 CD ARG A 41 14.147 -8.678 -5.823 1.00 0.00 C ATOM 630 NE ARG A 41 12.900 -8.870 -6.566 1.00 0.00 N ATOM 631 CZ ARG A 41 12.536 -8.135 -7.621 1.00 0.00 C ATOM 632 NH1 ARG A 41 13.271 -7.094 -8.003 1.00 0.00 N ATOM 633 NH2 ARG A 41 11.422 -8.425 -8.284 1.00 0.00 N ATOM 0 H ARG A 41 11.631 -9.484 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 41 14.211 -8.495 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.175 -8.020 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.598 -7.001 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.998 -9.129 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.523 -10.007 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.463 -7.639 -5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.931 -9.289 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 41 12.270 -9.611 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.119 -6.852 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.987 -6.538 -8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.842 -9.210 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.146 -7.862 -9.089 1.00 0.00 H new ATOM 647 N LEU A 42 11.643 -6.519 -1.263 1.00 0.00 N ATOM 648 CA LEU A 42 11.214 -5.271 -0.650 1.00 0.00 C ATOM 649 C LEU A 42 11.632 -5.216 0.816 1.00 0.00 C ATOM 650 O LEU A 42 12.001 -4.159 1.326 1.00 0.00 O ATOM 651 CB LEU A 42 9.694 -5.116 -0.760 1.00 0.00 C ATOM 652 CG LEU A 42 9.129 -5.168 -2.184 1.00 0.00 C ATOM 653 CD1 LEU A 42 7.616 -5.014 -2.163 1.00 0.00 C ATOM 654 CD2 LEU A 42 9.759 -4.092 -3.056 1.00 0.00 C ATOM 0 H LEU A 42 10.878 -7.127 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 42 11.696 -4.451 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.222 -5.903 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.409 -4.166 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 42 9.374 -6.141 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.232 -5.053 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.176 -5.822 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.354 -4.056 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.342 -4.149 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.549 -3.110 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.837 -4.245 -3.101 1.00 0.00 H new ATOM 666 N SER A 43 11.593 -6.366 1.477 1.00 0.00 N ATOM 667 CA SER A 43 11.911 -6.450 2.900 1.00 0.00 C ATOM 668 C SER A 43 13.358 -6.038 3.183 1.00 0.00 C ATOM 669 O SER A 43 13.659 -5.516 4.253 1.00 0.00 O ATOM 670 CB SER A 43 11.660 -7.869 3.415 1.00 0.00 C ATOM 671 OG SER A 43 10.301 -8.242 3.245 1.00 0.00 O ATOM 0 H SER A 43 11.343 -7.258 1.050 1.00 0.00 H new ATOM 0 HA SER A 43 11.258 -5.753 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.302 -8.571 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.927 -7.929 4.470 1.00 0.00 H new ATOM 0 HG SER A 43 10.087 -8.271 2.289 1.00 0.00 H new ATOM 677 N LYS A 44 14.242 -6.264 2.219 1.00 0.00 N ATOM 678 CA LYS A 44 15.660 -5.978 2.404 1.00 0.00 C ATOM 679 C LYS A 44 15.941 -4.479 2.403 1.00 0.00 C ATOM 680 O LYS A 44 16.622 -3.963 3.287 1.00 0.00 O ATOM 681 CB LYS A 44 16.484 -6.634 1.301 1.00 0.00 C ATOM 682 CG LYS A 44 16.309 -8.136 1.208 1.00 0.00 C ATOM 683 CD LYS A 44 17.297 -8.737 0.225 1.00 0.00 C ATOM 684 CE LYS A 44 17.103 -8.191 -1.180 1.00 0.00 C ATOM 685 NZ LYS A 44 18.116 -8.734 -2.119 1.00 0.00 N ATOM 0 H LYS A 44 14.003 -6.644 1.303 1.00 0.00 H new ATOM 0 HA LYS A 44 15.943 -6.385 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.212 -6.187 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.538 -6.411 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.450 -8.584 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.291 -8.369 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.313 -8.528 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.182 -9.821 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.104 -8.444 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.169 -7.103 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.955 -8.341 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.068 -8.472 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.036 -9.770 -2.155 1.00 0.00 H new ATOM 699 N VAL A 45 15.436 -3.789 1.393 1.00 0.00 N ATOM 700 CA VAL A 45 15.758 -2.375 1.211 1.00 0.00 C ATOM 701 C VAL A 45 14.602 -1.452 1.587 1.00 0.00 C ATOM 702 O VAL A 45 14.766 -0.522 2.382 1.00 0.00 O ATOM 703 CB VAL A 45 16.200 -2.102 -0.247 1.00 0.00 C ATOM 704 CG1 VAL A 45 15.141 -2.524 -1.259 1.00 0.00 C ATOM 705 CG2 VAL A 45 16.587 -0.639 -0.438 1.00 0.00 C ATOM 0 H VAL A 45 14.807 -4.177 0.690 1.00 0.00 H new ATOM 0 HA VAL A 45 16.581 -2.153 1.890 1.00 0.00 H new ATOM 0 HB VAL A 45 17.081 -2.716 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 45 15.497 -2.313 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 45 14.947 -3.592 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 45 14.221 -1.969 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.893 -0.476 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 45 15.732 -0.003 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 45 17.413 -0.391 0.229 1.00 0.00 H new ATOM 715 N VAL A 46 13.443 -1.721 1.015 1.00 0.00 N ATOM 716 CA VAL A 46 12.267 -0.870 1.191 1.00 0.00 C ATOM 717 C VAL A 46 11.873 -0.755 2.658 1.00 0.00 C ATOM 718 O VAL A 46 11.650 0.343 3.163 1.00 0.00 O ATOM 719 CB VAL A 46 11.060 -1.400 0.389 1.00 0.00 C ATOM 720 CG1 VAL A 46 9.858 -0.478 0.542 1.00 0.00 C ATOM 721 CG2 VAL A 46 11.421 -1.567 -1.076 1.00 0.00 C ATOM 0 H VAL A 46 13.284 -2.531 0.416 1.00 0.00 H new ATOM 0 HA VAL A 46 12.542 0.116 0.816 1.00 0.00 H new ATOM 0 HB VAL A 46 10.791 -2.377 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.021 -0.874 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.579 -0.416 1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.113 0.516 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.556 -1.942 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.722 -0.604 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.244 -2.275 -1.169 1.00 0.00 H new ATOM 731 N PHE A 47 11.817 -1.889 3.342 1.00 0.00 N ATOM 732 CA PHE A 47 11.382 -1.931 4.737 1.00 0.00 C ATOM 733 C PHE A 47 12.514 -1.582 5.703 1.00 0.00 C ATOM 734 O PHE A 47 12.479 -1.975 6.870 1.00 0.00 O ATOM 735 CB PHE A 47 10.830 -3.318 5.080 1.00 0.00 C ATOM 736 CG PHE A 47 9.483 -3.613 4.473 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.367 -4.014 3.152 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.332 -3.499 5.237 1.00 0.00 C ATOM 739 CE1 PHE A 47 8.130 -4.291 2.603 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.092 -3.775 4.692 1.00 0.00 C ATOM 741 CZ PHE A 47 6.991 -4.172 3.374 1.00 0.00 C ATOM 0 H PHE A 47 12.068 -2.798 2.954 1.00 0.00 H new ATOM 0 HA PHE A 47 10.599 -1.182 4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.541 -4.073 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.756 -3.410 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.254 -4.111 2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.405 -3.191 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.054 -4.601 1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.203 -3.680 5.297 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.023 -4.389 2.947 1.00 0.00 H new ATOM 751 N LYS A 48 13.502 -0.832 5.230 1.00 0.00 N ATOM 752 CA LYS A 48 14.632 -0.456 6.070 1.00 0.00 C ATOM 753 C LYS A 48 14.976 1.029 5.932 1.00 0.00 C ATOM 754 O LYS A 48 15.311 1.683 6.922 1.00 0.00 O ATOM 755 CB LYS A 48 15.845 -1.332 5.736 1.00 0.00 C ATOM 756 CG LYS A 48 17.069 -1.054 6.597 1.00 0.00 C ATOM 757 CD LYS A 48 18.070 -0.160 5.880 1.00 0.00 C ATOM 758 CE LYS A 48 19.311 0.089 6.725 1.00 0.00 C ATOM 759 NZ LYS A 48 20.342 0.860 5.979 1.00 0.00 N ATOM 0 H LYS A 48 13.544 -0.474 4.276 1.00 0.00 H new ATOM 0 HA LYS A 48 14.349 -0.622 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.565 -2.379 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.109 -1.184 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.759 -0.579 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.548 -1.996 6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.359 -0.622 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.598 0.792 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.033 0.633 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.731 -0.865 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.172 1.009 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.626 0.329 5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.950 1.781 5.696 1.00 0.00 H new ATOM 773 N ASP A 49 14.886 1.557 4.714 1.00 0.00 N ATOM 774 CA ASP A 49 15.254 2.951 4.450 1.00 0.00 C ATOM 775 C ASP A 49 14.385 3.911 5.261 1.00 0.00 C ATOM 776 O ASP A 49 13.177 4.014 5.037 1.00 0.00 O ATOM 777 CB ASP A 49 15.126 3.271 2.960 1.00 0.00 C ATOM 778 CG ASP A 49 15.745 4.611 2.600 1.00 0.00 C ATOM 779 OD1 ASP A 49 15.090 5.652 2.808 1.00 0.00 O ATOM 780 OD2 ASP A 49 16.895 4.626 2.102 1.00 0.00 O ATOM 0 H ASP A 49 14.562 1.044 3.894 1.00 0.00 H new ATOM 0 HA ASP A 49 16.293 3.082 4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.607 2.484 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.072 3.274 2.681 1.00 0.00 H new ATOM 785 N SER A 50 15.012 4.604 6.204 1.00 0.00 N ATOM 786 CA SER A 50 14.305 5.499 7.111 1.00 0.00 C ATOM 787 C SER A 50 13.766 6.736 6.394 1.00 0.00 C ATOM 788 O SER A 50 12.729 7.280 6.778 1.00 0.00 O ATOM 789 CB SER A 50 15.234 5.918 8.248 1.00 0.00 C ATOM 790 OG SER A 50 15.769 4.779 8.901 1.00 0.00 O ATOM 0 H SER A 50 16.019 4.562 6.361 1.00 0.00 H new ATOM 0 HA SER A 50 13.449 4.956 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.044 6.533 7.855 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.687 6.531 8.964 