USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 67 ASN : amide:sc= 0.238 K(o=0.15,f=-0.63) USER MOD Set 1.2: A 68 SER OG : rot 39:sc= -0.088 USER MOD Single : A 7 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.87) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.27) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0795 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 2.23 (180deg=1.02) USER MOD Single : A 29 THR OG1 : rot 88:sc= 0.342 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 53:sc= 1.21 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0.711) USER MOD Single : A 37 THR OG1 : rot 83:sc= 1.33 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -0.0336 (180deg=-0.315) USER MOD Single : A 48 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 33:sc= -2.15! USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.16) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 0.474 (180deg=0.103) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -98:sc= 1.02 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -166:sc= -1.09 (180deg=-1.47) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 93 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 12.921 -4.318 0.363 1.00 0.00 N ATOM 90 CA GLN A 7 13.533 -4.306 1.675 1.00 0.00 C ATOM 91 C GLN A 7 14.245 -5.630 1.909 1.00 0.00 C ATOM 92 O GLN A 7 14.261 -6.504 1.027 1.00 0.00 O ATOM 93 CB GLN A 7 12.474 -4.097 2.781 1.00 0.00 C ATOM 94 CG GLN A 7 11.755 -2.743 2.804 1.00 0.00 C ATOM 95 CD GLN A 7 10.913 -2.457 1.582 1.00 0.00 C ATOM 96 OE1 GLN A 7 11.382 -1.881 0.616 1.00 0.00 O ATOM 97 NE2 GLN A 7 9.681 -2.856 1.614 1.00 0.00 N ATOM 0 HA GLN A 7 14.244 -3.481 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.721 -4.879 2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.959 -4.240 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 7 11.117 -2.700 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.499 -1.953 2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.321 -3.335 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.070 -2.691 0.814 1.00 0.00 H new ATOM 106 N LEU A 8 14.812 -5.801 3.068 1.00 0.00 N ATOM 107 CA LEU A 8 15.515 -7.019 3.344 1.00 0.00 C ATOM 108 C LEU A 8 14.632 -7.962 4.122 1.00 0.00 C ATOM 109 O LEU A 8 13.980 -7.568 5.069 1.00 0.00 O ATOM 110 CB LEU A 8 16.845 -6.773 4.069 1.00 0.00 C ATOM 111 CG LEU A 8 17.945 -5.984 3.301 1.00 0.00 C ATOM 112 CD1 LEU A 8 17.587 -4.513 3.094 1.00 0.00 C ATOM 113 CD2 LEU A 8 19.281 -6.117 3.994 1.00 0.00 C ATOM 0 H LEU A 8 14.802 -5.121 3.829 1.00 0.00 H new ATOM 0 HA LEU A 8 15.766 -7.481 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.630 -6.238 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 8 17.259 -7.741 4.350 1.00 0.00 H new ATOM 0 HG LEU A 8 18.014 -6.431 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.392 -4.015 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.664 -4.441 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.449 -4.032 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 8 20.035 -5.558 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 8 19.207 -5.721 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.566 -7.168 4.035 1.00 0.00 H new ATOM 125 N GLU A 9 14.614 -9.193 3.731 1.00 0.00 N ATOM 126 CA GLU A 9 13.761 -10.149 4.350 1.00 0.00 C ATOM 127 C GLU A 9 14.488 -10.815 5.463 1.00 0.00 C ATOM 128 O GLU A 9 15.583 -11.293 5.295 1.00 0.00 O ATOM 129 CB GLU A 9 13.273 -11.177 3.356 1.00 0.00 C ATOM 130 CG GLU A 9 12.542 -10.588 2.163 1.00 0.00 C ATOM 131 CD GLU A 9 12.076 -11.641 1.197 1.00 0.00 C ATOM 132 OE1 GLU A 9 10.991 -12.208 1.399 1.00 0.00 O ATOM 133 OE2 GLU A 9 12.773 -11.906 0.214 1.00 0.00 O ATOM 0 H GLU A 9 15.190 -9.563 2.975 1.00 0.00 H new ATOM 0 HA GLU A 9 12.888 -9.628 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.126 -11.753 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.609 -11.874 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.683 -10.015 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.201 -9.890 1.645 1.00 0.00 H new ATOM 140 N ILE A 10 13.898 -10.836 6.584 1.00 0.00 N ATOM 141 CA ILE A 10 14.518 -11.416 7.731 1.00 0.00 C ATOM 142 C ILE A 10 13.716 -12.587 8.197 1.00 0.00 C ATOM 143 O ILE A 10 12.474 -12.543 8.212 1.00 0.00 O ATOM 144 CB ILE A 10 14.639 -10.387 8.898 1.00 0.00 C ATOM 145 CG1 ILE A 10 15.437 -9.150 8.447 1.00 0.00 C ATOM 146 CG2 ILE A 10 15.293 -11.031 10.123 1.00 0.00 C ATOM 147 CD1 ILE A 10 15.543 -8.057 9.490 1.00 0.00 C ATOM 0 H ILE A 10 12.967 -10.454 6.750 1.00 0.00 H new ATOM 0 HA ILE A 10 15.521 -11.732 7.444 1.00 0.00 H new ATOM 0 HB ILE A 10 13.635 -10.067 9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.442 -9.464 8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.969 -8.738 7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.367 -10.296 10.924 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.688 -11.873 10.458 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.290 -11.383 9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 10 16.121 -7.225 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.545 -7.710 9.756 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.040 -8.448 10.378 1.00 0.00 H new ATOM 159 N LYS A 11 14.395 -13.633 8.523 1.00 0.00 N ATOM 160 CA LYS A 11 13.776 -14.735 9.156 1.00 0.00 C ATOM 161 C LYS A 11 14.405 -14.900 10.515 1.00 0.00 C ATOM 162 O LYS A 11 15.640 -14.782 10.658 1.00 0.00 O ATOM 163 CB LYS A 11 13.875 -16.057 8.377 1.00 0.00 C ATOM 164 CG LYS A 11 15.280 -16.535 8.036 1.00 0.00 C ATOM 165 CD LYS A 11 15.276 -18.033 7.736 1.00 0.00 C ATOM 166 CE LYS A 11 14.320 -18.414 6.621 1.00 0.00 C ATOM 167 NZ LYS A 11 14.202 -19.881 6.499 1.00 0.00 N ATOM 0 H LYS A 11 15.395 -13.744 8.356 1.00 0.00 H new ATOM 0 HA LYS A 11 12.710 -14.515 9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.381 -16.835 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.315 -15.950 7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.658 -15.986 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.954 -16.326 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.284 -18.346 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.006 -18.578 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.338 -17.982 6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.671 -17.995 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.610 -20.114 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.147 -20.296 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.766 -20.267 7.360 1.00 0.00 H new ATOM 181 N PHE A 12 13.603 -15.147 11.491 1.00 0.00 N ATOM 182 CA PHE A 12 14.090 -15.312 12.827 1.00 0.00 C ATOM 183 C PHE A 12 14.311 -16.777 13.083 1.00 0.00 C ATOM 184 O PHE A 12 13.376 -17.566 13.008 1.00 0.00 O ATOM 185 CB PHE A 12 13.088 -14.746 13.828 1.00 0.00 C ATOM 186 CG PHE A 12 12.791 -13.287 13.624 1.00 0.00 C ATOM 187 CD1 PHE A 12 13.735 -12.324 13.936 1.00 0.00 C ATOM 188 CD2 PHE A 12 11.570 -12.881 13.112 1.00 0.00 C ATOM 189 CE1 PHE A 12 13.469 -10.985 13.744 1.00 0.00 C ATOM 190 CE2 PHE A 12 11.296 -11.541 12.919 1.00 0.00 C ATOM 191 CZ PHE A 12 12.248 -10.592 13.236 1.00 0.00 C ATOM 0 H PHE A 12 12.592 -15.241 11.392 1.00 0.00 H new ATOM 0 HA PHE A 12 15.030 -14.773 12.945 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.158 -15.311 13.757 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.474 -14.892 14.837 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.692 -12.625 14.335 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.824 -13.620 12.861 1.00 0.00 H new ATOM 0 HE1 PHE A 12 14.215 -10.245 13.991 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.339 -11.236 12.521 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.037 -9.543 13.086 1.00 0.00 H new ATOM 201 N ARG A 13 15.534 -17.155 13.348 1.00 0.00 N ATOM 202 CA ARG A 13 15.838 -18.521 13.575 1.00 0.00 C ATOM 203 C ARG A 13 16.238 -18.740 15.007 1.00 0.00 C ATOM 204 O ARG A 13 17.067 -18.002 15.561 1.00 0.00 O ATOM 205 CB ARG A 13 16.932 -19.015 12.649 1.00 0.00 C ATOM 206 CG ARG A 13 16.718 -18.674 11.189 1.00 0.00 C ATOM 207 CD ARG A 13 17.536 -19.572 10.282 1.00 0.00 C ATOM 208 NE ARG A 13 16.970 -20.922 10.229 1.00 0.00 N ATOM 209 CZ ARG A 13 17.552 -21.997 9.712 1.00 0.00 C ATOM 210 NH1 ARG A 13 18.813 -21.958 9.296 1.00 0.00 N ATOM 211 NH2 ARG A 13 16.858 -23.117 9.622 1.00 0.00 N ATOM 0 H ARG A 13 16.332 -16.523 13.410 1.00 0.00 H new ATOM 0 HA ARG A 13 14.936 -19.095 13.363 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.883 -18.592 12.972 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.014 -20.097 12.748 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.661 -18.773 10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.990 -17.633 11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.569 -19.148 9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.564 -19.619 10.642 1.00 0.00 H new ATOM 0 HE ARG A 13 16.040 -21.048 10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.348 -21.093 9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.246 -22.793 8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.892 -23.146 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.288 -23.953 9.227 1.00 0.00 H new ATOM 225 N LEU A 14 15.639 -19.717 15.601 1.00 0.00 N ATOM 226 CA LEU A 14 15.901 -20.086 16.955 1.00 0.00 C ATOM 227 C LEU A 14 17.060 -21.058 17.028 1.00 0.00 C ATOM 228 O LEU A 14 17.477 -21.631 16.009 1.00 0.00 O ATOM 229 CB LEU A 14 14.654 -20.718 17.591 1.00 0.00 C ATOM 230 CG LEU A 14 13.440 -19.805 17.854 1.00 0.00 C ATOM 231 CD1 LEU A 14 13.820 -18.628 18.730 1.00 0.00 C ATOM 232 CD2 LEU A 14 12.747 -19.343 16.569 1.00 0.00 C ATOM 0 H LEU A 14 14.934 -20.298 15.147 1.00 0.00 H new ATOM 0 HA LEU A 14 16.162 -19.183 17.507 1.00 0.00 H new ATOM 0 HB2 LEU A 14 14.326 -21.534 16.947 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.951 -21.162 18.541 1.00 0.00 H new ATOM 0 HG LEU A 14 12.710 -20.410 18.392 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.944 -18.002 18.898 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.195 -18.992 19.