USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 78 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 LYS NZ :NH3+ -116:sc= -0.213 (180deg=-2.47!) USER MOD Set 2.1: A 31 ASN : amide:sc= -0.46 K(o=-0.56,f=-5.1!) USER MOD Set 2.2: A 33 SER OG : rot 180:sc= -0.105 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 172:sc= -1.98! (180deg=-0.203) USER MOD Set 3.2: A 49 GLN : amide:sc= -2.11! C(o=-4.1!,f=-11!) USER MOD Single : A 8 SER OG : rot 30:sc= 0.0302 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -155:sc=-0.00609 (180deg=-0.917) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 30 GLN : amide:sc= -0.0766 K(o=-0.077,f=-1.7!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= -0.0585 (180deg=-0.362) USER MOD Single : A 41 THR OG1 : rot 78:sc= 0.958 USER MOD Single : A 44 GLN : amide:sc= -0.0523 K(o=-0.052,f=-1.4) USER MOD Single : A 73 GLN : amide:sc= -2.11 K(o=-2.1,f=-7.5!) USER MOD Single : A 74 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.354 15.854 -1.371 1.00 0.00 N ATOM 67 CA SER A 8 5.471 15.107 -0.483 1.00 0.00 C ATOM 68 C SER A 8 4.406 14.360 -1.280 1.00 0.00 C ATOM 69 O SER A 8 4.140 13.184 -1.031 1.00 0.00 O ATOM 70 CB SER A 8 4.805 16.051 0.520 1.00 0.00 C ATOM 71 OG SER A 8 5.768 16.670 1.355 1.00 0.00 O ATOM 0 HA SER A 8 6.073 14.378 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.239 16.814 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.094 15.495 1.130 1.00 0.00 H new ATOM 0 HG SER A 8 6.613 16.761 0.868 1.00 0.00 H new ATOM 77 N ILE A 9 3.798 15.053 -2.238 1.00 0.00 N ATOM 78 CA ILE A 9 2.762 14.455 -3.072 1.00 0.00 C ATOM 79 C ILE A 9 3.211 13.105 -3.621 1.00 0.00 C ATOM 80 O ILE A 9 2.543 12.089 -3.423 1.00 0.00 O ATOM 81 CB ILE A 9 2.386 15.375 -4.248 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.611 16.594 -3.743 1.00 0.00 C ATOM 83 CG2 ILE A 9 1.570 14.611 -5.279 1.00 0.00 C ATOM 84 CD1 ILE A 9 2.479 17.613 -3.039 1.00 0.00 C ATOM 0 H ILE A 9 4.005 16.028 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 9 1.887 14.314 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 9 3.302 15.723 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.114 17.073 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.830 16.260 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.312 15.275 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.155 13.773 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.657 14.237 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.863 18.449 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.956 17.150 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.244 17.975 -3.725 1.00 0.00 H new ATOM 96 N LEU A 10 4.346 13.100 -4.311 1.00 0.00 N ATOM 97 CA LEU A 10 4.885 11.874 -4.887 1.00 0.00 C ATOM 98 C LEU A 10 5.269 10.881 -3.795 1.00 0.00 C ATOM 99 O LEU A 10 5.144 9.668 -3.971 1.00 0.00 O ATOM 100 CB LEU A 10 6.105 12.189 -5.756 1.00 0.00 C ATOM 101 CG LEU A 10 5.816 12.528 -7.219 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.915 13.413 -7.788 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.672 11.258 -8.044 1.00 0.00 C ATOM 0 H LEU A 10 4.911 13.931 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 10 4.110 11.423 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.639 13.027 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.777 11.331 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 10 4.875 13.075 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.693 13.644 -8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.970 14.338 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.870 12.891 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.467 11.520 -9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.596 10.683 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.850 10.660 -7.651 1.00 0.00 H new ATOM 115 N LYS A 11 5.734 11.402 -2.665 1.00 0.00 N ATOM 116 CA LYS A 11 6.133 10.563 -1.541 1.00 0.00 C ATOM 117 C LYS A 11 4.936 9.803 -0.979 1.00 0.00 C ATOM 118 O LYS A 11 5.094 8.898 -0.159 1.00 0.00 O ATOM 119 CB LYS A 11 6.771 11.416 -0.442 1.00 0.00 C ATOM 120 CG LYS A 11 8.240 11.717 -0.683 1.00 0.00 C ATOM 121 CD LYS A 11 8.757 12.773 0.279 1.00 0.00 C ATOM 122 CE LYS A 11 10.197 13.151 -0.030 1.00 0.00 C ATOM 123 NZ LYS A 11 11.164 12.174 0.545 1.00 0.00 N ATOM 0 H LYS A 11 5.844 12.403 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 11 6.865 9.840 