1.00 0.00 H new ATOM 0 HG SER A 50 16.363 5.066 9.625 1.00 0.00 H new ATOM 796 N LEU A 51 14.464 7.176 5.353 1.00 0.00 N ATOM 797 CA LEU A 51 14.055 8.355 4.605 1.00 0.00 C ATOM 798 C LEU A 51 12.729 8.109 3.894 1.00 0.00 C ATOM 799 O LEU A 51 11.819 8.941 3.940 1.00 0.00 O ATOM 800 CB LEU A 51 15.132 8.738 3.592 1.00 0.00 C ATOM 801 CG LEU A 51 16.488 9.100 4.195 1.00 0.00 C ATOM 802 CD1 LEU A 51 17.491 9.419 3.097 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.352 10.281 5.145 1.00 0.00 C ATOM 0 H LEU A 51 15.316 6.733 5.009 1.00 0.00 H new ATOM 0 HA LEU A 51 13.922 9.178 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.270 7.908 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.774 9.585 3.007 1.00 0.00 H new ATOM 0 HG LEU A 51 16.852 8.242 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.451 9.675 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.612 8.550 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.130 10.262 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.328 10.524 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.966 11.143 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.665 10.023 5.951 1.00 0.00 H new ATOM 815 N VAL A 52 12.627 6.964 3.236 1.00 0.00 N ATOM 816 CA VAL A 52 11.390 6.574 2.572 1.00 0.00 C ATOM 817 C VAL A 52 10.306 6.264 3.605 1.00 0.00 C ATOM 818 O VAL A 52 9.121 6.532 3.382 1.00 0.00 O ATOM 819 CB VAL A 52 11.607 5.344 1.659 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.318 4.945 0.957 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.701 5.625 0.641 1.00 0.00 C ATOM 0 H VAL A 52 13.385 6.288 3.147 1.00 0.00 H new ATOM 0 HA VAL A 52 11.069 7.411 1.952 1.00 0.00 H new ATOM 0 HB VAL A 52 11.919 4.510 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.502 4.078 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.561 4.696 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.966 5.775 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.841 4.750 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.415 6.477 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.633 5.849 1.161 1.00 0.00 H new ATOM 831 N ALA A 53 10.727 5.715 4.742 1.00 0.00 N ATOM 832 CA ALA A 53 9.808 5.377 5.824 1.00 0.00 C ATOM 833 C ALA A 53 9.021 6.596 6.296 1.00 0.00 C ATOM 834 O ALA A 53 7.793 6.556 6.371 1.00 0.00 O ATOM 835 CB ALA A 53 10.566 4.758 6.990 1.00 0.00 C ATOM 0 H ALA A 53 11.703 5.494 4.938 1.00 0.00 H new ATOM 0 HA ALA A 53 9.095 4.650 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.867 4.512 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.070 3.851 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.305 5.468 7.361 1.00 0.00 H new ATOM 841 N ASP A 54 9.733 7.680 6.598 1.00 0.00 N ATOM 842 CA ASP A 54 9.095 8.909 7.072 1.00 0.00 C ATOM 843 C ASP A 54 8.196 9.489 5.991 1.00 0.00 C ATOM 844 O ASP A 54 7.070 9.905 6.259 1.00 0.00 O ATOM 845 CB ASP A 54 10.149 9.947 7.474 1.00 0.00 C ATOM 846 CG ASP A 54 9.540 11.177 8.128 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.354 11.161 9.364 1.00 0.00 O ATOM 848 OD2 ASP A 54 9.262 12.172 7.420 1.00 0.00 O ATOM 0 H ASP A 54 10.749 7.734 6.524 1.00 0.00 H new ATOM 0 HA ASP A 54 8.493 8.661 7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.860 9.489 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.710 10.250 6.590 1.00 0.00 H new ATOM 853 N TYR A 55 8.704 9.487 4.766 1.00 0.00 N ATOM 854 CA TYR A 55 7.982 10.027 3.620 1.00 0.00 C ATOM 855 C TYR A 55 6.604 9.381 3.476 1.00 0.00 C ATOM 856 O TYR A 55 5.584 10.070 3.477 1.00 0.00 O ATOM 857 CB TYR A 55 8.812 9.811 2.350 1.00 0.00 C ATOM 858 CG TYR A 55 8.179 10.346 1.082 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.991 11.709 0.895 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.789 9.482 0.066 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.428 12.199 -0.269 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.224 9.963 -1.100 1.00 0.00 C ATOM 863 CZ TYR A 55 7.046 11.322 -1.263 1.00 0.00 C ATOM 864 OH TYR A 55 6.483 11.805 -2.423 1.00 0.00 O ATOM 0 H TYR A 55 9.625 9.113 4.538 1.00 0.00 H new ATOM 0 HA TYR A 55 7.827 11.095 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.784 10.285 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.992 8.743 2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.289 12.398 1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.930 8.418 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.288 13.262 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.923 9.279 -1.880 1.00 0.00 H new ATOM 0 HH TYR A 55 6.272 11.057 -3.020 1.00 0.00 H new ATOM 874 N PHE A 56 6.576 8.059 3.374 1.00 0.00 N ATOM 875 CA PHE A 56 5.321 7.341 3.202 1.00 0.00 C ATOM 876 C PHE A 56 4.437 7.437 4.440 1.00 0.00 C ATOM 877 O PHE A 56 3.287 7.851 4.349 1.00 0.00 O ATOM 878 CB PHE A 56 5.580 5.874 2.859 1.00 0.00 C ATOM 879 CG PHE A 56 5.629 5.602 1.384 1.00 0.00 C ATOM 880 CD1 PHE A 56 6.793 5.804 0.662 1.00 0.00 C ATOM 881 CD2 PHE A 56 4.504 5.138 0.721 1.00 0.00 C ATOM 882 CE1 PHE A 56 6.831 5.548 -0.695 1.00 0.00 C ATOM 883 CE2 PHE A 56 4.538 4.879 -0.634 1.00 0.00 C ATOM 884 CZ PHE A 56 5.703 5.086 -1.344 1.00 0.00 C ATOM 0 H PHE A 56 7.404 7.464 3.407 1.00 0.00 H new ATOM 0 HA PHE A 56 4.792 7.814 2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.524 5.566 3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.798 5.261 3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.679 6.165 1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.589 4.977 1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.744 5.709 -1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.655 4.515 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.733 4.887 -2.405 1.00 0.00 H new ATOM 894 N ASN A 57 4.995 7.088 5.595 1.00 0.00 N ATOM 895 CA ASN A 57 4.210 6.936 6.822 1.00 0.00 C ATOM 896 C ASN A 57 3.593 8.259 7.283 1.00 0.00 C ATOM 897 O ASN A 57 2.524 8.274 7.896 1.00 0.00 O ATOM 898 CB ASN A 57 5.092 6.361 7.935 1.00 0.00 C ATOM 899 CG ASN A 57 4.301 5.861 9.130 1.00 0.00 C ATOM 900 OD1 ASN A 57 3.174 5.381 8.997 1.00 0.00 O ATOM 901 ND2 ASN A 57 4.888 5.971 10.312 1.00 0.00 N ATOM 0 H ASN A 57 5.992 6.904 5.710 1.00 0.00 H new ATOM 0 HA ASN A 57 3.391 6.251 6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.685 5.540 7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.792 7.128 8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.406 5.653 11.153 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.822 6.374 10.382 1.00 0.00 H new ATOM 908 N ARG A 58 4.267 9.366 7.001 1.00 0.00 N ATOM 909 CA ARG A 58 3.797 10.667 7.460 1.00 0.00 C ATOM 910 C ARG A 58 2.835 11.307 6.461 1.00 0.00 C ATOM 911 O ARG A 58 1.899 12.001 6.856 1.00 0.00 O ATOM 912 CB ARG A 58 4.977 11.609 7.711 1.00 0.00 C ATOM 913 CG ARG A 58 4.596 12.931 8.375 1.00 0.00 C ATOM 914 CD ARG A 58 4.037 12.736 9.783 1.00 0.00 C ATOM 915 NE ARG A 58 2.663 12.221 9.791 1.00 0.00 N ATOM 916 CZ ARG A 58 1.974 11.960 10.906 1.00 0.00 C ATOM 917 NH1 ARG A 58 2.542 12.147 12.093 1.00 0.00 N ATOM 918 NH2 ARG A 58 0.719 11.519 10.833 1.00 0.00 N ATOM 0 H ARG A 58 5.133 9.391 6.462 1.00 0.00 H new ATOM 0 HA ARG A 58 3.259 10.503 8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.708 11.098 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.466 11.821 6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.473 13.577 8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.855 13.443 7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.680 12.047 10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.065 13.688 10.314 1.00 0.00 H new ATOM 0 HE ARG A 58 2.208 12.053 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.501 12.489 12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.019 11.949 12.946 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.280 11.379 9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.197 11.321 11.687 1.00 0.00 H new ATOM 932 N HIS A 59 3.069 11.088 5.173 1.00 0.00 N ATOM 933 CA HIS A 59 2.272 11.754 4.144 1.00 0.00 C ATOM 934 C HIS A 59 1.032 10.949 3.783 1.00 0.00 C ATOM 935 O HIS A 59 -0.017 11.513 3.479 1.00 0.00 O ATOM 936 CB HIS A 59 3.115 12.036 2.895 1.00 0.00 C ATOM 937 CG HIS A 59 4.113 13.134 3.101 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.855 14.450 2.797 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.366 13.109 3.613 1.00 0.00 C ATOM 940 CE1 HIS A 59 4.898 15.190 3.117 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.828 14.399 3.615 1.00 0.00 N ATOM 0 H HIS A 59 3.793 10.464 4.817 1.00 0.00 H new ATOM 0 HA HIS A 59 1.939 12.706 4.558 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.639 11.126 2.603 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.455 12.302 2.070 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.901 12.236 3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.977 16.260 2.993 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.744 14.699 3.948 1.00 0.00 H new ATOM 950 N PHE A 60 1.146 9.635 3.828 1.00 0.00 N ATOM 951 CA PHE A 60 0.015 8.767 3.553 1.00 0.00 C ATOM 952 C PHE A 60 -0.192 7.811 4.711 1.00 0.00 C ATOM 953 O PHE A 60 0.724 7.570 5.495 1.00 0.00 O ATOM 954 CB PHE A 60 0.225 7.978 2.255 1.00 0.00 C ATOM 955 CG PHE A 60 0.042 8.797 1.008 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.098 9.509 0.464 1.00 0.00 C ATOM 957 CD2 PHE A 60 -1.189 8.848 0.376 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.929 10.257 -0.685 1.00 0.00 C ATOM 959 CE2 PHE A 60 -1.364 9.594 -0.773 1.00 0.00 C ATOM 960 CZ PHE A 60 -0.304 10.300 -1.304 1.00 0.00 C ATOM 0 H PHE A 60 2.011 9.144 4.053 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.871 9.390 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.230 7.556 2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.472 