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.595 -18.042 18.236 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.901 -18.704 16.821 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.454 -18.784 15.955 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.393 -20.212 16.014 1.00 0.00 H new ATOM 244 N THR A 15 17.552 -21.271 18.226 1.00 0.00 N ATOM 245 CA THR A 15 18.673 -22.147 18.473 1.00 0.00 C ATOM 246 C THR A 15 18.321 -23.637 18.278 1.00 0.00 C ATOM 247 O THR A 15 19.204 -24.485 18.117 1.00 0.00 O ATOM 248 CB THR A 15 19.242 -21.873 19.872 1.00 0.00 C ATOM 249 OG1 THR A 15 18.152 -21.704 20.800 1.00 0.00 O ATOM 250 CG2 THR A 15 20.113 -20.624 19.870 1.00 0.00 C ATOM 0 H THR A 15 17.179 -20.834 19.069 1.00 0.00 H new ATOM 0 HA THR A 15 19.440 -21.929 17.730 1.00 0.00 H new ATOM 0 HB THR A 15 19.860 -22.719 20.172 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.509 -21.530 21.696 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.504 -20.452 20.873 1.00 0.00 H new ATOM 0 HG22 THR A 15 20.942 -20.760 19.175 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.517 -19.765 19.560 1.00 0.00 H new ATOM 258 N ASP A 16 17.032 -23.934 18.269 1.00 0.00 N ATOM 259 CA ASP A 16 16.536 -25.305 18.029 1.00 0.00 C ATOM 260 C ASP A 16 16.496 -25.642 16.553 1.00 0.00 C ATOM 261 O ASP A 16 16.127 -26.748 16.170 1.00 0.00 O ATOM 262 CB ASP A 16 15.143 -25.518 18.627 1.00 0.00 C ATOM 263 CG ASP A 16 15.134 -25.569 20.127 1.00 0.00 C ATOM 264 OD1 ASP A 16 15.119 -24.516 20.768 1.00 0.00 O ATOM 265 OD2 ASP A 16 15.122 -26.678 20.687 1.00 0.00 O ATOM 0 H ASP A 16 16.294 -23.247 18.425 1.00 0.00 H new ATOM 0 HA ASP A 16 17.242 -25.971 18.525 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.487 -24.713 18.295 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.728 -26.448 18.238 1.00 0.00 H new ATOM 270 N GLY A 17 16.854 -24.686 15.724 1.00 0.00 N ATOM 271 CA GLY A 17 16.844 -24.909 14.291 1.00 0.00 C ATOM 272 C GLY A 17 15.491 -24.626 13.696 1.00 0.00 C ATOM 273 O GLY A 17 15.264 -24.822 12.499 1.00 0.00 O ATOM 0 H GLY A 17 17.153 -23.754 16.012 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.591 -24.272 13.818 1.00 0.00 H new ATOM 0 HA3 GLY A 17 17.126 -25.941 14.081 1.00 0.00 H new ATOM 277 N SER A 18 14.601 -24.170 14.529 1.00 0.00 N ATOM 278 CA SER A 18 13.289 -23.798 14.119 1.00 0.00 C ATOM 279 C SER A 18 13.326 -22.338 13.736 1.00 0.00 C ATOM 280 O SER A 18 13.937 -21.536 14.442 1.00 0.00 O ATOM 281 CB SER A 18 12.335 -24.008 15.288 1.00 0.00 C ATOM 282 OG SER A 18 12.400 -25.351 15.756 1.00 0.00 O ATOM 0 H SER A 18 14.775 -24.046 15.526 1.00 0.00 H new ATOM 0 HA SER A 18 12.952 -24.397 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.588 -23.323 16.097 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.316 -23.774 14.979 1.00 0.00 H new ATOM 0 HG SER A 18 11.782 -25.466 16.508 1.00 0.00 H new ATOM 288 N ASP A 19 12.738 -21.987 12.631 1.00 0.00 N ATOM 289 CA ASP A 19 12.733 -20.637 12.224 1.00 0.00 C ATOM 290 C ASP A 19 11.373 -20.167 11.841 1.00 0.00 C ATOM 291 O ASP A 19 10.464 -20.964 11.591 1.00 0.00 O ATOM 292 CB ASP A 19 13.759 -20.356 11.123 1.00 0.00 C ATOM 293 CG ASP A 19 13.631 -21.178 9.854 1.00 0.00 C ATOM 294 OD1 ASP A 19 14.166 -22.312 9.819 1.00 0.00 O ATOM 295 OD2 ASP A 19 13.055 -20.691 8.866 1.00 0.00 O ATOM 0 H ASP A 19 12.257 -22.629 12.001 1.00 0.00 H new ATOM 0 HA ASP A 19 13.037 -20.057 13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.692 -19.302 10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.755 -20.517 11.535 1.00 0.00 H new ATOM 300 N ILE A 20 11.242 -18.880 11.793 1.00 0.00 N ATOM 301 CA ILE A 20 10.014 -18.228 11.477 1.00 0.00 C ATOM 302 C ILE A 20 10.130 -17.705 10.061 1.00 0.00 C ATOM 303 O ILE A 20 11.196 -17.201 9.678 1.00 0.00 O ATOM 304 CB ILE A 20 9.768 -17.035 12.466 1.00 0.00 C ATOM 305 CG1 ILE A 20 9.731 -17.546 13.922 1.00 0.00 C ATOM 306 CG2 ILE A 20 8.482 -16.280 12.128 1.00 0.00 C ATOM 307 CD1 ILE A 20 9.536 -16.458 14.966 1.00 0.00 C ATOM 0 H ILE A 20 12.010 -18.235 11.978 1.00 0.00 H new ATOM 0 HA ILE A 20 9.178 -18.922 11.566 1.00 0.00 H new ATOM 0 HB ILE A 20 10.597 -16.335 12.358 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.925 -18.273 14.018 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.662 -18.072 14.133 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.345 -15.461 12.834 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.550 -15.880 11.116 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.633 -16.961 12.192 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.522 -16.906 15.960 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.355 -15.741 14.902 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.591 -15.946 14.786 1.00 0.00 H new ATOM 319 N GLY A 21 9.052 -17.855 9.294 1.00 0.00 N ATOM 320 CA GLY A 21 9.017 -17.449 7.897 1.00 0.00 C ATOM 321 C GLY A 21 9.506 -16.028 7.674 1.00 0.00 C ATOM 322 O GLY A 21 9.182 -15.121 8.463 1.00 0.00 O ATOM 0 H GLY A 21 8.178 -18.263 9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.630 -18.134 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.996 -17.538 7.525 1.00 0.00 H new ATOM 326 N PRO A 22 10.296 -15.800 6.618 1.00 0.00 N ATOM 327 CA PRO A 22 10.869 -14.500 6.340 1.00 0.00 C ATOM 328 C PRO A 22 9.868 -13.488 5.800 1.00 0.00 C ATOM 329 O PRO A 22 8.968 -13.814 5.006 1.00 0.00 O ATOM 330 CB PRO A 22 11.944 -14.782 5.290 1.00 0.00 C ATOM 331 CG PRO A 22 11.523 -16.046 4.622 1.00 0.00 C ATOM 332 CD PRO A 22 10.695 -16.813 5.619 1.00 0.00 C ATOM 0 HA PRO A 22 11.247 -14.049 7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.017 -13.964 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.925 -14.890 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.945 -15.833 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.392 -16.627 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.825 -17.270 5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.269 -17.619 6.077 1.00 0.00 H new ATOM 340 N LYS A 23 10.026 -12.278 6.242 1.00 0.00 N ATOM 341 CA LYS A 23 9.242 -11.129 5.759 1.00 0.00 C ATOM 342 C LYS A 23 10.174 -10.006 5.457 1.00 0.00 C ATOM 343 O LYS A 23 11.304 -10.045 5.892 1.00 0.00 O ATOM 344 CB LYS A 23 8.107 -10.650 6.713 1.00 0.00 C ATOM 345 CG LYS A 23 6.835 -11.515 6.727 1.00 0.00 C ATOM 346 CD LYS A 23 6.972 -12.831 7.475 1.00 0.00 C ATOM 347 CE LYS A 23 7.062 -12.624 8.979 1.00 0.00 C ATOM 348 NZ LYS A 23 7.089 -13.917 9.692 1.00 0.00 N ATOM 0 H LYS A 23 10.708 -12.033 6.960 1.00 0.00 H new ATOM 0 HA LYS A 23 8.721 -11.469 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.505 -10.606 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.829 -9.633 6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.025 -10.940 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.544 -11.726 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.118 -13.468 7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.862 -13.355 7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.960 -12.054 9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.211 -12.035 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.862 -13.765 10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.388 -14.560 9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.036 -14.338 9.611 1.00 0.00 H new ATOM 362 N ALA A 24 9.731 -9.021 4.718 1.00 0.00 N ATOM 363 CA ALA A 24 10.614 -7.929 4.360 1.00 0.00 C ATOM 364 C ALA A 24 10.564 -6.818 5.394 1.00 0.00 C ATOM 365 O ALA A 24 9.496 -6.268 5.691 1.00 0.00 O ATOM 366 CB ALA A 24 10.301 -7.403 2.970 1.00 0.00 C ATOM 0 H ALA A 24 8.781 -8.948 4.355 1.00 0.00 H new ATOM 0 HA ALA A 24 11.632 -8.318 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.980 -6.585 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.426 -8.204 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.273 -7.042 2.940 1.00 0.00 H new ATOM 372 N PHE A 25 11.710 -6.500 5.931 1.00 0.00 N ATOM 373 CA PHE A 25 11.866 -5.478 6.933 1.00 0.00 C ATOM 374 C PHE A 25 12.824 -4.454 6.389 1.00 0.00 C ATOM 375 O PHE A 25 13.892 -4.812 5.877 1.00 0.00 O ATOM 376 CB PHE A 25 12.524 -6.038 8.212 1.00 0.00 C ATOM 377 CG PHE A 25 11.852 -7.206 8.869 1.00 0.00 C ATOM 378 CD1 PHE A 25 11.970 -8.455 8.328 1.00 0.00 C ATOM 379 CD2 PHE A 25 11.151 -7.061 10.050 1.00 0.00 C ATOM 380 CE1 PHE A 25 11.410 -9.547 8.926 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.575 -8.161 10.656 1.00 0.00 C ATOM 382 CZ PHE A 25 10.717 -9.410 10.079 1.00 0.00 C ATOM 0 H PHE A 25 12.586 -6.957 5.677 1.00 0.00 H new ATOM 0 HA PHE A 25 10.882 -5.074 7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.546 -6.329 7.968 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.588 -5.230 8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.519 -8.581 7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.053 -6.085 10.501 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.521 -10.523 8.477 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.018 -8.046 11.574 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.274 -10.276 10.549 1.00 0.00 H new ATOM 392 N PRO A 26 12.477 -3.191 6.429 1.00 0.00 N