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.225 12.356 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.666 10.901 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.823 10.803 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.379 12.058 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.126 13.660 0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.689 12.400 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.334 13.205 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.405 14.144 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.134 12.468 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.051 12.141 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.983 11.231 0.147 1.00 0.00 H new ATOM 137 N ILE A 12 3.741 10.175 -1.426 1.00 0.00 N ATOM 138 CA ILE A 12 2.519 9.525 -0.969 1.00 0.00 C ATOM 139 C ILE A 12 1.754 8.909 -2.136 1.00 0.00 C ATOM 140 O ILE A 12 1.041 7.920 -1.970 1.00 0.00 O ATOM 141 CB ILE A 12 1.598 10.516 -0.232 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.406 11.358 0.757 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.486 9.768 0.488 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.767 12.691 1.078 1.00 0.00 C ATOM 0 H ILE A 12 3.593 10.923 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 12 2.819 8.737 -0.279 1.00 0.00 H new ATOM 0 HB ILE A 12 1.146 11.184 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.535 10.794 1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.401 11.530 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.157 10.481 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.103 9.207 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.921 9.080 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.394 13.234 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.662 13.274 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.783 12.526 1.518 1.00 0.00 H new ATOM 156 N GLU A 13 1.909 9.500 -3.316 1.00 0.00 N ATOM 157 CA GLU A 13 1.234 9.009 -4.511 1.00 0.00 C ATOM 158 C GLU A 13 1.798 7.656 -4.937 1.00 0.00 C ATOM 159 O GLU A 13 1.068 6.790 -5.420 1.00 0.00 O ATOM 160 CB GLU A 13 1.375 10.015 -5.655 1.00 0.00 C ATOM 161 CG GLU A 13 2.604 9.788 -6.518 1.00 0.00 C ATOM 162 CD GLU A 13 2.350 8.813 -7.651 1.00 0.00 C ATOM 163 OE1 GLU A 13 1.228 8.821 -8.199 1.00 0.00 O ATOM 164 OE2 GLU A 13 3.273 8.044 -7.990 1.00 0.00 O ATOM 0 H GLU A 13 2.496 10.320 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 13 0.177 8.886 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.486 9.964 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.415 11.022 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.934 10.741 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.416 9.412 -5.895 1.00 0.00 H new ATOM 171 N LYS A 14 3.102 7.482 -4.755 1.00 0.00 N ATOM 172 CA LYS A 14 3.767 6.236 -5.120 1.00 0.00 C ATOM 173 C LYS A 14 3.362 5.108 -4.177 1.00 0.00 C ATOM 174 O LYS A 14 3.190 3.964 -4.598 1.00 0.00 O ATOM 175 CB LYS A 14 5.287 6.418 -5.092 1.00 0.00 C ATOM 176 CG LYS A 14 5.820 6.878 -3.746 1.00 0.00 C ATOM 177 CD LYS A 14 7.107 7.671 -3.899 1.00 0.00 C ATOM 178 CE LYS A 14 8.249 6.791 -4.385 1.00 0.00 C ATOM 179 NZ LYS A 14 8.637 5.774 -3.370 1.00 0.00 N ATOM 0 H LYS A 14 3.720 8.188 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 14 3.458 5.970 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.762 5.474 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.572 7.144 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.070 7.492 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.998 6.012 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.951 8.488 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.374 8.121 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.954 6.290 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.111 7.414 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.321 5.111 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.069 6.248 -2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.792 5.252 -3.061 1.00 0.00 H new ATOM 193 N VAL A 15 3.209 5.438 -2.898 1.00 0.00 N ATOM 194 CA VAL A 15 2.821 4.452 -1.896 1.00 0.00 C ATOM 195 C VAL A 15 1.489 3.801 -2.251 1.00 0.00 C ATOM 196 O VAL A 15 1.094 2.801 -1.651 1.00 0.00 O ATOM 197 CB VAL A 15 2.712 5.088 -0.497 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.166 4.082 0.506 1.00 0.00 C ATOM 199 CG2 VAL A 15 4.064 5.621 -0.047 1.00 