7.141 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.065 9.479 0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.023 8.298 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.761 10.808 -1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.330 9.625 -1.256 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.439 10.885 -2.202 1.00 0.00 H new ATOM 970 N VAL A 61 -1.398 7.287 4.835 1.00 0.00 N ATOM 971 CA VAL A 61 -1.678 6.303 5.863 1.00 0.00 C ATOM 972 C VAL A 61 -1.411 4.910 5.322 1.00 0.00 C ATOM 973 O VAL A 61 -1.997 4.507 4.319 1.00 0.00 O ATOM 974 CB VAL A 61 -3.130 6.399 6.373 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.409 5.336 7.430 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.389 7.787 6.929 1.00 0.00 C ATOM 0 H VAL A 61 -2.193 7.524 4.242 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.019 6.506 6.707 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.805 6.221 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.440 5.426 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.254 4.346 7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.733 5.475 8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.416 7.849 7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.704 7.982 7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.233 8.528 6.145 1.00 0.00 H new ATOM 986 N ASN A 62 -0.505 4.201 5.974 1.00 0.00 N ATOM 987 CA ASN A 62 -0.149 2.849 5.572 1.00 0.00 C ATOM 988 C ASN A 62 -1.097 1.843 6.202 1.00 0.00 C ATOM 989 O ASN A 62 -1.202 1.761 7.427 1.00 0.00 O ATOM 990 CB ASN A 62 1.292 2.541 5.983 1.00 0.00 C ATOM 991 CG ASN A 62 2.305 3.359 5.207 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.112 3.663 4.032 1.00 0.00 O ATOM 993 ND2 ASN A 62 3.387 3.733 5.866 1.00 0.00 N ATOM 0 H ASN A 62 0.002 4.542 6.791 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.232 2.775 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.412 2.736 7.049 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.492 1.481 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.099 4.295 5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.510 3.460 6.841 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.778 1.079 5.367 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.770 0.126 5.834 1.00 0.00 C ATOM 1002 C LEU A 63 -2.419 -1.281 5.370 1.00 0.00 C ATOM 1003 O LEU A 63 -2.236 -1.522 4.178 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.154 0.520 5.307 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.304 -0.400 5.713 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.476 -0.411 7.222 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.592 0.030 5.028 1.00 0.00 C ATOM 0 H LEU A 63 -1.661 1.100 4.354 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.782 0.138 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.381 1.529 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.111 0.558 4.219 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.064 -1.414 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.300 -1.072 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.558 -0.767 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.693 0.599 7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.402 -0.635 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.835 1.052 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.463 -0.019 3.947 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.330 -2.200 6.315 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.028 -3.589 6.007 1.00 0.00 C ATOM 1021 C LYS A 64 -3.312 -4.390 5.850 1.00 0.00 C ATOM 1022 O LYS A 64 -4.140 -4.430 6.761 1.00 0.00 O ATOM 1023 CB LYS A 64 -1.178 -4.203 7.121 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.908 -5.686 6.929 1.00 0.00 C ATOM 1025 CD LYS A 64 -0.432 -6.335 8.213 1.00 0.00 C ATOM 1026 CE LYS A 64 -0.469 -7.847 8.103 1.00 0.00 C ATOM 1027 NZ LYS A 64 -0.314 -8.507 9.427 1.00 0.00 N ATOM 0 H LYS A 64 -2.463 -2.009 7.308 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.472 -3.619 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.227 -3.673 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.682 -4.054 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.816 -6.181 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.157 -5.822 6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.584 -6.008 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.060 -6.012 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.413 -8.155 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.326 -8.181 7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.413 -9.536 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.626 -8.289 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.047 -8.157 10.077 1.00 0.00 H new ATOM 1041 N MET A 65 -3.479 -5.015 4.696 1.00 0.00 N ATOM 1042 CA MET A 65 -4.626 -5.879 4.457 1.00 0.00 C ATOM 1043 C MET A 65 -4.179 -7.225 3.907 1.00 0.00 C ATOM 1044 O MET A 65 -3.345 -7.296 3.003 1.00 0.00 O ATOM 1045 CB MET A 65 -5.617 -5.219 3.494 1.00 0.00 C ATOM 1046 CG MET A 65 -6.329 -4.011 4.084 1.00 0.00 C ATOM 1047 SD MET A 65 -7.329 -4.424 5.530 1.00 0.00 S ATOM 1048 CE MET A 65 -8.581 -5.476 4.795 1.00 0.00 C ATOM 0 H MET A 65 -2.835 -4.941 3.909 1.00 0.00 H new ATOM 0 HA MET A 65 -5.128 -6.040 5.411 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.086 -4.912 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.361 -5.956 3.190 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.590 -3.260 4.362 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.968 -3.564 3.322 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.427 -5.565 5.476 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.916 -5.040 3.854 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.161 -6.464 4.607 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.727 -8.292 4.468 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.426 -9.638 3.998 1.00 0.00 C ATOM 1060 C ASP A 66 -5.442 -10.034 2.945 1.00 0.00 C ATOM 1061 O ASP A 66 -6.566 -9.526 2.929 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.481 -10.650 5.144 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.781 -11.960 4.829 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -4.320 -12.748 4.021 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -2.711 -12.226 5.421 1.00 0.00 O ATOM 0 H ASP A 66 -5.382 -8.253 5.249 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.419 -9.639 3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.026 -10.208 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.523 -10.854 5.389 1.00 0.00 H new ATOM 1070 N MET A 67 -5.054 -10.951 2.089 1.00 0.00 N ATOM 1071 CA MET A 67 -5.919 -11.442 1.034 1.00 0.00 C ATOM 1072 C MET A 67 -7.058 -12.288 1.591 1.00 0.00 C ATOM 1073 O MET A 67 -8.134 -12.353 1.001 1.00 0.00 O ATOM 1074 CB MET A 67 -5.098 -12.268 0.060 1.00 0.00 C ATOM 1075 CG MET A 67 -4.198 -11.436 -0.839 1.00 0.00 C ATOM 1076 SD MET A 67 -5.112 -10.218 -1.806 1.00 0.00 S ATOM 1077 CE MET A 67 -3.780 -9.461 -2.733 1.00 0.00 C ATOM 0 H MET A 67 -4.129 -11.380 2.102 1.00 0.00 H new ATOM 0 HA MET A 67 -6.359 -10.584 0.525 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.484 -12.972 0.622 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.772 -12.858 -0.561 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.454 -10.925 -0.228 1.00 0.00 H new ATOM 0 HG3 MET A 67 -3.655 -12.097 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.128 -8.526 -3.172 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.941 -9.260 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.459 -10.136 -3.526 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.830 -12.931 2.729 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.837 -13.813 3.306 1.00 0.00 C ATOM 1089 C GLU A 68 -8.338 -13.283 4.638 1.00 0.00 C ATOM 1090 O GLU A 68 -8.962 -14.014 5.410 1.00 0.00 O ATOM 1091 CB GLU A 68 -7.274 -15.217 3.503 1.00 0.00 C ATOM 1092 CG GLU A 68 -6.744 -15.849 2.232 1.00 0.00 C ATOM 1093 CD GLU A 68 -6.454 -17.324 2.407 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -5.586 -17.672 3.233 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -7.100 -18.149 1.730 1.00 0.00 O ATOM 0 H GLU A 68 -5.966 -12.860 3.266 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.673 -13.852 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.471 -15.176 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.054 -15.856 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.471 -15.716 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.833 -15.335 1.925 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.070 -12.016 4.906 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.506 -11.393 6.149 1.00 0.00 C ATOM 1104 C LYS A 69 -9.647 -10.415 5.894 1.00 0.00 C ATOM 1105 O LYS A 69 -9.453 -9.376 5.261 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.335 -10.678 6.834 1.00 0.00 C ATOM 1107 CG LYS A 69 -7.722 -9.915 8.094 1.00 0.00 C ATOM 1108 CD LYS A 69 -8.275 -10.835 9.172 1.00 0.00 C ATOM 1109 CE LYS A 69 -7.211 -11.775 9.711 1.00 0.00 C ATOM 1110 NZ LYS A 69 -7.756 -12.684 10.755 1.00 0.00 N ATOM 0 H LYS A 69 -7.553 -11.397 4.281 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.869 -12.179 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.573 -11.414 7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.884 -9.983 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.850 -9.388 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.467 -9.159 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.679 -10.237 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.102 -11.417 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.800 -12.366 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.389 -11.193 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.000 -13.310 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.126 -12.121 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.523 -13.257 10.350 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.829 -10.772 6.382 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.987 -9.904 6.283 1.00 0.00 C ATOM 1126 C GLY A 70 -12.304 -9.488 4.862 1.00 0.00 C ATOM 1127 O GLY A 70 -12.588 -10.328 4.005 1.00 0.00 O ATOM 0 H GLY A 70 -11.007 -11.660 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.852 -10.414 6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.816 -9.012 6.886 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.231 -8.187 4.615 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.594 -7.614 3.323 1.00 0.00 C ATOM 1133 C GLU A 71 -11.555 -7.938 2.253 1.00 0.00 C ATOM 1134 O GLU A 71 -11.746 -7.604 1.085 1.00 0.00 O ATOM 1135 CB GLU A 71 -12.750 -6.091 3.432 1.00 0.00 C ATOM 1136 CG GLU A 71 -13.904 -5.627 4.313 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.745 -6.030 5.764 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -12.760 -5.603 6.401 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -14.599 -6.787 6.270 1.00 0.00 O ATOM 0 H GLU A 71 -11.920 -7.500 5.301 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.545 -8.059 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.822 -5.672 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.888 -5.682 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.987 -4.542 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.836 -6.040 3.928 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.467 -8.588 2.656 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.408 -8.940 1.723 1.00 0.00 C ATOM 1148 C GLY A 72 -9.906 -9.751 0.545 1.00 0.00 C ATOM 1149 O GLY A 72 -9.520 -9.501 -0.597 1.00 0.00 O ATOM 0 H GLY A 72 -10.298 -8.879 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.936 -8.029 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.640 -9.507 2.250 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.778 -10.713 0.821 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.329 -11.565 -0.229 1.00 0.00 C ATOM 1155 C VAL A 73 -12.223 -10.758 -1.167 1.00 0.00 C ATOM 1156 O VAL A 73 -12.270 -11.009 -2.374 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.123 -12.760 0.350 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -11.197 -13.705 1.100 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -13.250 -12.285 1.261 1.00 0.00 C ATOM 0 H VAL A 73 -11.119 -10.923 1.759 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.484 -11.963 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.570 -13.299 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.774 -14.539 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.435 -14.084 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.717 -13.170 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.790 -13.147 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.832 -11.712 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.935 -11.655 0.694 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.912 -9.771 -0.607 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.778 -8.904 -1.389 1.00 0.00 C ATOM 1171 C GLU A 74 -12.942 -8.014 -2.295 1.00 0.00 C ATOM 1172 O GLU A 74 -13.216 -7.894 -3.488 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.643 -8.039 -0.472 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.582 -8.836 0.424 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.464 -7.949 1.278 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.415 -7.347 0.734 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.213 -7.846 2.494 1.00 0.00 O ATOM 0 H GLU A 74 -12.886 -9.553 0.389 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.431 -9.528 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.993 -7.427 0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.233 -7.356 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.209 -9.479 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.995 -9.489 1.070 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.914 -7.406 -1.718 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.033 -6.511 -2.457 1.00 0.00 C ATOM 1186 C LEU A 75 -10.317 -7.255 -3.580 1.00 0.00 C ATOM 1187 O LEU A 75 -10.238 -6.765 -4.706 1.00 0.00 O ATOM 1188 CB LEU A 75 -10.010 -5.872 -1.513 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.602 -5.026 -0.379 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -9.501 -4.490 0.526 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.432 -3.879 -0.942 1.00 0.00 C ATOM 0 H LEU A 75 -11.669 -7.517 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.644 -5.725 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.402 -6.663 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.341 -5.244 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.254 -5.665 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.944 -3.893 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.949 -5.324 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.821 -3.869 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.843 -3.291 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.801 -3.244 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.247 -4.281 -1.544 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.822 -8.449 -3.277 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.086 -9.242 -4.253 1.00 0.00 C ATOM 1205 C ARG A 76 -9.944 -9.555 -5.474 1.00 0.00 C ATOM 1206 O ARG A 76 -9.483 -9.448 -6.610 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.572 -10.535 -3.621 1.00 0.00 C ATOM 1208 CG ARG A 76 -7.726 -11.366 -4.569 1.00 0.00 C ATOM 1209 CD ARG A 76 -7.039 -12.517 -3.854 1.00 0.00 C ATOM 1210 NE ARG A 76 -7.980 -13.515 -3.356 1.00 0.00 N ATOM 1211 CZ ARG A 76 -7.745 -14.827 -3.385 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -6.623 -15.287 -3.936 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -8.635 -15.671 -2.885 1.00 0.00 N ATOM 0 H ARG A 76 -9.917 -8.889 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.232 -8.650 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.983 -10.291 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.421 -11.130 -3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.355 -11.759 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.975 -10.730 -5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.336 -12.995 -4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.457 -12.125 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.865 -13.192 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.946 -14.636 -4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.440 -16.290 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.501 -15.317 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.455 -16.675 -2.907 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.196 -9.927 -5.239 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.111 -10.243 -6.329 1.00 0.00 C ATOM 1229 C LYS A 77 -12.603 -8.966 -7.003 1.00 0.00 C ATOM 1230 O LYS A 77 -13.000 -8.978 -8.169 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.297 -11.068 -5.818 1.00 0.00 C ATOM 1232 CG LYS A 77 -12.901 -12.435 -5.275 1.00 0.00 C ATOM 1233 CD LYS A 77 -12.312 -13.330 -6.359 1.00 0.00 C ATOM 1234 CE LYS A 77 -13.353 -13.724 -7.397 1.00 0.00 C ATOM 1235 NZ LYS A 77 -14.410 -14.607 -6.831 1.00 0.00 N ATOM 0 H LYS A 77 -11.600 -10.017 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.571 -10.837 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.807 -10.509 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.012 -11.202 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.174 -12.310 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.775 -12.920 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.488 -12.812 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.897 -14.228 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.814 -12.825 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.862 -14.234 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.986 -14.998 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.966 -15.385 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.017 -14.056 -6.192 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.562 -7.867 -6.261 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.999 -6.572 -6.767 1.00 0.00 C ATOM 1251 C LYS A 78 -12.015 -6.020 -7.791 1.00 0.00 C ATOM 1252 O LYS A 78 -12.408 -5.621 -8.886 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.157 -5.584 -5.604 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.293 -4.124 -6.028 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.554 -3.877 -6.841 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.808 -4.104 -6.017 1.00 0.00 C ATOM 1257 NZ LYS A 78 -17.037 -3.841 -6.809 1.00 0.00 N ATOM 0 H LYS A 78 -12.227 -7.847 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.961 -6.706 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.036 -5.864 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.295 -5.679 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.304 -3.490 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.422 -3.835 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.548 -2.855 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.563 -4.538 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.823 -5.131 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.792 -3.454 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.875 -4.006 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.034 -2.854 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.064 -4.479 -7.630 