ATOM 393 CA PRO A 26 13.416 -2.148 6.076 1.00 0.00 C ATOM 394 C PRO A 26 14.565 -2.121 7.079 1.00 0.00 C ATOM 395 O PRO A 26 14.361 -2.377 8.273 1.00 0.00 O ATOM 396 CB PRO A 26 12.606 -0.864 6.227 1.00 0.00 C ATOM 397 CG PRO A 26 11.184 -1.291 6.155 1.00 0.00 C ATOM 398 CD PRO A 26 11.143 -2.661 6.755 1.00 0.00 C ATOM 0 HA PRO A 26 13.840 -2.286 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.822 -0.371 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.844 -0.153 5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.540 -0.604 6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.831 -1.304 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.971 -2.628 7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.348 -3.269 6.324 1.00 0.00 H new ATOM 406 N ASP A 27 15.746 -1.793 6.620 1.00 0.00 N ATOM 407 CA ASP A 27 16.909 -1.685 7.498 1.00 0.00 C ATOM 408 C ASP A 27 16.770 -0.465 8.400 1.00 0.00 C ATOM 409 O ASP A 27 17.450 -0.333 9.416 1.00 0.00 O ATOM 410 CB ASP A 27 18.219 -1.632 6.703 1.00 0.00 C ATOM 411 CG ASP A 27 18.350 -0.417 5.816 1.00 0.00 C ATOM 412 OD1 ASP A 27 17.746 -0.398 4.731 1.00 0.00 O ATOM 413 OD2 ASP A 27 19.078 0.524 6.183 1.00 0.00 O ATOM 0 H ASP A 27 15.939 -1.593 5.639 1.00 0.00 H new ATOM 0 HA ASP A 27 16.948 -2.581 8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 27 19.056 -1.652 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 27 18.295 -2.528 6.088 1.00 0.00 H new ATOM 418 N ALA A 28 15.861 0.411 8.017 1.00 0.00 N ATOM 419 CA ALA A 28 15.546 1.612 8.772 1.00 0.00 C ATOM 420 C ALA A 28 14.589 1.302 9.941 1.00 0.00 C ATOM 421 O ALA A 28 14.203 2.206 10.703 1.00 0.00 O ATOM 422 CB ALA A 28 14.945 2.667 7.853 1.00 0.00 C ATOM 0 H ALA A 28 15.313 0.309 7.163 1.00 0.00 H new ATOM 0 HA ALA A 28 16.472 2.000 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.713 3.562 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.660 2.916 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 28 14.032 2.279 7.402 1.00 0.00 H new ATOM 428 N THR A 29 14.209 0.040 10.077 1.00 0.00 N ATOM 429 CA THR A 29 13.350 -0.393 11.168 1.00 0.00 C ATOM 430 C THR A 29 14.177 -0.478 12.455 1.00 0.00 C ATOM 431 O THR A 29 15.337 -0.916 12.428 1.00 0.00 O ATOM 432 CB THR A 29 12.735 -1.775 10.858 1.00 0.00 C ATOM 433 OG1 THR A 29 12.073 -1.712 9.596 1.00 0.00 O ATOM 434 CG2 THR A 29 11.730 -2.198 11.926 1.00 0.00 C ATOM 0 H THR A 29 14.485 -0.707 9.440 1.00 0.00 H new ATOM 0 HA THR A 29 12.542 0.328 11.290 1.00 0.00 H new ATOM 0 HB THR A 29 13.539 -2.510 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.710 -1.922 8.882 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.319 -3.175 11.672 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.229 -2.254 12.893 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.923 -1.467 11.976 1.00 0.00 H new ATOM 442 N THR A 30 13.612 -0.050 13.549 1.00 0.00 N ATOM 443 CA THR A 30 14.311 -0.059 14.790 1.00 0.00 C ATOM 444 C THR A 30 14.239 -1.434 15.436 1.00 0.00 C ATOM 445 O THR A 30 13.347 -2.241 15.116 1.00 0.00 O ATOM 446 CB THR A 30 13.744 0.986 15.749 1.00 0.00 C ATOM 447 OG1 THR A 30 12.361 0.687 16.023 1.00 0.00 O ATOM 448 CG2 THR A 30 13.853 2.375 15.140 1.00 0.00 C ATOM 0 H THR A 30 12.660 0.312 13.599 1.00 0.00 H new ATOM 0 HA THR A 30 15.353 0.186 14.582 1.00 0.00 H new ATOM 0 HB THR A 30 14.316 0.962 16.677 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.998 1.356 16.640 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.445 3.110 15.834 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.900 2.605 14.942 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.292 2.408 14.206 1.00 0.00 H new ATOM 456 N VAL A 31 15.159 -1.705 16.339 1.00 0.00 N ATOM 457 CA VAL A 31 15.186 -2.968 17.046 1.00 0.00 C ATOM 458 C VAL A 31 13.959 -3.096 17.947 1.00 0.00 C ATOM 459 O VAL A 31 13.484 -4.198 18.207 1.00 0.00 O ATOM 460 CB VAL A 31 16.490 -3.137 17.862 1.00 0.00 C ATOM 461 CG1 VAL A 31 16.502 -4.463 18.622 1.00 0.00 C ATOM 462 CG2 VAL A 31 17.690 -3.053 16.937 1.00 0.00 C ATOM 0 H VAL A 31 15.904 -1.060 16.602 1.00 0.00 H new ATOM 0 HA VAL A 31 15.162 -3.768 16.306 1.00 0.00 H new ATOM 0 HB VAL A 31 16.540 -2.332 18.595 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.431 -4.551 19.185 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.657 -4.496 19.309 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.427 -5.289 17.914 1.00 0.00 H new ATOM 0 HG21 VAL A 31 18.605 -3.173 17.517 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.629 -3.843 16.189 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.699 -2.083 16.440 1.00 0.00 H new ATOM 472 N SER A 32 13.429 -1.959 18.384 1.00 0.00 N ATOM 473 CA SER A 32 12.227 -1.948 19.193 1.00 0.00 C ATOM 474 C SER A 32 11.065 -2.589 18.418 1.00 0.00 C ATOM 475 O SER A 32 10.405 -3.500 18.919 1.00 0.00 O ATOM 476 CB SER A 32 11.872 -0.517 19.613 1.00 0.00 C ATOM 477 OG SER A 32 12.910 0.064 20.401 1.00 0.00 O ATOM 0 H SER A 32 13.816 -1.036 18.189 1.00 0.00 H new ATOM 0 HA SER A 32 12.408 -2.531 20.096 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.701 0.093 18.726 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.941 -0.522 20.180 1.00 0.00 H new ATOM 0 HG SER A 32 13.763 -0.010 19.924 1.00 0.00 H new ATOM 483 N ALA A 33 10.873 -2.154 17.178 1.00 0.00 N ATOM 484 CA ALA A 33 9.801 -2.676 16.341 1.00 0.00 C ATOM 485 C ALA A 33 10.146 -4.079 15.830 1.00 0.00 C ATOM 486 O ALA A 33 9.261 -4.912 15.632 1.00 0.00 O ATOM 487 CB ALA A 33 9.531 -1.732 15.181 1.00 0.00 C ATOM 0 H ALA A 33 11.447 -1.440 16.730 1.00 0.00 H new ATOM 0 HA ALA A 33 8.896 -2.750 16.944 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.728 -2.134 14.564 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.238 -0.756 15.567 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.434 -1.628 14.579 1.00 0.00 H new ATOM 493 N LEU A 34 11.429 -4.341 15.636 1.00 0.00 N ATOM 494 CA LEU A 34 11.907 -5.611 15.202 1.00 0.00 C ATOM 495 C LEU A 34 11.567 -6.669 16.257 1.00 0.00 C ATOM 496 O LEU A 34 11.004 -7.722 15.947 1.00 0.00 O ATOM 497 CB LEU A 34 13.413 -5.495 15.018 1.00 0.00 C ATOM 498 CG LEU A 34 14.142 -6.743 14.636 1.00 0.00 C ATOM 499 CD1 LEU A 34 13.678 -7.259 13.279 1.00 0.00 C ATOM 500 CD2 LEU A 34 15.643 -6.524 14.661 1.00 0.00 C ATOM 0 H LEU A 34 12.168 -3.653 15.783 1.00 0.00 H new ATOM 0 HA LEU A 34 11.441 -5.910 14.263 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.605 -4.742 14.254 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.842 -5.122 15.948 1.00 0.00 H new ATOM 0 HG LEU A 34 13.906 -7.509 15.375 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.226 -8.167 13.028 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.611 -7.478 13.319 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.865 -6.501 12.518 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.150 -7.447 14.379 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.907 -5.735 13.957 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.951 -6.232 15.665 1.00 0.00 H new ATOM 512 N LYS A 35 11.879 -6.350 17.503 1.00 0.00 N ATOM 513 CA LYS A 35 11.621 -7.229 18.628 1.00 0.00 C ATOM 514 C LYS A 35 10.122 -7.420 18.789 1.00 0.00 C ATOM 515 O LYS A 35 9.649 -8.525 18.998 1.00 0.00 O ATOM 516 CB LYS A 35 12.155 -6.599 19.903 1.00 0.00 C ATOM 517 CG LYS A 35 12.100 -7.513 21.121 1.00 0.00 C ATOM 518 CD LYS A 35 13.146 -8.611 21.054 1.00 0.00 C ATOM 519 CE LYS A 35 14.556 -8.027 21.135 1.00 0.00 C ATOM 520 NZ LYS A 35 14.770 -7.268 22.389 1.00 0.00 N ATOM 0 H LYS A 35 12.321 -5.468 17.762 1.00 0.00 H new ATOM 0 HA LYS A 35 12.110 -8.186 18.446 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.188 -6.293 19.739 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.584 -5.695 20.115 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.251 -6.923 22.025 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.109 -7.960 21.195 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.992 -9.315 21.871 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.033 -9.171 20.125 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.287 -8.833 21.070 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.727 -7.372 20.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.779 -7.034 22.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.212 -6.391 22.