0.00 C ATOM 0 H VAL A 15 3.348 6.380 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 15 3.601 3.691 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 15 2.017 5.926 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.096 4.549 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.176 3.753 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.834 3.222 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.968 6.067 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.783 4.803 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.411 6.376 -0.753 1.00 0.00 H new ATOM 209 N LEU A 16 0.800 4.375 -3.231 1.00 0.00 N ATOM 210 CA LEU A 16 -0.489 3.850 -3.669 1.00 0.00 C ATOM 211 C LEU A 16 -0.417 3.364 -5.113 1.00 0.00 C ATOM 212 O LEU A 16 -0.834 2.249 -5.426 1.00 0.00 O ATOM 213 CB LEU A 16 -1.571 4.923 -3.533 1.00 0.00 C ATOM 214 CG LEU A 16 -1.692 5.584 -2.160 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.628 6.780 -2.224 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.177 4.579 -1.125 1.00 0.00 C ATOM 0 H LEU A 16 1.112 5.204 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.744 3.003 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.379 5.700 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.532 4.475 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.705 5.937 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.702 7.238 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.238 7.509 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.616 6.452 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.257 5.067 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.154 4.195 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.468 3.754 -1.059 1.00 0.00 H new ATOM 228 N LYS A 17 0.116 4.208 -5.990 1.00 0.00 N ATOM 229 CA LYS A 17 0.246 3.865 -7.401 1.00 0.00 C ATOM 230 C LYS A 17 0.608 2.392 -7.571 1.00 0.00 C ATOM 231 O LYS A 17 -0.048 1.665 -8.317 1.00 0.00 O ATOM 232 CB LYS A 17 1.311 4.742 -8.064 1.00 0.00 C ATOM 233 CG LYS A 17 1.558 4.400 -9.524 1.00 0.00 C ATOM 234 CD LYS A 17 1.994 5.621 -10.316 1.00 0.00 C ATOM 235 CE LYS A 17 2.137 5.304 -11.796 1.00 0.00 C ATOM 236 NZ LYS A 17 2.143 6.536 -12.630 1.00 0.00 N ATOM 0 H LYS A 17 0.465 5.135 -5.748 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.715 4.044 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.007 5.786 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.246 4.643 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.324 3.628 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.649 3.987 -9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.266 6.421 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.944 5.987 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.061 4.750 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.317 4.658 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.242 6.276 -13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.251 7.052 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.940 7.142 -12.349 1.00 0.00 H new ATOM 250 N ARG A 18 1.653 1.959 -6.875 1.00 0.00 N ATOM 251 CA ARG A 18 2.100 0.573 -6.949 1.00 0.00 C ATOM 252 C ARG A 18 1.106 -0.357 -6.260 1.00 0.00 C ATOM 253 O ARG A 18 0.798 -1.436 -6.764 1.00 0.00 O ATOM 254 CB ARG A 18 3.481 0.425 -6.309 1.00 0.00 C ATOM 255 CG ARG A 18 4.013 -0.999 -6.329 1.00 0.00 C ATOM 256 CD ARG A 18 4.438 -1.415 -7.729 1.00 0.00 C ATOM 257 NE ARG A 18 5.078 -2.727 -7.738 1.00 0.00 N ATOM 258 CZ ARG A 18 5.683 -3.242 -8.802 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.729 -2.558 -9.938 1.00 0.00 N ATOM 260 NH2 ARG A 18 6.243 -4.443 -8.733 1.00 0.00 N ATOM 0 H ARG A 18 2.207 2.548 -6.253 1.00 0.00 H new ATOM 0 HA ARG A 18 2.163 0.294 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.185 1.074 -6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.432 0.771 -5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.862 -1.081 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.245 -1.681 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.566 -1.432 -8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.126 -0.673 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 18 5.059 -3.278 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.299 -1.635 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.194 -2.955 -10.754 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.209 -4.972 -7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.707 -4.837 -9.551 1.00 0.00 H new ATOM 274 N MET A 19 0.608 0.071 -5.103 1.00 0.00 N ATOM 275 CA MET A 19 -0.352 -0.724 -4.346 1.00 0.00 C ATOM 276 C MET A 19 -1.516 -1.158 -5.229 1.00 0.00 C ATOM 277 O MET A 19 -2.030 -2.269 -5.093 1.00 0.00 O ATOM 278 CB MET A 19 -0.875 0.074 -3.150 1.00 0.00 C ATOM 279 CG MET A 19 -2.040 -0.591 -2.438 1.00 0.00 C ATOM 280 SD MET A 19 -3.617 -0.302 -3.264 1.00 0.00 S ATOM 281 CE MET A 19 -3.930 1.402 -2.808 1.00 0.00 C ATOM 0 H MET A 19 0.853 0.962 -4.671 1.00 0.00 H new ATOM 0 HA MET A 19 0.159 -1.617 -3.984 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.062 0.222 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.184 1.062 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.858 -1.664 -2.376 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.096 -0.218 -1.415 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.002 1.596 -2.840 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.558 1.583 -1.799 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.420 2.065 -3.507 1.00 0.00 H new ATOM 291 N ARG A 20 -1.928 -0.277 -6.134 1.00 0.00 N ATOM 292 CA ARG A 20 -3.034 -0.569 -7.039 1.00 0.00 C ATOM 293 C ARG A 20 -2.656 -1.678 -8.016 1.00 0.00 C ATOM 294 O ARG A 20 -3.380 -2.663 -8.162 1.00 0.00 O ATOM 295 CB ARG A 20 -3.436 0.689 -7.809 1.00 0.00 C ATOM 296 CG ARG A 20 -4.495 1.523 -7.105 1.00 0.00 C ATOM 297 CD ARG A 20 -5.191 2.470 -8.069 1.00 0.00 C ATOM 298 NE ARG A 20 -5.932 1.752 -9.103 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.670 2.353 -10.029 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.764 3.675 -10.052 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.314 1.630 -10.938 1.00 0.00 N ATOM 0 H ARG A 20 -1.512 0.646 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.881 -0.907 -6.442 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.551 1.304 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.808 0.400 -8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.232 0.864 -6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.033 2.096 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.874 3.114 -7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.451 3.119 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.880 0.733 -9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.269 4.234 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.332 4.134 -10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.242 0.613 -10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.881 2.092 -11.649 1.00 0.00 H new ATOM 315 N GLU A 21 -1.519 -1.510 -8.684 1.00 0.00 N ATOM 316 CA GLU A 21 -1.048 -2.497 -9.648 1.00 0.00 C ATOM 317 C GLU A 21 -0.914 -3.872 -9.000 1.00 0.00 C ATOM 318 O GLU A 21 -1.462 -4.859 -9.493 1.00 0.00 O ATOM 319 CB GLU A 21 0.297 -2.066 -10.237 1.00 0.00 C ATOM 320 CG GLU A 21 0.169 -1.141 -11.436 1.00 0.00 C ATOM 321 CD GLU A 21 0.060 -1.897 -12.745 1.00 0.00 C ATOM 322 OE1 GLU A 21 0.943 -2.735 -13.024 1.00 0.00 O ATOM 323 OE2 GLU A 21 -0.910 -1.651 -13.494 1.00 0.00 O ATOM 0 H GLU A 21 -0.908 -0.701 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.784 -2.563 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.879 -1.565 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.856 -2.954 -10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.711 -0.509 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.034 -0.479 -11.474 1.00 0.00 H new ATOM 330 N ILE A 22 -0.183 -3.928 -7.891 1.00 0.00 N ATOM 331 CA ILE A 22 0.022 -5.180 -7.175 1.00 0.00 C ATOM 332 C ILE A 22 -1.290 -5.938 -7.005 1.00 0.00 C ATOM 333 O ILE A 22 -1.329 -7.165 -7.104 1.00 0.00 O ATOM 334 CB ILE A 22 0.645 -4.939 -5.787 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.015 -4.272 -5.927 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.764 -6.251 -5.025 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.486 -3.589 -4.663 1.00 0.00 C ATOM 0 H ILE A 22 0.277 -3.121 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 22 0.709 -5.777 -7.775 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.007 -4.272 -5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.748 -5.024 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.973 -3.539 -6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.206 -6.064 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.226 -6.689 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.397 -6.940 -5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.463 -3.138 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.774 -2.814 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.561 -4.322 -3.860 1.00 0.00 H new ATOM 349 N LYS A 23 -2.365 -5.199 -6.752 1.00 0.00 N ATOM 350 CA LYS A 23 -3.682 -5.800 -6.573 1.00 0.00 C ATOM 351 C LYS A 23 -4.131 -6.518 -7.841 1.00 0.00 C ATOM 352 O LYS A 23 -4.363 -7.726 -7.833 1.00 0.00 O ATOM 353 CB LYS A 23 -4.706 -4.729 -6.191 1.00 0.00 C ATOM 354 CG LYS A 23 -5.986 -5.294 -5.600 1.00 0.00 C ATOM 355 CD LYS A 23 -6.755 -4.238 -4.823 1.00 0.00 C ATOM 356 CE LYS A 23 -8.250 -4.521 -4.827 1.00 0.00 C ATOM 357 NZ LYS A 23 -9.031 -3.380 -4.274 1.00 0.00 N ATOM 0 H LYS A 23 -2.350 -4.183 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.613 -6.532 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.254 -4.046 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.952 -4.142 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.614 -5.688 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.746 -6.129 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.393 -4.205 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.568 -3.256 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.578 -4.726 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.452 -5.417 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.045 -3.611 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.736 -3.200 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.859 -2.530 -4.849 1.00 0.00 H new ATOM 371 N ASN A 24 -4.249 -5.767 -8.931 1.00 0.00 N ATOM 372 CA ASN A 24 -4.668 -6.332 -10.208 1.00 0.00 C ATOM 373 C ASN A 24 -3.862 -7.584 -10.540 1.00 0.00 C ATOM 374 O ASN A 24 -4.410 -8.583 -11.001 1.00 0.00 O ATOM 375 CB ASN A 24 -4.510 -5.298 -11.324 1.00 0.00 C ATOM 376 CG ASN A 24 -4.945 -5.834 -12.676 1.00 0.00 C ATOM 377 OD1 ASN A 24 -4.131 -5.992 -13.585 1.00 0.00 O ATOM 378 ND2 ASN A 24 -6.236 -6.115 -12.811 1.00 0.00 N ATOM 0 H ASN A 24 -4.060 -4.765 -8.955 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.719 -6.610 -10.126 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.098 -4.413 -11.081 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.468 -4.983 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.589 -6.478 -13.696 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.874 -5.968 -12.029 1.00 0.00 H new ATOM 385 N GLU A 25 -2.555 -7.519 -10.302 1.00 0.00 N ATOM 386 CA GLU A 25 -1.673 -8.646 -10.577 1.00 0.00 C ATOM 387 C GLU A 25 -2.086 -9.871 -9.765 1.00 0.00 C ATOM 388 O GLU A 25 -1.987 -11.004 -10.236 1.00 0.00 O ATOM 389 CB GLU A 25 -0.222 -8.276 -10.260 1.00 0.00 C ATOM 390 CG GLU A 25 0.794 -9.237 -10.853 1.00 0.00 C ATOM 391 CD GLU A 25 2.221 -8.746 -10.698 1.00 0.00 C ATOM 392 OE1 GLU A 25 2.753 -8.819 -9.571 1.00 0.00 O ATOM 393 OE2 GLU A 25 2.805 -8.289 -11.702 1.00 0.00 O ATOM 0 H GLU A 25 -2.085 -6.698 -9.920 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.755 -8.889 -11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.022 -7.272 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.092 -8.245 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.694 -10.209 -10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.577 -9.382 -11.911 1.00 0.00 H new ATOM 400 N LEU A 26 -2.548 -9.634 -8.542 1.00 0.00 N ATOM 401 CA LEU A 26 -2.976 -10.716 -7.664 1.00 0.00 C ATOM 402 C LEU A 26 -4.337 -11.258 -8.090 1.00 0.00 C ATOM 403 O LEU A 26 -4.546 -12.471 -8.138 1.00 0.00 O ATOM 404 CB LEU A 26 -3.039 -10.229 -6.215 1.00 0.00 C ATOM 405 CG LEU A 26 -3.896 -11.064 -5.262 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.362 -12.485 -5.173 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.942 -10.421 -3.883 1.00 0.00 C ATOM 0 H LEU A 26 -2.636 -8.702 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.245 -11.522 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.023 -10.192 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.419 -9.207 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.912 -11.103 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.983 -13.065 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.382 -12.944 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.337 -12.466 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.556 -11.029 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.932 -10.351 