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.738 -6.010 -7.438 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.719 -5.431 -8.303 1.00 0.00 C ATOM 1273 C TYR A 79 -9.136 -6.478 -9.240 1.00 0.00 C ATOM 1274 O TYR A 79 -8.354 -6.153 -10.136 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.615 -4.785 -7.465 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.126 -3.675 -6.573 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.293 -2.383 -7.060 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.456 -3.920 -5.248 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -9.778 -1.374 -6.250 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.939 -2.917 -4.434 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.097 -1.646 -4.939 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.581 -0.643 -4.129 1.00 0.00 O ATOM 0 H TYR A 79 -10.383 -6.394 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.190 -4.661 -8.914 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.139 -5.549 -6.850 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.848 -4.387 -8.129 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.040 -2.165 -8.087 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.332 -4.915 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.906 -0.377 -6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.192 -3.128 -3.405 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.652 -0.971 -3.208 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.525 -7.733 -9.022 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.089 -8.819 -9.876 1.00 0.00 C ATOM 1294 C GLY A 80 -7.585 -8.934 -9.928 1.00 0.00 C ATOM 1295 O GLY A 80 -7.001 -9.059 -11.007 1.00 0.00 O ATOM 0 H GLY A 80 -10.141 -8.016 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.511 -9.756 -9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.475 -8.664 -10.884 1.00 0.00 H new ATOM 1299 N VAL A 81 -6.956 -8.877 -8.766 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.507 -8.909 -8.688 1.00 0.00 C ATOM 1301 C VAL A 81 -4.970 -10.314 -8.953 1.00 0.00 C ATOM 1302 O VAL A 81 -5.325 -11.281 -8.274 1.00 0.00 O ATOM 1303 CB VAL A 81 -4.986 -8.378 -7.330 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.606 -9.131 -6.162 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -3.469 -8.455 -7.268 1.00 0.00 C ATOM 0 H VAL A 81 -7.427 -8.808 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.135 -8.244 -9.467 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.285 -7.333 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.218 -8.732 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.689 -9.012 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.356 -10.189 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.125 -8.077 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.152 -9.491 -7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.041 -7.852 -8.069 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.140 -10.419 -9.979 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.482 -11.674 -10.317 1.00 0.00 C ATOM 1317 C HIS A 82 -1.997 -11.567 -9.998 1.00 0.00 C ATOM 1318 O HIS A 82 -1.201 -12.444 -10.341 1.00 0.00 O ATOM 1319 CB HIS A 82 -3.670 -12.001 -11.803 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.095 -11.945 -12.263 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -5.519 -11.132 -13.293 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -6.198 -12.604 -11.831 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -6.816 -11.293 -13.472 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -7.254 -12.182 -12.600 1.00 0.00 N ATOM 0 H HIS A 82 -3.904 -9.643 -10.598 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.929 -12.475 -9.729 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.080 -11.302 -12.396 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.275 -12.998 -11.998 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.239 -13.327 -11.030 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.419 -10.783 -14.209 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.218 -12.503 -12.512 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.634 -10.476 -9.342 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.250 -10.213 -8.995 1.00 0.00 C ATOM 1335 C ALA A 83 0.009 -10.519 -7.527 1.00 0.00 C ATOM 1336 O ALA A 83 -0.891 -10.938 -6.797 1.00 0.00 O ATOM 1337 CB ALA A 83 0.102 -8.767 -9.310 1.00 0.00 C ATOM 0 H ALA A 83 -2.287 -9.754 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 83 0.386 -10.867 -9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.143 -8.580 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.041 -8.581 -10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.543 -8.102 -8.736 1.00 0.00 H new ATOM 1343 N TYR A 84 1.241 -10.305 -7.098 1.00 0.00 N ATOM 1344 CA TYR A 84 1.630 -10.599 -5.726 1.00 0.00 C ATOM 1345 C TYR A 84 1.537 -9.349 -4.847 1.00 0.00 C ATOM 1346 O TYR A 84 0.863 -9.376 -3.818 1.00 0.00 O ATOM 1347 CB TYR A 84 3.040 -11.188 -5.690 1.00 0.00 C ATOM 1348 CG TYR A 84 3.242 -12.301 -6.694 1.00 0.00 C ATOM 1349 CD1 TYR A 84 2.710 -13.563 -6.474 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.946 -12.082 -7.872 1.00 0.00 C ATOM 1351 CE1 TYR A 84 2.880 -14.579 -7.393 1.00 0.00 C ATOM 1352 CE2 TYR A 84 4.117 -13.091 -8.799 1.00 0.00 C ATOM 1353 CZ TYR A 84 3.581 -14.338 -8.554 1.00 0.00 C ATOM 1354 OH TYR A 84 3.748 -15.349 -9.476 1.00 0.00 O ATOM 0 H TYR A 84 1.990 -9.929 -7.679 1.00 0.00 H new ATOM 0 HA TYR A 84 0.936 -11.338 -5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.764 -10.396 -5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.243 -11.568 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.153 -13.754 -5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.366 -11.106 -8.066 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.465 -15.558 -7.203 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.667 -12.905 -9.710 1.00 0.00 H new ATOM 0 HH TYR A 84 4.264 -15.014 -10.239 1.00 0.00 H new ATOM 1364 N PRO A 85 2.217 -8.239 -5.209 1.00 0.00 N ATOM 1365 CA PRO A 85 2.093 -6.984 -4.486 1.00 0.00 C ATOM 1366 C PRO A 85 0.937 -6.148 -5.028 1.00 0.00 C ATOM 1367 O PRO A 85 0.825 -5.950 -6.241 1.00 0.00 O ATOM 1368 CB PRO A 85 3.435 -6.280 -4.747 1.00 0.00 C ATOM 1369 CG PRO A 85 4.170 -7.130 -5.741 1.00 0.00 C ATOM 1370 CD PRO A 85 3.171 -8.096 -6.312 1.00 0.00 C ATOM 0 HA PRO A 85 1.885 -7.131 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.277 -5.274 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.007 -6.178 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.606 -6.515 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.991 -7.662 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.697 -7.707 -7.213 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.631 -9.047 -6.579 1.00 0.00 H new ATOM 1378 N THR A 86 0.072 -5.670 -4.150 1.00 0.00 N ATOM 1379 CA THR A 86 -1.058 -4.872 -4.583 1.00 0.00 C ATOM 1380 C THR A 86 -1.119 -3.557 -3.817 1.00 0.00 C ATOM 1381 O THR A 86 -1.486 -3.529 -2.642 1.00 0.00 O ATOM 1382 CB THR A 86 -2.379 -5.636 -4.387 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.211 -7.005 -4.780 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.499 -5.007 -5.204 1.00 0.00 C ATOM 0 H THR A 86 0.130 -5.819 -3.143 1.00 0.00 H new ATOM 0 HA THR A 86 -0.922 -4.662 -5.644 1.00 0.00 H new ATOM 0 HB THR A 86 -2.649 -5.586 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.548 -7.060 -5.500 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.422 -5.566 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.643 -3.974 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.235 -5.030 -6.261 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.746 -2.474 -4.482 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.829 -1.150 -3.891 1.00 0.00 C ATOM 1394 C LEU A 87 -2.123 -0.479 -4.326 1.00 0.00 C ATOM 1395 O LEU A 87 -2.518 -0.568 -5.490 1.00 0.00 O ATOM 1396 CB LEU A 87 0.376 -0.300 -4.298 1.00 0.00 C ATOM 1397 CG LEU A 87 1.743 -0.871 -3.905 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.858 0.081 -4.314 1.00 0.00 C ATOM 1399 CD2 LEU A 87 1.800 -1.150 -2.410 1.00 0.00 C ATOM 0 H LEU A 87 -0.382 -2.488 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.822 -1.246 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.355 -0.163 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.271 0.688 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 87 1.884 -1.814 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.821 -0.342 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.834 0.227 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.719 1.040 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.779 -1.555 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.634 -0.223 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.028 -1.872 -2.145 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.782 0.186 -3.393 1.00 0.00 N ATOM 1412 CA LEU A 88 -4.110 0.720 -3.641 1.00 0.00 C ATOM 1413 C LEU A 88 -4.232 2.147 -3.126 1.00 0.00 C ATOM 1414 O LEU A 88 -3.902 2.432 -1.973 1.00 0.00 O ATOM 1415 CB LEU A 88 -5.146 -0.171 -2.963 1.00 0.00 C ATOM 1416 CG LEU A 88 -6.584 0.034 -3.412 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.720 -0.296 -4.890 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -7.521 -0.828 -2.580 1.00 0.00 C ATOM 0 H LEU A 88 -2.420 0.369 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.285 0.736 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.874 -1.212 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.093 -0.005 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.857 1.079 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.753 -0.146 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.067 