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.470 -7.846 23.200 1.00 0.00 H new ATOM 534 N GLU A 36 9.397 -6.317 18.675 1.00 0.00 N ATOM 535 CA GLU A 36 7.967 -6.250 18.800 1.00 0.00 C ATOM 536 C GLU A 36 7.323 -7.221 17.791 1.00 0.00 C ATOM 537 O GLU A 36 6.358 -7.931 18.111 1.00 0.00 O ATOM 538 CB GLU A 36 7.628 -4.799 18.479 1.00 0.00 C ATOM 539 CG GLU A 36 6.268 -4.283 18.811 1.00 0.00 C ATOM 540 CD GLU A 36 5.130 -4.904 18.038 1.00 0.00 C ATOM 541 OE1 GLU A 36 5.042 -4.676 16.820 1.00 0.00 O ATOM 542 OE2 GLU A 36 4.299 -5.618 18.636 1.00 0.00 O ATOM 0 H GLU A 36 9.819 -5.408 18.484 1.00 0.00 H new ATOM 0 HA GLU A 36 7.600 -6.535 19.786 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.353 -4.170 18.995 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.783 -4.654 17.410 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.089 -4.439 19.875 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.255 -3.207 18.640 1.00 0.00 H new ATOM 549 N THR A 37 7.890 -7.267 16.596 1.00 0.00 N ATOM 550 CA THR A 37 7.424 -8.154 15.565 1.00 0.00 C ATOM 551 C THR A 37 7.601 -9.618 16.011 1.00 0.00 C ATOM 552 O THR A 37 6.702 -10.433 15.837 1.00 0.00 O ATOM 553 CB THR A 37 8.175 -7.896 14.243 1.00 0.00 C ATOM 554 OG1 THR A 37 8.043 -6.497 13.892 1.00 0.00 O ATOM 555 CG2 THR A 37 7.592 -8.748 13.119 1.00 0.00 C ATOM 0 H THR A 37 8.684 -6.688 16.323 1.00 0.00 H new ATOM 0 HA THR A 37 6.364 -7.964 15.394 1.00 0.00 H new ATOM 0 HB THR A 37 9.224 -8.159 14.376 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.710 -5.972 14.382 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.135 -8.552 12.195 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.684 -9.803 13.377 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.540 -8.499 12.982 1.00 0.00 H new ATOM 563 N VAL A 38 8.747 -9.921 16.627 1.00 0.00 N ATOM 564 CA VAL A 38 9.025 -11.265 17.154 1.00 0.00 C ATOM 565 C VAL A 38 7.983 -11.636 18.205 1.00 0.00 C ATOM 566 O VAL A 38 7.467 -12.743 18.208 1.00 0.00 O ATOM 567 CB VAL A 38 10.445 -11.355 17.800 1.00 0.00 C ATOM 568 CG1 VAL A 38 10.706 -12.745 18.374 1.00 0.00 C ATOM 569 CG2 VAL A 38 11.516 -11.002 16.793 1.00 0.00 C ATOM 0 H VAL A 38 9.502 -9.252 16.775 1.00 0.00 H new ATOM 0 HA VAL A 38 8.984 -11.958 16.314 1.00 0.00 H new ATOM 0 HB VAL A 38 10.479 -10.635 18.618 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.702 -12.775 18.816 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.962 -12.968 19.139 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.640 -13.486 17.577 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.496 -11.071 17.265 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.468 -11.695 15.953 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.357 -9.985 16.434 1.00 0.00 H new ATOM 579 N ILE A 39 7.661 -10.676 19.062 1.00 0.00 N ATOM 580 CA ILE A 39 6.696 -10.879 20.147 1.00 0.00 C ATOM 581 C ILE A 39 5.309 -11.206 19.564 1.00 0.00 C ATOM 582 O ILE A 39 4.540 -11.939 20.152 1.00 0.00 O ATOM 583 CB ILE A 39 6.587 -9.612 21.070 1.00 0.00 C ATOM 584 CG1 ILE A 39 7.975 -9.118 21.493 1.00 0.00 C ATOM 585 CG2 ILE A 39 5.743 -9.897 22.322 1.00 0.00 C ATOM 586 CD1 ILE A 39 8.824 -10.136 22.205 1.00 0.00 C ATOM 0 H ILE A 39 8.057 -9.736 19.029 1.00 0.00 H new ATOM 0 HA ILE A 39 7.051 -11.713 20.752 1.00 0.00 H new ATOM 0 HB ILE A 39 6.093 -8.835 20.486 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.509 -8.779 20.605 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.853 -8.251 22.142 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.689 -8.999 22.937 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.737 -10.193 22.023 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.203 -10.702 22.895 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.785 -9.692 22.463 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.318 -10.460 23.115 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.984 -10.995 21.554 1.00 0.00 H new ATOM 598 N SER A 40 5.003 -10.622 18.415 1.00 0.00 N ATOM 599 CA SER A 40 3.740 -10.874 17.745 1.00 0.00 C ATOM 600 C SER A 40 3.754 -12.253 17.037 1.00 0.00 C ATOM 601 O SER A 40 2.757 -12.999 17.077 1.00 0.00 O ATOM 602 CB SER A 40 3.451 -9.738 16.741 1.00 0.00 C ATOM 603 OG SER A 40 2.180 -9.879 16.118 1.00 0.00 O ATOM 0 H SER A 40 5.616 -9.968 17.927 1.00 0.00 H new ATOM 0 HA SER A 40 2.943 -10.897 18.489 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.496 -8.779 17.258 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.228 -9.725 15.977 1.00 0.00 H new ATOM 0 HG SER A 40 2.038 -9.138 15.492 1.00 0.00 H new ATOM 609 N GLU A 41 4.888 -12.586 16.419 1.00 0.00 N ATOM 610 CA GLU A 41 5.058 -13.810 15.682 1.00 0.00 C ATOM 611 C GLU A 41 5.112 -15.019 16.589 1.00 0.00 C ATOM 612 O GLU A 41 4.562 -16.077 16.267 1.00 0.00 O ATOM 613 CB GLU A 41 6.317 -13.722 14.842 1.00 0.00 C ATOM 614 CG GLU A 41 6.242 -12.701 13.724 1.00 0.00 C ATOM 615 CD GLU A 41 5.167 -13.035 12.728 1.00 0.00 C ATOM 616 OE1 GLU A 41 5.450 -13.787 11.782 1.00 0.00 O ATOM 617 OE2 GLU A 41 4.026 -12.568 12.874 1.00 0.00 O ATOM 0 H GLU A 41 5.719 -11.994 16.425 1.00 0.00 H new ATOM 0 HA GLU A 41 4.190 -13.937 15.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.158 -13.475 15.490 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.524 -14.702 14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.051 -11.714 14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.204 -12.649 13.215 1.00 0.00 H new ATOM 624 N TRP A 42 5.777 -14.878 17.696 1.00 0.00 N ATOM 625 CA TRP A 42 5.864 -15.936 18.649 1.00 0.00 C ATOM 626 C TRP A 42 4.607 -15.881 19.492 1.00 0.00 C ATOM 627 O TRP A 42 4.246 -14.816 19.974 1.00 0.00 O ATOM 628 CB TRP A 42 7.103 -15.738 19.534 1.00 0.00 C ATOM 629 CG TRP A 42 7.413 -16.896 20.443 1.00 0.00 C ATOM 630 CD1 TRP A 42 6.768 -17.249 21.591 1.00 0.00 C ATOM 631 CD2 TRP A 42 8.468 -17.837 20.275 1.00 0.00 C ATOM 632 NE1 TRP A 42 7.364 -18.356 22.147 1.00 0.00 N ATOM 633 CE2 TRP A 42 8.408 -18.737 21.356 1.00 0.00 C ATOM 634 CE3 TRP A 42 9.458 -18.007 19.309 1.00 0.00 C ATOM 635 CZ2 TRP A 42 9.303 -19.788 21.497 1.00 0.00 C ATOM 636 CZ3 TRP A 42 10.342 -19.050 19.453 1.00 0.00 C ATOM 637 CH2 TRP A 42 10.260 -19.931 20.536 1.00 0.00 C ATOM 0 H TRP A 42 6.273 -14.027 17.961 1.00 0.00 H new ATOM 0 HA TRP A 42 5.954 -16.903 18.153 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.966 -15.554 18.893 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.961 -14.844 20.141 1.00 0.00 H new ATOM 0 HD1 TRP A 42 5.913 -16.734 22.004 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.073 -18.817 23.009 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.529 -17.335 18.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.244 -20.466 22.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 11.116 -19.192 18.714 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.969 -20.742 20.613 1.00 0.00 H new ATOM 648 N PRO A 43 3.895 -17.005 19.639 1.00 0.00 N ATOM 649 CA PRO A 43 2.684 -17.063 20.450 1.00 0.00 C ATOM 650 C PRO A 43 2.885 -16.496 21.862 1.00 0.00 C ATOM 651 O PRO A 43 3.602 -17.078 22.684 1.00 0.00 O ATOM 652 CB PRO A 43 2.378 -18.555 20.519 1.00 0.00 C ATOM 653 CG PRO A 43 2.947 -19.104 19.261 1.00 0.00 C ATOM 654 CD PRO A 43 4.192 -18.305 19.001 1.00 0.00 C ATOM 0 HA PRO A 43 1.883 -16.463 20.019 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.834 -19.015 21.396 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.306 -18.739 20.584 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.176 -20.165 19.364 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.240 -19.009 18.436 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.072 -18.777 19.438 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.385 -18.196 17.934 1.00 0.00 H new ATOM 662 N ARG A 44 2.247 -15.357 22.125 1.00 0.00 N ATOM 663 CA ARG A 44 2.315 -14.680 23.426 1.00 0.00 C ATOM 664 C ARG A 44 1.693 -15.524 24.520 1.00 0.00 C ATOM 665 O ARG A 44 1.956 -15.330 25.705 1.00 0.00 O ATOM 666 CB ARG A 44 1.649 -13.309 23.382 1.00 0.00 C ATOM 667 CG ARG A 44 2.307 -12.318 22.441 1.00 0.00 C ATOM 668 CD ARG A 44 1.656 -10.954 22.556 1.00 0.00 C ATOM 669 NE ARG A 44 1.754 -10.442 23.929 1.00 0.00 N ATOM 670 CZ ARG A 44 1.234 -9.305 24.387 1.00 0.00 C ATOM 671 NH1 ARG A 44 0.591 -8.482 23.566 1.00 0.00 N ATOM 672 NH2 ARG A 44 1.377 -8.987 25.672 1.00 0.00 N ATOM 0 H ARG A 44 1.665 -14.873 21.441 1.00 0.00 H new ATOM 0 HA ARG A 44 3.372 -14.539 23.654 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.608 -13.435 23.086 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.646 -12.888 24.388 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.369 -12.240 22.673 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.230 -12.678 21.415 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.137 -10.258 21.869 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.609 -11.020 22.262 1.00 0.00 H new ATOM 0 HE ARG A 44 2.271 -11.013 24.597 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.493 -8.720 22.579 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.195 -7.612 23.923 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.882 -9.613 26.299 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.981 -8.118 26.029 1.00 0.00 H new ATOM 686 N GLU A 45 0.836 -16.433 24.107 1.00 0.00 N ATOM 687 CA GLU A 45 0.165 -17.350 25.003 1.00 0.00 C ATOM 688 C GLU A 45 1.152 -18.370 25.589 1.00 0.00 C ATOM 689 O GLU A 45 0.856 -19.045 26.577 1.00 0.00 O ATOM 690 CB GLU A 45 -0.966 -18.024 24.257 1.00 0.00 C ATOM 691 CG GLU A 45 -1.993 -17.026 23.757 1.00 0.00 C ATOM 692 CD GLU A 45 -3.031 -17.640 22.878 1.00 0.00 C ATOM 693 OE1 GLU A 45 -4.015 -18.184 23.404 1.00 0.00 O ATOM 694 OE2 GLU A 45 -2.877 -17.561 21.633 1.00 0.00 O ATOM 0 H GLU A 45 0.583 -16.557 23.127 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.250 -16.800 25.847 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.561 -18.581 23.412 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.452 -18.747 24.912 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.481 -16.558 24.612 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.483 -16.234 23.208 1.00 0.00 H new ATOM 701 N LYS A 46 2.322 -18.477 24.968 1.00 0.00 N ATOM 702 CA LYS A 46 3.379 -19.297 25.460 1.00 0.00 C ATOM 703 C LYS A 46 4.067 -18.606 26.615 1.00 0.00 C ATOM 704 O LYS A 46 4.377 -17.417 26.545 1.00 0.00 O ATOM 705 CB LYS A 46 4.374 -19.574 24.349 1.00 0.00 C ATOM 706 CG LYS A 46 3.921 -20.589 23.327 1.00 0.00 C ATOM 707 CD LYS A 46 4.941 -20.722 22.211 1.00 0.00 C ATOM 708 CE LYS A 46 4.592 -21.845 21.254 1.00 0.00 C ATOM 709 NZ LYS A 46 4.618 -23.163 21.918 1.00 0.00 N ATOM 0 H LYS A 46 2.547 -17.985 24.103 1.00 0.00 H new ATOM 0 HA LYS A 46 2.967 -20.244 25.809 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.594 -18.637 23.836 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.307 -19.920 24.795 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.774 -21.556 23.808 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.958 -20.290 22.912 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.002 -19.783 21.661 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.926 -20.904 22.640 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.601 -21.670 20.834 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.296 -21.844 20.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.662 -23.913 21.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.453 -23.225 22.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.757 -23.281 22.489 1.00 0.00 H new ATOM 723 N GLU A 47 4.313 -19.330 27.660 1.00 0.00 N ATOM 724 CA GLU A 47 4.927 -18.776 28.808 1.00 0.00 C ATOM 725 C GLU A 47 6.134 -19.602 29.175 1.00 0.00 C ATOM 726 O GLU A 47 6.231 -20.762 28.786 1.00 0.00 O ATOM 727 CB GLU A 47 3.910 -18.626 29.944 1.00 0.00 C ATOM 728 CG GLU A 47 4.414 -17.974 31.216 1.00 0.00 C ATOM 729 CD GLU A 47 3.288 -17.711 32.186 1.00 0.00 C ATOM 730 OE1 GLU A 47 2.956 -18.611 32.993 1.00 0.00 O ATOM 731 OE2 GLU A 47 2.711 -16.600 32.147 1.00 0.00 O ATOM 0 H GLU A 47 4.091 -20.323 27.734 1.00 0.00 H new ATOM 0 HA GLU A 47 5.283 -17.767 28.600 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.066 -18.044 29.573 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.529 -19.616 30.195 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.158 -18.617 31.686 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.913 -17.036 30.972 1.00 0.00 H new ATOM 738 N ASN A 48 7.066 -18.986 29.880 1.00 0.00 N ATOM 739 CA ASN A 48 8.366 -19.609 30.248 1.00 0.00 C ATOM 740 C ASN A 48 9.257 -19.802 29.044 1.00 0.00 C ATOM 741 O ASN A 48 10.254 -20.504 29.093 1.00 0.00 O ATOM 742 CB ASN A 48 8.220 -20.901 31.081 1.00 0.00 C ATOM 743 CG ASN A 48 7.780 -20.624 32.504 1.00 0.00 C ATOM 744 OD1 ASN A 48 7.110 -19.633 32.781 1.00 0.00 O ATOM 745 ND2 ASN A 48 8.149 -21.484 33.414 1.00 0.00 N ATOM 0 H ASN A 48 6.960 -18.032 30.225 1.00 0.00 H new ATOM 0 HA ASN A 48 8.860 -18.896 30.908 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.496 -21.559 30.601 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.172 -21.431 31.095 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.881 -21.343 34.388 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.705 -22.297 33.151 1.00 0.00 H new ATOM 752 N GLY A 49 8.888 -19.159 27.983 1.00 0.00 N ATOM 753 CA GLY A 49 9.690 -19.095 26.813 1.00 0.00 C ATOM 754 C GLY A 49 9.898 -17.645 26.501 1.00 0.00 C ATOM 755 O GLY A 49 10.958 -17.095 26.770 1.00 0.00 O ATOM 0 H GLY A 49 8.004 -18.656 27.908 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.645 -19.596 26.973 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.200 -19.602 25.982 1.00 0.00 H new ATOM 759 N PRO A 50 8.882 -16.979 25.967 1.00 0.00 N ATOM 760 CA PRO A 50 8.923 -15.559 25.739 1.00 0.00 C ATOM 761 C PRO A 50 8.234 -14.828 26.894 1.00 0.00 C ATOM 762 O PRO A 50 7.888 -15.445 27.922 1.00 0.00 O ATOM 763 CB PRO A 50 8.066 -15.439 24.496 1.00 0.00 C ATOM 764 CG PRO A 50 6.954 -16.394 24.773 1.00 0.00 C ATOM 765 CD PRO A 50 7.593 -17.551 25.510 1.00 0.00 C ATOM 0 HA PRO A 50 9.928 -15.145 25.650 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.701 -14.422 24.352 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.618 -15.710 23.596 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.175 -15.926 25.375 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.484 -16.729 23.848 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.980 -17.885 26.347 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.741 -18.413 24.859 1.00 0.00 H new ATOM 773 N LYS A 51 8.031 -13.547 26.721 1.00 0.00 N ATOM 774 CA LYS A 51 7.298 -12.746 27.661 1.00 0.00 C ATOM 775 C LYS A 51 6.948 -11.423 27.016 1.00 0.00 C ATOM 776 O LYS A 51 5.880 -11.272 26.457 1.00 0.00 O ATOM 777 CB LYS A 51 8.060 -12.567 29.002 1.00 0.00 C ATOM 778 CG LYS A 51 7.340 -11.727 30.064 1.00 0.00 C ATOM 779 CD LYS A 51 5.982 -12.304 30.435 1.00 0.00 C ATOM 780 CE LYS A 51 5.303 -11.455 31.498 1.00 0.00 C ATOM 781 NZ LYS A 51 3.945 -11.941 31.837 1.00 0.00 N ATOM 0 H LYS A 51 8.375 -13.027 25.914 1.00 0.00 H new ATOM 0 HA LYS A 51 6.375 -13.264 27.921 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.262 -13.553 29.420 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.025 -12.106 28.792 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.962 -11.664 30.957 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.211 -10.710 29.693 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.350 -12.357 29.548 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.103 -13.323 30.801 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.917 -11.448 32.398 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.239 -10.425 31.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.528 -11.327 32.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.347 -11.923 30.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.005 -12.915 32.198 1.00 0.00 H new ATOM 795 N THR A 52 7.850 -10.494 27.066 1.00 0.00 N ATOM 796 CA THR A 52 7.644 -9.201 26.485 1.00 0.00 C ATOM 797 C THR A 52 8.842 -8.773 25.654 1.00 0.00 C ATOM 798 O THR A 52 9.866 -9.473 25.630 1.00 0.00 O ATOM 799 CB THR A 52 7.326 -8.148 27.544 1.00 0.00 C ATOM 800 OG1 THR A 52 8.336 -8.170 28.562 1.00 0.00 O ATOM 801 CG2 THR A 52 5.962 -8.385 28.163 1.00 0.00 C ATOM 0 H THR A 52 8.759 -10.611 27.515 1.00 0.00 H new ATOM 0 HA THR A 52 6.780 -9.283 25.826 1.00 0.00 H new ATOM 0 HB THR A 52 7.311 -7.170 27.062 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.132 -7.493 29.240 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.765 -7.619 28.913 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.197 -8.339 27.387 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.942 -9.368 28.634 1.00 0.00 H new ATOM 809 N VAL A 53 8.695 -7.644 24.961 1.00 0.00 N ATOM 810 CA VAL A 53 9.744 -7.041 24.116 1.00 0.00 C ATOM 811 C VAL A 53 11.070 -6.915 24.903 1.00 0.00 C ATOM 812 O VAL A 53 12.156 -7.206 24.389 1.00 0.00 O ATOM 813 CB VAL A 53 9.285 -5.616 23.651 1.00 0.00 C ATOM 814 CG1 VAL A 53 10.313 -4.956 22.756 1.00 0.00 C ATOM 815 CG2 VAL A 53 7.936 -5.676 22.941 1.00 0.00 C ATOM 0 H VAL A 53 7.828 -7.106 24.967 1.00 0.00 H new ATOM 0 HA VAL A 53 9.906 -7.683 23.250 1.00 0.00 H new ATOM 0 HB VAL A 53 9.182 -5.009 24.551 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.956 -3.971 22.456 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.253 -4.852 23.297 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.471 -5.570 21.869 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.644 -4.673 22.630 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.014 -6.319 22.065 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.185 -6.079 23.620 1.00 0.00 H new ATOM 825 N LYS A 54 10.936 -6.511 26.146 1.00 0.00 N ATOM 826 CA LYS A 54 12.041 -6.312 27.080 1.00 0.00 C ATOM 827 C LYS A 54 12.773 -7.626 27.418 1.00 0.00 C ATOM 828 O LYS A 54 14.006 -7.654 27.521 1.00 0.00 O ATOM 829 CB LYS A 54 11.448 -5.738 28.367 1.00 0.00 C ATOM 830 CG LYS A 54 12.407 -5.564 29.521 1.00 0.00 C ATOM 831 CD LYS A 54 11.635 -5.183 30.767 1.00 0.00 C ATOM 832 CE LYS A 54 12.531 -5.083 31.975 1.00 0.00 C ATOM 833 NZ LYS A 54 11.757 -4.790 33.199 1.00 0.00 N ATOM 0 H LYS A 54 10.026 -6.302 26.557 1.00 0.00 H new ATOM 0 HA LYS A 54 12.770 -5.644 26.621 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.007 -4.768 28.138 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.636 -6.389 28.691 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.959 -6.488 29.691 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.141 -4.793 29.285 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.135 -4.228 30.606 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.857 -5.923 30.952 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.077 -6.018 32.103 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.273 -4.300 31.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.403 -4.728 34.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.256 -3.886 33.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.066 -5.550 33.363 1.00 0.00 H new ATOM 847 N GLU A 55 12.012 -8.693 27.566 1.00 0.00 N ATOM 848 CA GLU A 55 12.535 -9.966 28.073 1.00 0.00 C ATOM 849 C GLU A 55 13.215 -10.809 26.995 1.00 0.00 C ATOM 850 O GLU A 55 14.087 -11.631 27.296 1.00 0.00 O ATOM 851 CB GLU A 55 11.404 -10.769 28.709 1.00 0.00 C ATOM 852 CG GLU A 55 10.683 -10.049 29.844 1.00 0.00 C ATOM 853 CD GLU A 55 11.584 -9.713 31.001 1.00 0.00 C ATOM 854 OE1 GLU A 55 11.771 -10.569 31.886 1.00 0.00 O ATOM 855 OE2 GLU A 55 12.113 -8.592 31.054 1.00 0.00 O ATOM 0 H GLU A 55 11.017 -8.712 27.342 1.00 0.00 H new ATOM 0 HA GLU A 55 13.297 -9.721 28.813 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.678 -11.025 27.938 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.809 -11.707 29.089 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.239 -9.131 29.459 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.864 -10.674 30.200 1.00 0.00 H new ATOM 862 N VAL A 56 12.841 -10.604 25.764 1.00 0.00 N ATOM 863 CA VAL A 56 13.368 -11.408 24.674 1.00 0.00 C ATOM 864 C VAL A 56 14.575 -10.713 24.051 1.00 0.00 C ATOM 865 O VAL A 56 14.573 -9.501 23.884 1.00 0.00 O ATOM 866 CB VAL A 56 12.274 -11.677 23.596 1.00 0.00 C ATOM 867 CG1 VAL A 56 12.817 -12.518 22.447 1.00 0.00 C ATOM 868 CG2 VAL A 56 11.069 -12.369 24.228 1.00 0.00 C ATOM 0 H VAL A 56 12.172 -9.888 25.480 1.00 0.00 H new ATOM 0 HA VAL A 56 13.683 -12.371 25.077 1.00 0.00 H new ATOM 0 