0.356 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.437 -1.335 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.548 -0.673 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.255 -1.878 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.432 -0.552 -1.529 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.699 3.034 -3.990 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.891 4.431 -3.630 1.00 0.00 C ATOM 1432 C PHE A 89 -6.378 4.762 -3.570 1.00 0.00 C ATOM 1433 O PHE A 89 -7.046 4.867 -4.603 1.00 0.00 O ATOM 1434 CB PHE A 89 -4.194 5.343 -4.645 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.710 5.127 -4.742 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -2.197 4.092 -5.507 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.829 5.959 -4.072 1.00 0.00 C ATOM 1438 CE1 PHE A 89 -0.835 3.891 -5.602 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.465 5.763 -4.163 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.032 4.727 -4.930 1.00 0.00 C ATOM 0 H PHE A 89 -4.954 2.810 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.452 4.598 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.639 5.183 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.383 6.382 -4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.871 3.434 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.213 6.770 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.449 3.080 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.212 6.419 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.098 4.572 -5.003 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.896 4.922 -2.360 1.00 0.00 N ATOM 1451 CA ILE A 90 -8.309 5.213 -2.168 1.00 0.00 C ATOM 1452 C ILE A 90 -8.496 6.617 -1.601 1.00 0.00 C ATOM 1453 O ILE A 90 -7.824 7.005 -0.641 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.974 4.189 -1.220 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.777 2.764 -1.744 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -10.458 4.497 -1.053 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -9.385 1.702 -0.851 1.00 0.00 C ATOM 0 H ILE A 90 -6.358 4.855 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.788 5.147 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.496 4.266 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.217 2.687 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.710 2.569 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.908 3.765 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.577 5.496 -0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.951 4.450 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.207 0.717 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.928 1.752 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -10.458 1.871 -0.763 1.00 0.00 H new ATOM 1469 N ASN A 91 -9.405 7.381 -2.193 1.00 0.00 N ATOM 1470 CA ASN A 91 -9.690 8.724 -1.709 1.00 0.00 C ATOM 1471 C ASN A 91 -10.603 8.658 -0.485 1.00 0.00 C ATOM 1472 O ASN A 91 -11.123 7.593 -0.147 1.00 0.00 O ATOM 1473 CB ASN A 91 -10.318 9.599 -2.810 1.00 0.00 C ATOM 1474 CG ASN A 91 -11.608 9.035 -3.386 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -12.360 8.331 -2.715 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -11.879 9.359 -4.640 1.00 0.00 N ATOM 0 H ASN A 91 -9.954 7.095 -3.004 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.746 9.188 -1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.517 10.591 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.596 9.724 -3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.735 9.022 -5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.232 9.945 -5.167 1.00 0.00 H new ATOM 1483 N SER A 92 -10.812 9.798 0.164 1.00 0.00 N ATOM 1484 CA SER A 92 -11.615 9.857 1.384 1.00 0.00 C ATOM 1485 C SER A 92 -13.108 9.699 1.088 1.00 0.00 C ATOM 1486 O SER A 92 -13.936 9.695 2.001 1.00 0.00 O ATOM 1487 CB SER A 92 -11.351 11.175 2.108 1.00 0.00 C ATOM 1488 OG SER A 92 -9.961 11.357 2.327 1.00 0.00 O ATOM 0 H SER A 92 -10.436 10.698 -0.134 1.00 0.00 H new ATOM 0 HA SER A 92 -11.322 9.025 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.743 12.004 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.879 11.184 3.062 1.00 0.00 H new ATOM 0 HG SER A 92 -9.811 12.207 2.790 1.00 0.00 H new ATOM 1494 N SER A 93 -13.441 9.566 -0.189 1.00 0.00 N ATOM 1495 CA SER A 93 -14.819 9.364 -0.604 1.00 0.00 C ATOM 1496 C SER A 93 -15.154 7.875 -0.585 1.00 0.00 C ATOM 1497 O SER A 93 -16.286 7.491 -0.300 1.00 0.00 O ATOM 1498 CB SER A 93 -15.038 9.951 -2.004 1.00 0.00 C ATOM 1499 OG SER A 93 -16.397 9.872 -2.406 1.00 0.00 O ATOM 0 H SER A 93 -12.771 9.595 -0.957 1.00 0.00 H new ATOM 0 HA SER A 93 -15.482 9.878 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.716 10.992 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.416 9.418 -2.722 1.00 0.00 H new ATOM 0 HG SER A 93 -16.496 10.257 -3.302 1.00 0.00 H new ATOM 1505 N GLY A 94 -14.160 7.043 -0.862 1.00 0.00 N ATOM 1506 CA GLY A 94 -14.379 5.611 -0.880 1.00 0.00 C ATOM 1507 C GLY A 94 -14.195 5.015 -2.261 1.00 0.00 C ATOM 1508 O GLY A 94 -14.598 3.878 -2.514 1.00 0.00 O ATOM 0 H GLY A 94 -13.206 7.334 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.689 5.132 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.387 5.396 -0.526 1.00 0.00 H new ATOM 1512 N GLU A 95 -13.591 5.787 -3.160 1.00 0.00 N ATOM 1513 CA GLU A 95 -13.328 5.323 -4.515 1.00 0.00 C ATOM 1514 C GLU A 95 -11.830 5.184 -4.749 1.00 0.00 C ATOM 1515 O GLU A 95 -11.030 5.934 -4.182 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.918 6.288 -5.546 1.00 0.00 C ATOM 1517 CG GLU A 95 -15.434 6.382 -5.507 1.00 0.00 C ATOM 1518 CD GLU A 95 -15.987 7.266 -6.606 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -16.041 6.809 -7.771 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -16.356 8.422 -6.318 1.00 0.00 O ATOM 0 H GLU A 95 -13.275 6.738 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.802 4.349 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.498 7.280 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.609 5.972 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.860 5.383 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.746 6.773 -4.539 1.00 0.00 H new ATOM 1527 N VAL A 96 -11.451 4.228 -5.585 1.00 0.00 N ATOM 1528 CA VAL A 96 -10.051 4.022 -5.922 1.00 0.00 C ATOM 1529 C VAL A 96 -9.644 4.918 -7.091 1.00 0.00 C ATOM 1530 O VAL A 96 -10.320 4.974 -8.120 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.751 2.540 -6.263 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -10.638 2.043 -7.395 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -8.280 2.355 -6.609 1.00 0.00 C ATOM 0 H VAL A 96 -12.095 3.582 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.464 4.288 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.974 1.942 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.403 1.001 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.684 2.126 -7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.463 2.646 -8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.091 1.308 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.029 2.973 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.666 2.652 -5.759 1.00 0.00 H new ATOM 1543 N VAL A 97 -8.545 5.634 -6.919 1.00 0.00 N ATOM 1544 CA VAL A 97 -8.046 6.514 -7.963 1.00 0.00 C ATOM 1545 C VAL A 97 -7.022 5.784 -8.825 1.00 0.00 C ATOM 1546 O VAL A 97 -7.046 5.876 -10.054 1.00 0.00 O ATOM 1547 CB VAL A 97 -7.410 7.792 -7.374 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -6.979 8.742 -8.481 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -8.379 8.482 -6.422 1.00 0.00 C ATOM 0 H VAL A 97 -7.982 5.623 -6.068 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.897 6.809 -8.577 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.522 7.502 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.534 9.635 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.247 8.248 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.847 9.025 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.913 9.380 -6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -9.286 8.755 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.632 7.805 -5.606 1.00 0.00 H new ATOM 1559 N TYR A 98 -6.143 5.034 -8.176 1.00 0.00 N ATOM 1560 CA TYR A 98 -5.110 4.292 -8.882 1.00 0.00 C ATOM 1561 C TYR A 98 -4.847 2.953 -8.201 1.00 0.00 C ATOM 1562 O TYR A 98 -4.808 2.864 -6.970 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.819 5.118 -8.952 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.698 4.449 -9.724 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.701 4.422 -11.113 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.632 3.857 -9.061 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.673 3.824 -11.819 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.601 3.255 -9.760 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.625 3.241 -11.138 1.00 0.00 C ATOM 1570 OH TYR A 98 0.405 2.645 -11.836 1.00 0.00 O ATOM 0 H TYR A 98 -6.125 4.924 -7.162 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.458 4.097 -9.896 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.040 6.080 -9.414 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.476 5.323 -7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.520 4.876 -11.651 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.607 3.866 -7.981 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.691 3.814 -12.899 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.220 2.798 -9.228 1.00 0.00 H new ATOM 0 HH TYR A 98 1.263 2.978 -11.500 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.695 1.915 -9.007 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.347 0.595 -8.509 