HB VAL A 56 11.964 -10.714 23.190 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.028 -12.686 21.714 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.647 -11.994 21.973 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.166 -13.477 22.831 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.312 -12.551 23.465 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.381 -13.318 24.663 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.652 -11.732 25.008 1.00 0.00 H new ATOM 878 N LYS A 57 15.613 -11.475 23.747 1.00 0.00 N ATOM 879 CA LYS A 57 16.823 -10.925 23.184 1.00 0.00 C ATOM 880 C LYS A 57 16.943 -11.254 21.705 1.00 0.00 C ATOM 881 O LYS A 57 16.531 -12.329 21.255 1.00 0.00 O ATOM 882 CB LYS A 57 18.033 -11.443 23.939 1.00 0.00 C ATOM 883 CG LYS A 57 18.054 -11.045 25.398 1.00 0.00 C ATOM 884 CD LYS A 57 19.270 -11.596 26.102 1.00 0.00 C ATOM 885 CE LYS A 57 19.267 -11.204 27.561 1.00 0.00 C ATOM 886 NZ LYS A 57 20.424 -11.750 28.288 1.00 0.00 N ATOM 0 H LYS A 57 15.635 -12.485 23.885 1.00 0.00 H new ATOM 0 HA LYS A 57 16.779 -9.840 23.283 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.057 -12.530 23.868 1.00 0.00 H new ATOM 0 HB3 LYS A 57 18.937 -11.072 23.457 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.045 -9.958 25.480 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.151 -11.409 25.889 1.00 0.00 H new ATOM 0 HD2 LYS A 57 19.287 -12.682 26.012 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.174 -11.222 25.622 1.00 0.00 H new ATOM 0 HE2 LYS A 57 19.269 -10.117 27.643 1.00 0.00 H new ATOM 0 HE3 LYS A 57 18.348 -11.557 28.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 20.379 -11.455 29.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 20.410 -12.788 28.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 21.302 -11.393 27.861 1.00 0.00 H new ATOM 900 N LEU A 58 17.491 -10.331 20.961 1.00 0.00 N ATOM 901 CA LEU A 58 17.666 -10.481 19.536 1.00 0.00 C ATOM 902 C LEU A 58 19.179 -10.366 19.224 1.00 0.00 C ATOM 903 O LEU A 58 19.833 -9.399 19.648 1.00 0.00 O ATOM 904 CB LEU A 58 16.813 -9.379 18.826 1.00 0.00 C ATOM 905 CG LEU A 58 16.614 -9.444 17.298 1.00 0.00 C ATOM 906 CD1 LEU A 58 17.910 -9.259 16.559 1.00 0.00 C ATOM 907 CD2 LEU A 58 15.952 -10.756 16.907 1.00 0.00 C ATOM 0 H LEU A 58 17.833 -9.443 21.328 1.00 0.00 H new ATOM 0 HA LEU A 58 17.326 -11.450 19.172 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.824 -9.384 19.285 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.267 -8.415 19.056 1.00 0.00 H new ATOM 0 HG LEU A 58 15.958 -8.621 17.013 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.727 -9.311 15.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 18.335 -8.287 16.808 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.608 -10.045 16.847 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.818 -10.788 15.826 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.582 -11.589 17.219 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.981 -10.833 17.396 1.00 0.00 H new ATOM 919 N ILE A 59 19.720 -11.346 18.498 1.00 0.00 N ATOM 920 CA ILE A 59 21.150 -11.397 18.179 1.00 0.00 C ATOM 921 C ILE A 59 21.404 -11.723 16.698 1.00 0.00 C ATOM 922 O ILE A 59 20.854 -12.676 16.142 1.00 0.00 O ATOM 923 CB ILE A 59 21.905 -12.435 19.090 1.00 0.00 C ATOM 924 CG1 ILE A 59 21.884 -11.990 20.570 1.00 0.00 C ATOM 925 CG2 ILE A 59 23.328 -12.677 18.612 1.00 0.00 C ATOM 926 CD1 ILE A 59 22.701 -12.868 21.507 1.00 0.00 C ATOM 0 H ILE A 59 19.183 -12.124 18.115 1.00 0.00 H new ATOM 0 HA ILE A 59 21.544 -10.400 18.378 1.00 0.00 H new ATOM 0 HB ILE A 59 21.373 -13.383 19.013 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.257 -10.968 20.634 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.851 -11.975 20.917 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.814 -13.399 19.268 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.309 -13.066 17.594 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.883 -11.739 18.631 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.629 -12.481 22.524 1.00 0.00 H new ATOM 0 HD12 ILE A 59 22.316 -13.887 21.478 1.00 0.00 H new ATOM 0 HD13 ILE A 59 23.744 -12.865 21.191 1.00 0.00 H new ATOM 938 N SER A 60 22.218 -10.914 16.073 1.00 0.00 N ATOM 939 CA SER A 60 22.651 -11.140 14.727 1.00 0.00 C ATOM 940 C SER A 60 24.159 -11.012 14.705 1.00 0.00 C ATOM 941 O SER A 60 24.697 -10.049 15.265 1.00 0.00 O ATOM 942 CB SER A 60 22.013 -10.117 13.783 1.00 0.00 C ATOM 943 OG SER A 60 22.346 -8.790 14.160 1.00 0.00 O ATOM 0 H SER A 60 22.602 -10.068 16.494 1.00 0.00 H new ATOM 0 HA SER A 60 22.349 -12.132 14.390 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.348 -10.302 12.762 1.00 0.00 H new ATOM 0 HB3 SER A 60 20.930 -10.238 13.790 1.00 0.00 H new ATOM 0 HG SER A 60 23.246 -8.776 14.547 1.00 0.00 H new ATOM 949 N ALA A 61 24.840 -12.002 14.127 1.00 0.00 N ATOM 950 CA ALA A 61 26.314 -12.017 14.012 1.00 0.00 C ATOM 951 C ALA A 61 26.976 -12.067 15.395 1.00 0.00 C ATOM 952 O ALA A 61 28.158 -11.752 15.558 1.00 0.00 O ATOM 953 CB ALA A 61 26.811 -10.817 13.201 1.00 0.00 C ATOM 0 H ALA A 61 24.391 -12.823 13.721 1.00 0.00 H new ATOM 0 HA ALA A 61 26.600 -12.923 13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.898 -10.851 13.131 1.00 0.00 H new ATOM 0 HB2 ALA A 61 26.381 -10.851 12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.508 -9.894 13.694 1.00 0.00 H new ATOM 959 N GLY A 62 26.210 -12.501 16.375 1.00 0.00 N ATOM 960 CA GLY A 62 26.695 -12.592 17.729 1.00 0.00 C ATOM 961 C GLY A 62 26.588 -11.279 18.477 1.00 0.00 C ATOM 962 O GLY A 62 27.113 -11.145 19.580 1.00 0.00 O ATOM 0 H GLY A 62 25.242 -12.798 16.253 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.130 -13.357 18.262 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.736 -12.915 17.717 1.00 0.00 H new ATOM 966 N LYS A 63 25.919 -10.302 17.880 1.00 0.00 N ATOM 967 CA LYS A 63 25.747 -9.009 18.475 1.00 0.00 C ATOM 968 C LYS A 63 24.347 -8.895 19.018 1.00 0.00 C ATOM 969 O LYS A 63 23.400 -9.349 18.380 1.00 0.00 O ATOM 970 CB LYS A 63 25.976 -7.887 17.445 1.00 0.00 C ATOM 971 CG LYS A 63 27.429 -7.381 17.157 1.00 0.00 C ATOM 972 CD LYS A 63 28.414 -8.425 16.610 1.00 0.00 C ATOM 973 CE LYS A 63 29.031 -9.289 17.697 1.00 0.00 C ATOM 974 NZ LYS A 63 29.936 -10.316 17.135 1.00 0.00 N ATOM 0 H LYS A 63 25.482 -10.398 16.963 1.00 0.00 H new ATOM 0 HA LYS A 63 26.479 -8.901 19.276 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.555 -8.224 16.498 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.389 -7.026 17.766 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.370 -6.558 16.444 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.839 -6.974 18.081 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.896 -9.065 15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.208 -7.916 16.064 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.585 -8.658 18.392 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.240 -9.775 18.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.477 -10.760 17.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.376 -11.041 16.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.592 -9.870 16.463 1.00 0.00 H new ATOM 988 N VAL A 64 24.217 -8.305 20.172 1.00 0.00 N ATOM 989 CA VAL A 64 22.931 -8.108 20.789 1.00 0.00 C ATOM 990 C VAL A 64 22.373 -6.786 20.316 1.00 0.00 C ATOM 991 O VAL A 64 23.008 -5.730 20.478 1.00 0.00 O ATOM 992 CB VAL A 64 23.028 -8.088 22.341 1.00 0.00 C ATOM 993 CG1 VAL A 64 21.649 -7.943 22.976 1.00 0.00 C ATOM 994 CG2 VAL A 64 23.732 -9.331 22.861 1.00 0.00 C ATOM 0 H VAL A 64 25.001 -7.945 20.716 1.00 0.00 H new ATOM 0 HA VAL A 64 22.283 -8.938 20.506 1.00 0.00 H new ATOM 0 HB VAL A 64 23.623 -7.219 22.624 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.748 -7.932 24.061 1.00 0.00 H new ATOM 0 HG12 VAL A 64 21.192 -7.011 22.644 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.021 -8.782 22.677 1.00 0.00 H new ATOM 0 HG21 VAL A 64 23.786 -9.290 23.949 1.00 0.00 H new ATOM 0 HG22 VAL A 64 23.176 -10.218 22.558 1.00 0.00 H new ATOM 0 HG23 VAL A 64 24.740 -9.377 22.449 1.00 0.00 H new ATOM 1004 N LEU A 65 21.228 -6.828 19.715 1.00 0.00 N ATOM 1005 CA LEU A 65 20.618 -5.650 19.236 1.00 0.00 C ATOM 1006 C LEU A 65 19.885 -4.939 20.344 1.00 0.00 C ATOM 1007 O LEU A 65 18.913 -5.451 20.900 1.00 0.00 O ATOM 1008 CB LEU A 65 19.731 -5.904 18.011 1.00 0.00 C ATOM 1009 CG LEU A 65 20.456 -6.262 16.698 1.00 0.00 C ATOM 1010 CD1 LEU A 65 21.136 -7.612 16.759 1.00 0.00 C ATOM 1011 CD2 LEU A 65 19.528 -6.156 15.494 1.00 0.00 C ATOM 0 H LEU A 65 20.697 -7.683 19.547 1.00 0.00 H new ATOM 0 HA LEU A 65 21.411 -4.987 18.890 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.041 -6.713 18.251 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.128 -5.013 17.836 1.00 0.00 H new ATOM 0 HG LEU A 65 21.246 -5.521 16.570 1.00 0.00 H new ATOM 0 HD11 LEU A 65 21.631 -7.814 15.809 1.00 0.00 H new ATOM 0 HD12 LEU A 65 21.875 -7.611 17.560 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.393 -8.385 16.952 1.00 0.00 H new ATOM 0 HD21 LEU A 65 20.076 -6.416 14.588 1.00 0.00 H new ATOM 0 HD22 LEU A 65 18.689 -6.841 15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.154 -5.135 15.412 1.00 0.00 H new ATOM 1023 N GLU A 66 20.389 -3.780 20.667 1.00 0.00 N ATOM 1024 CA GLU A 66 19.866 -2.949 21.718 1.00 0.00 C ATOM 1025 C GLU A 66 18.600 -2.276 21.144 1.00 0.00 C ATOM 1026 O GLU A 66 18.566 -1.961 19.955 1.00 0.00 O ATOM 1027 CB GLU A 66 20.974 -1.930 22.061 1.00 0.00 C ATOM 1028 CG GLU A 66 20.931 -1.311 23.448 1.00 0.00 C ATOM 1029 CD GLU A 66 19.712 -0.514 23.725 1.00 0.00 C ATOM 1030 OE1 GLU A 66 19.639 0.640 23.268 1.00 0.00 O ATOM 1031 OE2 GLU A 66 18.816 -1.022 24.400 1.00 0.00 O ATOM 0 H GLU A 66 21.197 -3.376 20.194 1.00 0.00 H new ATOM 0 HA GLU A 66 19.596 -3.485 22.628 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.938 -2.423 21.939 1.00 0.00 H new ATOM 0 HB3 GLU A 66 20.933 -1.124 21.328 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.007 -2.106 24.190 1.00 0.00 H new ATOM 0 HG3 GLU A 66 21.805 -0.672 23.575 1.00 0.00 H new ATOM 1038 N ASN A 67 17.585 -2.049 21.965 1.00 0.00 N ATOM 1039 CA ASN A 67 16.270 -1.601 21.458 1.00 0.00 C ATOM 1040 C ASN A 67 16.321 -0.225 20.805 1.00 0.00 C ATOM 1041 O ASN A 67 15.531 0.065 19.899 1.00 0.00 O ATOM 1042 CB ASN A 67 15.160 -1.645 22.544 1.00 0.00 C ATOM 1043 CG ASN A 67 15.222 -0.537 23.600 1.00 0.00 C ATOM 1044 OD1 ASN A 67 16.274 -0.009 23.926 1.00 0.00 O ATOM 1045 ND2 ASN A 67 14.080 -0.196 24.144 1.00 0.00 N ATOM 0 H ASN A 67 17.632 -2.163 22.978 1.00 0.00 H new ATOM 0 HA ASN A 67 16.007 -2.322 20.684 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.190 -1.596 22.049 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.211 -2.609 23.051 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.053 0.529 24.861 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.218 -0.655 23.851 1.00 0.00 H new ATOM 1052 N SER A 68 17.263 0.599 21.223 1.00 0.00 N ATOM 1053 CA SER A 68 17.379 1.953 20.708 1.00 0.00 C ATOM 1054 C SER A 68 18.175 1.981 19.385 1.00 0.00 C ATOM 1055 O SER A 68 18.430 3.049 18.812 1.00 0.00 O ATOM 1056 CB SER A 68 18.043 2.834 21.762 1.00 0.00 C ATOM 1057 OG SER A 68 17.346 2.728 23.007 1.00 0.00 O ATOM 0 H SER A 68 17.964 0.354 21.922 1.00 0.00 H new ATOM 0 HA SER A 68 16.382 2.338 20.492 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.083 2.535 21.893 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.049 3.871 21.428 1.00 0.00 H new ATOM 0 HG SER A 68 17.071 1.798 23.150 1.00 0.00 H new ATOM 1063 N LYS A 69 18.553 0.812 18.911 1.00 0.00 N ATOM 1064 CA LYS A 69 19.278 0.673 17.682 1.00 0.00 C ATOM 1065 C LYS A 69 18.352 0.445 16.510 1.00 0.00 C ATOM 1066 O LYS A 69 17.164 0.150 16.676 1.00 0.00 O ATOM 1067 CB LYS A 69 20.273 -0.474 17.782 1.00 0.00 C ATOM 1068 CG LYS A 69 21.483 -0.195 18.644 1.00 0.00 C ATOM 1069 CD LYS A 69 22.320 0.885 18.008 1.00 0.00 C ATOM 1070 CE LYS A 69 23.595 1.149 18.764 1.00 0.00 C ATOM 1071 NZ LYS A 69 24.434 2.130 18.053 1.00 0.00 N ATOM 0 H LYS A 69 18.359 -0.073 19.379 1.00 0.00 H new ATOM 0 HA LYS A 69 19.815 1.606 17.512 1.00 0.00 H new ATOM 0 HB2 LYS A 69 19.758 -1.349 18.178 1.00 0.00 H new ATOM 0 HB3 LYS A 69 20.612 -0.730 16.778 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.168 0.115 19.641 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.074 -1.103 18.764 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.561 0.597 16.985 1.00 0.00 H new ATOM 0 HD3 LYS A 69 21.738 1.805 17.952 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.361 1.520 19.762 1.00 0.00 H new ATOM 0 HE3 LYS A 69 24.146 0.217 18.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 25.149 2.512 18.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 24.908 1.666 17.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 23.838 2.906 17.700 1.00 0.00 H new ATOM 1085 N THR A 70 18.893 0.600 15.339 1.00 0.00 N ATOM 1086 CA THR A 70 18.178 0.354 14.130 1.00 0.00 C ATOM 1087 C THR A 70 18.847 -0.858 13.466 1.00 0.00 C ATOM 1088 O THR A 70 19.990 -1.184 13.816 1.00 0.00 O ATOM 1089 CB THR A 70 18.298 1.570 13.202 1.00 0.00 C ATOM 1090 OG1 THR A 70 18.154 2.784 13.971 1.00 0.00 O ATOM 1091 CG2 THR A 70 17.199 1.562 12.178 1.00 0.00 C ATOM 0 H THR A 70 19.856 0.905 15.198 1.00 0.00 H new ATOM 0 HA THR A 70 17.122 0.171 14.327 1.00 0.00 H new ATOM 0 HB THR A 70 19.272 1.524 12.714 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.233 3.559 13.376 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.300 2.432 11.529 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.265 0.653 11.580 1.00 0.00 H new ATOM 0 HG23 THR A 70 16.233 1.595 12.681 1.00 0.00 H new ATOM 1099 N VAL A 71 18.173 -1.513 12.521 1.00 0.00 N ATOM 1100 CA VAL A 71 18.756 -2.694 11.852 1.00 0.00 C ATOM 1101 C VAL A 71 20.012 -2.278 11.083 1.00 0.00 C ATOM 1102 O VAL A 71 21.037 -2.963 11.100 1.00 0.00 O ATOM 1103 CB VAL A 71 17.741 -3.373 10.878 1.00 0.00 C ATOM 1104 CG1 VAL A 71 18.370 -4.572 10.170 1.00 0.00 C ATOM 1105 CG2 VAL A 71 16.489 -3.808 11.625 1.00 0.00 C ATOM 0 H VAL A 71 17.239 -1.258 12.200 1.00 0.00 H new ATOM 0 HA VAL A 71 19.012 -3.422 12.622 1.00 0.00 H new ATOM 0 HB VAL A 71 17.465 -2.636 10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.639 -5.023 9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 71 19.235 -4.242 9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 71 18.685 -5.307 10.910 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.795 -4.279 10.929 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.759 -4.520 12.405 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.014 -2.937 12.078 1.00 0.00 H new ATOM 1115 N LYS A 72 19.909 -1.128 10.452 1.00 0.00 N ATOM 1116 CA LYS A 72 20.972 -0.503 9.681 1.00 0.00 C ATOM 1117 C LYS A 72 22.282 -0.364 10.481 1.00 0.00 C ATOM 1118 O LYS A 72 23.367 -0.473 9.916 1.00 0.00 O ATOM 1119 CB LYS A 72 20.497 0.878 9.232 1.00 0.00 C ATOM 1120 CG LYS A 72 21.497 1.665 8.400 1.00 0.00 C ATOM 1121 CD LYS A 72 20.949 3.031 8.021 1.00 0.00 C ATOM 1122 CE LYS A 72 20.663 3.889 9.247 1.00 0.00 C ATOM 1123 NZ LYS A 72 20.117 5.201 8.877 1.00 0.00 N ATOM 0 H LYS A 72 19.050 -0.578 10.460 1.00 0.00 H new ATOM 0 HA LYS A 72 21.189 -1.142 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.580 0.760 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.243 1.463 10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.424 1.786 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.741 1.106 7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.665 3.544 7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.033 2.907 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.957 3.371 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.581 4.025 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.935 5.756 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.801 5.705 8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.228 5.072 8.354 1.00 0.00 H new ATOM 1137 N ASP A 73 22.169 -0.149 11.790 1.00 0.00 N ATOM 1138 CA ASP A 73 23.352 0.109 12.631 1.00 0.00 C ATOM 1139 C ASP A 73 24.253 -1.110 12.735 1.00 0.00 C ATOM 1140 O ASP A 73 25.473 -0.987 12.815 1.00 0.00 O ATOM 1141 CB ASP A 73 22.953 0.604 14.024 1.00 0.00 C ATOM 1142 CG ASP A 73 24.154 1.004 14.878 1.00 0.00 C ATOM 1143 OD1 ASP A 73 24.782 2.046 14.591 1.00 0.00 O ATOM 1144 OD2 ASP A 73 24.496 0.291 15.841 1.00 0.00 O ATOM 0 H ASP A 73 21.282 -0.147 12.294 1.00 0.00 H new ATOM 0 HA ASP A 73 23.920 0.899 12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.284 1.459 13.923 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.394 -0.179 14.536 1.00 0.00 H new ATOM 1149 N TYR A 74 23.662 -2.282 12.711 1.00 0.00 N ATOM 1150 CA TYR A 74 24.429 -3.502 12.784 1.00 0.00 C ATOM 1151 C TYR A 74 24.636 -4.116 11.412 1.00 0.00 C ATOM 1152 O TYR A 74 25.479 -5.005 11.240 1.00 0.00 O ATOM 1153 CB TYR A 74 23.771 -4.521 13.704 1.00 0.00 C ATOM 1154 CG TYR A 74 23.839 -4.200 15.181 1.00 0.00 C ATOM 1155 CD1 TYR A 74 25.025 -4.368 15.880 1.00 0.00 C ATOM 1156 CD2 TYR A 74 22.725 -3.759 15.880 1.00 0.00 C ATOM 1157 CE1 TYR A 74 25.105 -4.103 17.230 1.00 0.00 C ATOM 1158 CE2 TYR A 74 22.794 -3.497 17.237 1.00 0.00 C ATOM 1159 CZ TYR A 74 23.989 -3.676 17.905 1.00 0.00 C ATOM 1160 OH TYR A 74 24.067 -3.423 19.259 1.00 0.00 O ATOM 0 H TYR A 74 22.653 -2.416 12.642 1.00 0.00 H new ATOM 0 HA TYR A 74 25.402 -3.233 13.196 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.724 -4.620 13.419 1.00 0.00 H new ATOM 0 HB3 TYR A 74 24.240 -5.491 13.538 1.00 0.00 H new ATOM 0 HD1 TYR A 74 25.904 -4.714 15.356 1.00 0.00 H new ATOM 0 HD2 TYR A 74 21.790 -3.618 15.358 1.00 0.00 H new ATOM 0 HE1 TYR A 74 26.041 -4.231 17.754 1.00 0.00 H new ATOM 0 HE2 TYR A 74 21.919 -3.155 17.770 1.00 0.00 H new ATOM 0 HH TYR A 74 23.727 -4.196 19.756 1.00 0.00 H new ATOM 1170 N ARG A 75 23.887 -3.643 10.441 1.00 0.00 N ATOM 1171 CA ARG A 75 23.916 -4.186 9.137 1.00 0.00 C ATOM 1172 C ARG A 75 25.142 -3.710 8.369 1.00 0.00 C ATOM 1173 O ARG A 75 25.540 -2.544 8.465 1.00 0.00 O ATOM 1174 CB ARG A 75 22.657 -3.781 8.392 1.00 0.00 C ATOM 1175 CG ARG A 75 22.538 -4.477 7.094 1.00 0.00 C ATOM 1176 CD ARG A 75 21.318 -4.067 6.304 1.00 0.00 C ATOM 1177 NE ARG A 75 21.377 -2.675 5.812 1.00 0.00 N ATOM 1178 CZ ARG A 75 21.373 -2.340 4.500 1.00 0.00 C ATOM 1179 NH1 ARG A 75 21.535 -3.286 3.574 1.00 0.00 N ATOM 1180 NH2 ARG A 75 21.255 -1.073 4.129 1.00 0.00 N ATOM 0 H ARG A 75 23.240 -2.862 10.554 1.00 0.00 H new ATOM 0 HA ARG A 75 23.967 -5.272 9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.784 -4.005 9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 75 22.663 -2.704 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 75 23.430 -4.278 6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.504 -5.552 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.202 -4.740 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.433 -4.186 6.929 1.00 0.00 H new ATOM 0 HE ARG A 75 21.423 -1.923 6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.661 -4.258 3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.532 -3.037 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 75 21.166 -0.341 