1.00 0.00 C ATOM 1582 C ARG A 99 -3.014 0.162 -9.111 1.00 0.00 C ATOM 1583 O ARG A 99 -2.780 0.339 -10.308 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.437 -0.425 -8.864 1.00 0.00 C ATOM 1585 CG ARG A 99 -5.620 -0.600 -10.360 1.00 0.00 C ATOM 1586 CD ARG A 99 -6.566 -1.736 -10.705 1.00 0.00 C ATOM 1587 NE ARG A 99 -6.520 -2.040 -12.133 1.00 0.00 N ATOM 1588 CZ ARG A 99 -7.273 -2.960 -12.733 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -8.146 -3.672 -12.033 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -7.143 -3.174 -14.037 1.00 0.00 N ATOM 0 H ARG A 99 -4.809 1.963 -10.020 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.262 0.640 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.185 -1.388 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.382 -0.108 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.002 0.328 -10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.650 -0.787 -10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.298 -2.624 -10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.583 -1.467 -10.419 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.866 -1.511 -12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.243 -3.516 -11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.720 -4.375 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.467 -2.634 -14.578 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.719 -3.878 -14.498 1.00 0.00 H new ATOM 1604 N LEU A 100 -2.138 -0.388 -8.291 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.844 -0.840 -8.774 1.00 0.00 C ATOM 1606 C LEU A 100 -0.608 -2.294 -8.392 1.00 0.00 C ATOM 1607 O LEU A 100 -0.373 -2.615 -7.225 1.00 0.00 O ATOM 1608 CB LEU A 100 0.274 0.046 -8.220 1.00 0.00 C ATOM 1609 CG LEU A 100 1.684 -0.295 -8.711 1.00 0.00 C ATOM 1610 CD1 LEU A 100 1.779 -0.153 -10.223 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.712 0.593 -8.029 1.00 0.00 C ATOM 0 H LEU A 100 -2.296 -0.533 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.839 -0.765 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.057 1.082 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.261 -0.018 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 100 1.894 -1.333 -8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.789 -0.400 -10.549 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.069 -0.830 -10.697 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.547 0.873 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.709 0.338 -8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.500 1.637 -8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.666 0.441 -6.951 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.684 -3.170 -9.379 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.425 -4.586 -9.167 1.00 0.00 C ATOM 1625 C VAL A 101 0.968 -4.944 -9.672 1.00 0.00 C ATOM 1626 O VAL A 101 1.299 -4.716 -10.836 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.491 -5.478 -9.851 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -2.823 -5.364 -9.125 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.659 -5.108 -11.320 1.00 0.00 C ATOM 0 H VAL A 101 -0.924 -2.925 -10.340 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.481 -4.776 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.147 -6.511 -9.799 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.561 -5.997 -9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.702 -5.686 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.161 -4.328 -9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.414 -5.751 -11.773 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.974 -4.067 -11.399 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.710 -5.241 -11.839 1.00 0.00 H new ATOM 1639 N GLY A 102 1.788 -5.482 -8.789 1.00 0.00 N ATOM 1640 CA GLY A 102 3.161 -5.771 -9.137 1.00 0.00 C ATOM 1641 C GLY A 102 4.083 -4.665 -8.680 1.00 0.00 C ATOM 1642 O GLY A 102 3.672 -3.505 -8.591 1.00 0.00 O ATOM 0 H GLY A 102 1.528 -5.725 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.464 -6.713 -8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.247 -5.897 -10.216 1.00 0.00 H new ATOM 1646 N ALA A 103 5.323 -5.011 -8.376 1.00 0.00 N ATOM 1647 CA ALA A 103 6.271 -4.036 -7.857 1.00 0.00 C ATOM 1648 C ALA A 103 7.706 -4.422 -8.184 1.00 0.00 C ATOM 1649 O ALA A 103 8.064 -5.600 -8.158 1.00 0.00 O ATOM 1650 CB ALA A 103 6.103 -3.888 -6.352 1.00 0.00 C ATOM 0 H ALA A 103 5.696 -5.955 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 103 6.061 -3.081 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.818 -3.156 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.090 -3.553 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.281 -4.849 -5.870 1.00 0.00 H new ATOM 1656 N GLU A 104 8.513 -3.424 -8.501 1.00 0.00 N ATOM 1657 CA GLU A 104 9.939 -3.618 -8.714 1.00 0.00 C ATOM 1658 C GLU A 104 10.706 -3.166 -7.469 1.00 0.00 C ATOM 1659 O GLU A 104 10.090 -2.851 -6.449 1.00 0.00 O ATOM 1660 CB GLU A 104 10.402 -2.860 -9.965 1.00 0.00 C ATOM 1661 CG GLU A 104 9.780 -3.389 -11.250 1.00 0.00 C ATOM 1662 CD GLU A 104 10.412 -2.813 -12.503 1.00 0.00 C ATOM 1663 OE1 GLU A 104 11.454 -3.342 -12.944 1.00 0.00 O ATOM 1664 OE2 GLU A 104 9.855 -1.851 -13.072 1.00 0.00 O ATOM 0 H GLU A 104 8.201 -2.460 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 104 10.142 -4.676 -8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.153 -1.805 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.487 -2.925 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.873 -4.475 -11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.714 -3.160 -11.251 1.00 0.00 H new ATOM 1671 N ASP A 105 12.037 -3.162 -7.535 1.00 0.00 N ATOM 1672 CA ASP A 105 12.864 -2.777 -6.383 1.00 0.00 C ATOM 1673 C ASP A 105 12.569 -1.351 -5.921 1.00 0.00 C ATOM 1674 O ASP A 105 11.893 -0.586 -6.614 1.00 0.00 O ATOM 1675 CB ASP A 105 14.360 -2.923 -6.689 1.00 0.00 C ATOM 1676 CG ASP A 105 14.832 -4.365 -6.706 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.841 -5.009 -5.636 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.221 -4.853 -7.790 1.00 0.00 O ATOM 0 H ASP A 105 12.567 -3.419 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 105 12.604 -3.461 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.572 -2.467 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.932 -2.370 -5.944 1.00 0.00 H new ATOM 1683 N ALA A 106 13.125 -0.995 -4.761 1.00 0.00 N ATOM 1684 CA ALA A 106 12.771 0.238 -4.053 1.00 0.00 C ATOM 1685 C ALA A 106 12.707 1.486 -4.951 1.00 0.00 C ATOM 1686 O ALA A 106 11.655 2.128 -5.011 1.00 0.00 O ATOM 1687 CB ALA A 106 13.714 0.468 -2.879 1.00 0.00 C ATOM 0 H ALA A 106 13.834 -1.553 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 106 11.756 0.089 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.437 1.388 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.644 -0.371 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.737 0.551 -3.245 1.00 0.00 H new ATOM 1693 N PRO A 107 13.794 1.854 -5.669 1.00 0.00 N ATOM 1694 CA PRO A 107 13.818 3.099 -6.453 1.00 0.00 C ATOM 1695 C PRO A 107 12.769 3.113 -7.560 1.00 0.00 C ATOM 1696 O PRO A 107 12.070 4.107 -7.766 1.00 0.00 O ATOM 1697 CB PRO A 107 15.225 3.125 -7.063 1.00 0.00 C ATOM 1698 CG PRO A 107 16.025 2.172 -6.244 1.00 0.00 C ATOM 1699 CD PRO A 107 15.063 1.112 -5.801 1.00 0.00 C ATOM 0 HA PRO A 107 13.593 3.964 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.205 2.824 -8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.651 4.128 -7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.840 1.743 -6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.476 2.674 -5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.986 0.306 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.367 0.660 -4.857 1.00 0.00 H new ATOM 1707 N GLU A 108 12.652 1.993 -8.258 1.00 0.00 N ATOM 1708 CA GLU A 108 11.746 1.887 -9.385 1.00 0.00 C ATOM 1709 C GLU A 108 10.298 1.820 -8.911 1.00 0.00 C ATOM 1710 O GLU A 108 9.393 2.318 -9.582 1.00 0.00 O ATOM 1711 CB GLU A 108 12.112 0.662 -10.218 1.00 0.00 C ATOM 1712 CG GLU A 108 13.576 0.649 -10.625 1.00 0.00 C ATOM 1713 CD GLU A 108 13.924 -0.463 -11.590 1.00 0.00 C ATOM 1714 OE1 GLU A 108 13.810 -0.245 -12.817 1.00 0.00 O ATOM 1715 OE2 GLU A 108 14.331 -1.550 -11.134 1.00 0.00 O ATOM 0 H GLU A 108 13.178 1.142 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 108 11.843 2.776 -10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.889 -0.240 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.490 0.636 -11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.827 1.607 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.192 0.550 -9.732 1.00 0.00 H new ATOM 1722 N LEU A 109 10.092 1.209 -7.748 1.00 0.00 N ATOM 1723 CA LEU A 109 8.776 1.180 -7.116 1.00 0.00 C ATOM 1724 C LEU A 109 8.354 2.583 -6.721 1.00 0.00 C ATOM 1725 O LEU A 109 7.256 3.029 -7.044 1.00 0.00 O ATOM 1726 CB LEU A 109 8.799 0.299 -5.867 1.00 0.00 C ATOM 1727 CG LEU A 109 7.474 0.205 -5.099 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.356 -0.312 -5.993 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.638 -0.693 -3.883 1.00 0.00 C ATOM 0 H LEU A 109 10.821 0.726 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 109 8.065 0.770 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.102 -0.707 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.565 0.678 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 109 7.201 1.207 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.430 -0.368 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.222 0.365 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.615 -1.304 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.692 -0.753 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.936 -1.691 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.403 -0.280 -3.226 1.00 0.00 H new ATOM 1741 N LEU A 110 9.242 3.264 -6.013 1.00 0.00 N ATOM 1742 CA LEU A 110 8.994 4.632 -5.562 1.00 0.00 C ATOM 1743 C LEU A 110 8.625 5.531 -6.742 1.00 0.00 C ATOM 1744 O LEU A 110 7.656 6.291 -6.683 1.00 0.00 O ATOM 1745 CB LEU A 110 10.230 5.182 -4.847 1.00 0.00 C ATOM 1746 CG LEU A 110 10.084 6.596 -4.279 1.00 0.00 C ATOM 1747 CD1 LEU A 110 8.963 6.651 -3.256 1.00 0.00 C ATOM 1748 CD2 LEU A 110 11.391 7.059 -3.656 1.00 0.00 C ATOM 0 H LEU A 110 10.150 2.891 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 110 8.157 4.619 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.488 4.506 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.067 5.174 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 110 9.834 7.268 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.877 7.665 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.024 6.363 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.183 5.964 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.268 8.066 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.670 6.381 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.174 7.062 -4.414 1.00 0.00 H new ATOM 1760 N LYS A 111 9.395 5.415 -7.817 1.00 0.00 N ATOM 1761 CA LYS A 111 9.147 6.179 -9.033 1.00 0.00 C ATOM 1762 C LYS A 111 7.789 5.816 -9.633 1.00 0.00 C ATOM 1763 O LYS A 111 7.060 6.683 -10.116 1.00 0.00 O ATOM 1764 CB LYS A 111 10.260 5.917 -10.050 1.00 0.00 C ATOM 1765 CG LYS A 111 10.106 6.696 -11.349 1.00 0.00 C ATOM 1766 CD LYS A 111 11.253 6.413 -12.308 1.00 0.00 C ATOM 1767 CE LYS A 111 11.096 7.188 -13.606 1.00 0.00 C ATOM 1768 NZ LYS A 111 12.228 6.944 -14.539 1.00 0.00 N ATOM 0 H LYS A 111 10.202 4.794 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 111 9.137 7.239 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.219 6.170 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.287 4.851 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.161 6.432 -11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.067 7.763 -11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.198 6.680 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.294 5.345 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 111 10.161 6.903 -14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.030 8.254 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.083 7.491 -15.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.118 7.239 -14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.276 5.931 -14.769 1.00 0.00 H new ATOM 1782 N LYS A 112 7.445 4.534 -9.576 1.00 0.00 N ATOM 1783 CA LYS A 112 6.193 4.052 -10.143 1.00 0.00 C ATOM 1784 C LYS A 112 5.004 4.563 -9.337 1.00 0.00 C ATOM 1785 O LYS A 112 3.965 4.920 -9.900 1.00 0.00 O ATOM 1786 CB LYS A 112 6.182 2.526 -10.186 1.00 0.00 C ATOM 1787 CG LYS A 112 5.195 1.962 -11.189 1.00 0.00 C ATOM 1788 CD LYS A 112 5.409 2.575 -12.563 1.00 0.00 C ATOM 1789 CE LYS A 112 4.619 1.855 -13.640 1.00 0.00 C ATOM 1790 NZ LYS A 112 4.815 2.494 -14.965 1.00 0.00 N ATOM 0 H LYS A 112 8.017 3.810 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 112 6.110 4.433 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.182 2.169 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.941 2.143 -9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.308 0.879 -11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.177 2.158 -10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.116 3.625 -12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.470 2.545 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.930 0.811 -13.687 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.560 1.861 -13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.264 1.982 -15.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.496 3.483 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.823 2.466 -15.218 1.00 0.00 H new ATOM 1804 N VAL A 113 5.167 4.599 -8.020 1.00 0.00 N ATOM 1805 CA VAL A 113 4.138 5.121 -7.128 1.00 0.00 C ATOM 1806 C VAL A 113 3.906 6.603 -7.390 1.00 0.00 C ATOM 1807 O VAL A 113 2.765 7.054 -7.515 1.00 0.00 O ATOM 1808 CB VAL A 113 4.521 4.915 -5.644 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.496 5.556 -4.719 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.662 3.437 -5.329 1.00 0.00 C ATOM 0 H VAL A 113 6.007 4.271 -7.544 1.00 0.00 H new ATOM 0 HA VAL A 113 3.220 4.569 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 113 5.482 5.402 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.791 5.395 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.444 6.626 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.518 5.106 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.932 3.313 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.716 2.932 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.440 3.004 -5.958 1.00 0.00 H new ATOM 1820 N LYS A 114 4.995 7.356 -7.492 1.00 0.00 N ATOM 1821 CA LYS A 114 4.909 8.781 -7.777 1.00 0.00 C ATOM 1822 C LYS A 114 4.269 9.019 -9.142 1.00 0.00 C ATOM 1823 O LYS A 114 3.410 9.883 -9.290 1.00 0.00 O ATOM 1824 CB LYS A 114 6.289 9.421 -7.722 1.00 0.00 C ATOM 1825 CG LYS A 114 6.253 10.919 -7.954 1.00 0.00 C ATOM 1826 CD LYS A 114 7.617 11.547 -7.757 1.00 0.00 C ATOM 1827 CE LYS A 114 8.038 11.542 -6.294 1.00 0.00 C ATOM 1828 NZ LYS A 114 9.343 12.226 -6.094 1.00 0.00 N ATOM 0 H LYS A 114 5.946 7.003 -7.382 1.00 0.00 H new ATOM 0 HA LYS A 114 4.281 9.244 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.739 9.219 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.929 8.957 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.901 11.123 -8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.539 11.377 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 114 8.355 11.006 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.602 12.572 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.273 12.035 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.108 10.514 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.596 12.202 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.078 11.740 -6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.269 13.214 -6.409 1.00 0.00 H new ATOM 1842 N LEU A 115 4.671 8.223 -10.127 1.00 0.00 N ATOM 1843 CA LEU A 115 4.139 8.341 -11.484 1.00 0.00 C ATOM 1844 C LEU A 115 2.705 7.819 -11.551 1.00 0.00 C ATOM 1845 O LEU A 115 2.014 7.986 -12.555 1.00 0.00 O ATOM 1846 CB LEU A 115 5.023 7.566 -12.460 1.00 0.00 C ATOM 1847 CG LEU A 115 4.758 7.842 -13.943 1.00 0.00 C ATOM 1848 CD1 LEU A 115 4.987 9.310 -14.268 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.643 6.966 -14.812 1.00 0.00 C ATOM 0 H LEU A 115 5.366 7.486 -10.012 1.00 0.00 H new ATOM 0 HA LEU A 115 4.135 9.395 -11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.066 7.800 -12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.891 6.500 -12.276 1.00 0.00 H new ATOM 0 HG LEU A 115 3.715 7.603 -14.153 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.793 9.483 -15.327 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.313 9.924 -13.671 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.019 9.576 -14.040 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.442 7.175 -15.863 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.690 7.177 -14.594 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.433 5.917 -14.604 1.00 0.00 H new ATOM 1861 N GLY A 116 2.278 7.162 -10.487 1.00 0.00 N ATOM 1862 CA GLY A 116 0.911 6.682 -10.401 1.00 0.00 C ATOM 1863 C GLY A 116 -0.051 7.780 -10.002 1.00 0.00 C ATOM 1864 O GLY A 116 -1.251 7.695 -10.260 1.00 0.00 O ATOM 0 H GLY A 116 2.856 6.950 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.611 6.269 -11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.857 5.871 -9.675 1.00 0.00 H new ATOM 1868 N VAL A 117 0.485 8.813 -9.368 1.00 0.00 N ATOM 1869 CA VAL A 117 -0.314 9.954 -8.944 1.00 0.00 C ATOM 1870 C VAL A 117 0.022 11.180 -9.787 1.00 0.00 C ATOM 1871 O VAL A 117 -0.873 11.883 -10.262 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.085 10.279 -7.451 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -0.997 11.410 -6.996 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.299 9.039 -6.592 1.00 0.00 C ATOM 0 H VAL A 117 1.475 8.884 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.362 9.691 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 117 0.948 10.606 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.817 11.621 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.790 12.304 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.038 11.117 -7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.133 9.289 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.319 8.678 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.402 8.261 -6.895 1.00 0.00 H new ATOM 1884 N GLU A 118 1.325 11.401 -9.978 1.00 0.00 N ATOM 1885 CA GLU A 118 1.847 12.530 -10.744 1.00 0.00 C ATOM 1886 C GLU A 118 1.585 13.857 -10.036 1.00 0.00 C ATOM 1887 O GLU A 118 1.016 13.897 -8.941 1.00 0.00 O ATOM 1888 CB GLU A 118 1.266 12.550 -12.161 1.00 0.00 C ATOM 1889 CG GLU A 118 1.695 11.364 -13.006 1.00 0.00 C ATOM 1890 CD GLU A 118 1.153 11.431 -14.416 1.00 0.00 C ATOM 1891 OE1 GLU A 118 1.625 12.282 -15.198 1.00 0.00 O ATOM 1892 OE2 GLU A 118 0.261 10.628 -14.756 1.00 0.00 O ATOM 0 H GLU A 118 2.053 10.794 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 118 2.927 12.400 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 118 0.178 12.568 -12.099 1.00 0.00 H new ATOM 0 HB3 GLU A 118 1.572 13.470 -12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.784 11.321 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.355 10.443 -12.533 1.00 0.00 H new