4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 75 21.253 -0.830 3.138 1.00 0.00 H new ATOM 1306 N VAL A 85 17.462 -11.921 1.858 1.00 0.00 N ATOM 1307 CA VAL A 85 17.109 -12.574 3.089 1.00 0.00 C ATOM 1308 C VAL A 85 18.296 -12.596 4.041 1.00 0.00 C ATOM 1309 O VAL A 85 19.419 -12.925 3.656 1.00 0.00 O ATOM 1310 CB VAL A 85 16.589 -14.019 2.864 1.00 0.00 C ATOM 1311 CG1 VAL A 85 16.092 -14.633 4.174 1.00 0.00 C ATOM 1312 CG2 VAL A 85 15.494 -14.047 1.814 1.00 0.00 C ATOM 0 HA VAL A 85 16.297 -11.996 3.531 1.00 0.00 H new ATOM 0 HB VAL A 85 17.424 -14.619 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 85 15.733 -15.645 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.909 -14.664 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.279 -14.028 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 85 15.148 -15.071 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.661 -13.424 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.885 -13.666 0.870 1.00 0.00 H new ATOM 1322 N THR A 86 18.041 -12.215 5.250 1.00 0.00 N ATOM 1323 CA THR A 86 18.998 -12.199 6.302 1.00 0.00 C ATOM 1324 C THR A 86 18.533 -13.162 7.406 1.00 0.00 C ATOM 1325 O THR A 86 17.337 -13.207 7.744 1.00 0.00 O ATOM 1326 CB THR A 86 19.112 -10.768 6.887 1.00 0.00 C ATOM 1327 OG1 THR A 86 19.430 -9.841 5.830 1.00 0.00 O ATOM 1328 CG2 THR A 86 20.196 -10.694 7.959 1.00 0.00 C ATOM 0 H THR A 86 17.118 -11.893 5.542 1.00 0.00 H new ATOM 0 HA THR A 86 19.971 -12.507 5.918 1.00 0.00 H new ATOM 0 HB THR A 86 18.156 -10.510 7.342 1.00 0.00 H new ATOM 0 HG1 THR A 86 19.500 -8.936 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.252 -9.678 8.350 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.954 -11.382 8.769 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.157 -10.969 7.524 1.00 0.00 H new ATOM 1336 N THR A 87 19.446 -13.923 7.938 1.00 0.00 N ATOM 1337 CA THR A 87 19.152 -14.811 9.018 1.00 0.00 C ATOM 1338 C THR A 87 19.496 -14.134 10.335 1.00 0.00 C ATOM 1339 O THR A 87 20.632 -13.729 10.566 1.00 0.00 O ATOM 1340 CB THR A 87 19.934 -16.128 8.865 1.00 0.00 C ATOM 1341 OG1 THR A 87 19.452 -16.830 7.711 1.00 0.00 O ATOM 1342 CG2 THR A 87 19.797 -17.009 10.091 1.00 0.00 C ATOM 0 H THR A 87 20.419 -13.943 7.631 1.00 0.00 H new ATOM 0 HA THR A 87 18.089 -15.050 9.006 1.00 0.00 H new ATOM 0 HB THR A 87 20.990 -15.885 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 87 19.948 -17.669 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.363 -17.929 9.943 1.00 0.00 H new ATOM 0 HG22 THR A 87 20.183 -16.481 10.963 1.00 0.00 H new ATOM 0 HG23 THR A 87 18.746 -17.251 10.249 1.00 0.00 H new ATOM 1350 N MET A 88 18.508 -13.992 11.165 1.00 0.00 N ATOM 1351 CA MET A 88 18.652 -13.336 12.424 1.00 0.00 C ATOM 1352 C MET A 88 18.271 -14.304 13.528 1.00 0.00 C ATOM 1353 O MET A 88 17.377 -15.127 13.344 1.00 0.00 O ATOM 1354 CB MET A 88 17.783 -12.090 12.413 1.00 0.00 C ATOM 1355 CG MET A 88 17.811 -11.259 13.663 1.00 0.00 C ATOM 1356 SD MET A 88 16.883 -9.724 13.461 1.00 0.00 S ATOM 1357 CE MET A 88 17.874 -8.876 12.230 1.00 0.00 C ATOM 0 H MET A 88 17.565 -14.335 10.982 1.00 0.00 H new ATOM 0 HA MET A 88 19.682 -13.027 12.604 1.00 0.00 H new ATOM 0 HB2 MET A 88 18.091 -11.463 11.576 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.753 -12.391 12.223 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.393 -11.832 14.491 1.00 0.00 H new ATOM 0 HG3 MET A 88 18.844 -11.029 13.925 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.578 -7.828 12.183 1.00 0.00 H new ATOM 0 HE2 MET A 88 18.927 -8.943 12.502 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.720 -9.340 11.256 1.00 0.00 H new ATOM 1367 N HIS A 89 18.968 -14.254 14.637 1.00 0.00 N ATOM 1368 CA HIS A 89 18.735 -15.199 15.706 1.00 0.00 C ATOM 1369 C HIS A 89 18.005 -14.573 16.865 1.00 0.00 C ATOM 1370 O HIS A 89 18.288 -13.444 17.269 1.00 0.00 O ATOM 1371 CB HIS A 89 20.050 -15.837 16.180 1.00 0.00 C ATOM 1372 CG HIS A 89 20.721 -16.658 15.128 1.00 0.00 C ATOM 1373 ND1 HIS A 89 21.835 -16.241 14.422 1.00 0.00 N ATOM 1374 CD2 HIS A 89 20.419 -17.882 14.654 1.00 0.00 C ATOM 1375 CE1 HIS A 89 22.176 -17.177 13.561 1.00 0.00 C ATOM 1376 NE2 HIS A 89 21.334 -18.179 13.685 1.00 0.00 N ATOM 0 H HIS A 89 19.701 -13.570 14.824 1.00 0.00 H new ATOM 0 HA HIS A 89 18.097 -15.984 15.300 1.00 0.00 H new ATOM 0 HB2 HIS A 89 20.730 -15.050 16.506 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.849 -16.465 17.048 1.00 0.00 H new ATOM 0 HD2 HIS A 89 19.604 -18.512 14.980 1.00 0.00 H new ATOM 0 HE1 HIS A 89 23.005 -17.130 12.871 1.00 0.00 H new ATOM 0 HE2 HIS A 89 21.360 -19.042 13.143 1.00 0.00 H new ATOM 1385 N VAL A 90 17.059 -15.298 17.378 1.00 0.00 N ATOM 1386 CA VAL A 90 16.311 -14.875 18.531 1.00 0.00 C ATOM 1387 C VAL A 90 16.723 -15.727 19.680 1.00 0.00 C ATOM 1388 O VAL A 90 16.806 -16.951 19.567 1.00 0.00 O ATOM 1389 CB VAL A 90 14.777 -14.973 18.309 1.00 0.00 C ATOM 1390 CG1 VAL A 90 14.009 -14.527 19.547 1.00 0.00 C ATOM 1391 CG2 VAL A 90 14.363 -14.148 17.114 1.00 0.00 C ATOM 0 H VAL A 90 16.779 -16.207 17.009 1.00 0.00 H new ATOM 0 HA VAL A 90 16.527 -13.825 18.726 1.00 0.00 H new ATOM 0 HB VAL A 90 14.534 -16.018 18.119 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.938 -14.607 19.359 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.278 -15.162 20.391 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.260 -13.492 19.778 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.285 -14.228 16.973 1.00 0.00 H new ATOM 0 HG22 VAL A 90 14.631 -13.105 17.282 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.874 -14.515 16.224 1.00 0.00 H new ATOM 1401 N ILE A 91 17.008 -15.090 20.751 1.00 0.00 N ATOM 1402 CA ILE A 91 17.469 -15.736 21.914 1.00 0.00 C ATOM 1403 C ILE A 91 16.390 -15.741 22.956 1.00 0.00 C ATOM 1404 O ILE A 91 15.956 -14.682 23.458 1.00 0.00 O ATOM 1405 CB ILE A 91 18.733 -15.042 22.426 1.00 0.00 C ATOM 1406 CG1 ILE A 91 19.885 -15.192 21.415 1.00 0.00 C ATOM 1407 CG2 ILE A 91 19.143 -15.534 23.809 1.00 0.00 C ATOM 1408 CD1 ILE A 91 20.280 -16.629 21.107 1.00 0.00 C ATOM 0 H ILE A 91 16.924 -14.078 20.844 1.00 0.00 H new ATOM 0 HA ILE A 91 17.720 -16.771 21.683 1.00 0.00 H new ATOM 0 HB ILE A 91 18.501 -13.982 22.528 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.600 -14.701 20.485 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.758 -14.664 21.799 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.045 -15.012 24.128 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.339 -15.337 24.518 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.339 -16.606 23.771 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.098 -16.635 20.386 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.601 -17.123 22.024 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.425 -17.160 20.689 1.00 0.00 H new ATOM 1420 N ILE A 92 15.958 -16.917 23.271 1.00 0.00 N ATOM 1421 CA ILE A 92 14.916 -17.116 24.207 1.00 0.00 C ATOM 1422 C ILE A 92 15.493 -17.323 25.598 1.00 0.00 C ATOM 1423 O ILE A 92 16.127 -18.340 25.884 1.00 0.00 O ATOM 1424 CB ILE A 92 14.033 -18.331 23.803 1.00 0.00 C ATOM 1425 CG1 ILE A 92 13.376 -18.108 22.423 1.00 0.00 C ATOM 1426 CG2 ILE A 92 12.986 -18.630 24.856 1.00 0.00 C ATOM 1427 CD1 ILE A 92 12.452 -16.899 22.349 1.00 0.00 C ATOM 0 H ILE A 92 16.331 -17.780 22.874 1.00 0.00 H new ATOM 0 HA ILE A 92 14.287 -16.226 24.214 1.00 0.00 H new ATOM 0 HB ILE A 92 14.688 -19.199 23.730 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.161 -17.995 21.675 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.808 -19.000 22.157 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.387 -19.485 24.541 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.477 -18.859 25.802 1.00 0.00 H new ATOM 0 HG23 ILE A 92 12.340 -17.761 24.984 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.036 -16.820 21.345 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.642 -17.015 23.069 1.00 0.00 H new ATOM 0 HD13 ILE A 92 13.016 -15.995 22.580 1.00 0.00 H new ATOM 1439 N GLN A 93 15.322 -16.338 26.426 1.00 0.00 N ATOM 1440 CA GLN A 93 15.710 -16.417 27.798 1.00 0.00 C ATOM 1441 C GLN A 93 14.461 -16.413 28.611 1.00 0.00 C ATOM 1442 O GLN A 93 13.743 -15.422 28.638 1.00 0.00 O ATOM 1443 CB GLN A 93 16.628 -15.251 28.199 1.00 0.00 C ATOM 1444 CG GLN A 93 17.990 -15.280 27.524 1.00 0.00 C ATOM 1445 CD GLN A 93 18.799 -16.515 27.901 1.00 0.00 C ATOM 1446 OE1 GLN A 93 18.668 -17.051 29.004 1.00 0.00 O ATOM 1447 NE2 GLN A 93 19.632 -16.978 26.996 1.00 0.00 N ATOM 0 H GLN A 93 14.903 -15.446 26.163 1.00 0.00 H new ATOM 0 HA GLN A 93 16.282 -17.329 27.970 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.133 -14.311 27.956 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.768 -15.267 29.280 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.857 -15.252 26.442 1.00 0.00 H new ATOM 0 HG3 GLN A 93 18.548 -14.385 27.800 1.00 0.00 H new ATOM 0 HE21 GLN A 93 19.716 -16.510 26.093 1.00 0.00 H new ATOM 0 HE22 GLN A 93 20.195 -17.805 27.196 1.00 0.00 H new ATOM 1456 N ALA A 94 14.190 -17.527 29.228 1.00 0.00 N ATOM 1457 CA ALA A 94 12.993 -17.706 30.010 1.00 0.00 C ATOM 1458 C ALA A 94 13.062 -16.902 31.296 1.00 0.00 C ATOM 1459 O ALA A 94 13.891 -17.191 32.174 1.00 0.00 O ATOM 1460 CB ALA A 94 12.802 -19.174 30.320 1.00 0.00 C ATOM 0 H ALA A 94 14.797 -18.346 29.204 1.00 0.00 H new ATOM 0 HA ALA A 94 12.142 -17.346 29.432 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.896 -19.306 30.911 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.712 -19.734 29.389 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.660 -19.542 30.883 1.00 0.00 H new