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.371 -9.422 -3.961 1.00 0.00 H new ATOM 419 N LEU A 27 -5.257 -10.352 -8.400 1.00 0.00 N ATOM 420 CA LEU A 27 -6.599 -10.739 -8.825 1.00 0.00 C ATOM 421 C LEU A 27 -6.547 -11.564 -10.107 1.00 0.00 C ATOM 422 O LEU A 27 -7.246 -12.569 -10.238 1.00 0.00 O ATOM 423 CB LEU A 27 -7.465 -9.497 -9.040 1.00 0.00 C ATOM 424 CG LEU A 27 -8.050 -8.861 -7.778 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.843 -7.611 -8.129 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.926 -9.859 -7.035 1.00 0.00 C ATOM 0 H LEU A 27 -5.099 -9.345 -8.365 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.040 -11.351 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.867 -8.747 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.288 -9.762 -9.704 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.227 -8.573 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.252 -7.172 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.188 -6.890 -8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.658 -7.875 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.334 -9.389 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.743 -10.178 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.329 -10.726 -6.750 1.00 0.00 H new ATOM 438 N GLN A 28 -5.712 -11.134 -11.048 1.00 0.00 N ATOM 439 CA GLN A 28 -5.567 -11.836 -12.318 1.00 0.00 C ATOM 440 C GLN A 28 -4.787 -13.133 -12.139 1.00 0.00 C ATOM 441 O GLN A 28 -5.195 -14.186 -12.625 1.00 0.00 O ATOM 442 CB GLN A 28 -4.867 -10.941 -13.341 1.00 0.00 C ATOM 443 CG GLN A 28 -5.807 -9.993 -14.068 1.00 0.00 C ATOM 444 CD GLN A 28 -5.163 -9.344 -15.278 1.00 0.00 C ATOM 445 OE1 GLN A 28 -3.940 -9.329 -15.410 1.00 0.00 O ATOM 446 NE2 GLN A 28 -5.987 -8.805 -16.168 1.00 0.00 N ATOM 0 H GLN A 28 -5.126 -10.304 -10.955 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.564 -12.083 -12.684 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.098 -10.358 -12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.360 -11.569 -14.074 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.695 -10.540 -14.384 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.139 -9.217 -13.378 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.995 -8.841 -16.017 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.612 -8.355 -17.003 1.00 0.00 H new ATOM 455 N ALA A 29 -3.660 -13.047 -11.438 1.00 0.00 N ATOM 456 CA ALA A 29 -2.823 -14.215 -11.193 1.00 0.00 C ATOM 457 C ALA A 29 -3.672 -15.457 -10.943 1.00 0.00 C ATOM 458 O ALA A 29 -4.582 -15.440 -10.115 1.00 0.00 O ATOM 459 CB ALA A 29 -1.896 -13.961 -10.014 1.00 0.00 C ATOM 0 H ALA A 29 -3.307 -12.181 -11.030 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.220 -14.393 -12.084 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.277 -14.841 -9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.257 -13.105 -10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.489 -13.755 -9.123 1.00 0.00 H new ATOM 465 N GLN A 30 -3.368 -16.530 -11.665 1.00 0.00 N ATOM 466 CA GLN A 30 -4.104 -17.781 -11.522 1.00 0.00 C ATOM 467 C GLN A 30 -3.767 -18.463 -10.201 1.00 0.00 C ATOM 468 O GLN A 30 -4.650 -18.740 -9.390 1.00 0.00 O ATOM 469 CB GLN A 30 -3.792 -18.719 -12.689 1.00 0.00 C ATOM 470 CG GLN A 30 -4.598 -18.420 -13.942 1.00 0.00 C ATOM 471 CD GLN A 30 -3.992 -17.309 -14.776 1.00 0.00 C ATOM 472 OE1 GLN A 30 -2.782 -17.078 -14.740 1.00 0.00 O ATOM 473 NE2 GLN A 30 -4.830 -16.612 -15.534 1.00 0.00 N ATOM 0 H GLN A 30 -2.617 -16.559 -12.355 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.169 -17.549 -11.528 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.730 -18.651 -12.925 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.984 -19.746 -12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.671 -19.324 -14.546 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.613 -18.143 -13.658 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.825 -16.837 -15.534 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.479 -15.852 -16.116 1.00 0.00 H new ATOM 482 N ASN A 31 -2.482 -18.733 -9.991 1.00 0.00 N ATOM 483 CA ASN A 31 -2.029 -19.384 -8.768 1.00 0.00 C ATOM 484 C ASN A 31 -1.226 -18.418 -7.902 1.00 0.00 C ATOM 485 O ASN A 31 0.000 -18.492 -7.817 1.00 0.00 O ATOM 486 CB ASN A 31 -1.177 -20.610 -9.105 1.00 0.00 C ATOM 487 CG ASN A 31 -0.885 -21.464 -7.886 1.00 0.00 C ATOM 488 OD1 ASN A 31 -1.377 -21.191 -6.790 1.00 0.00 O ATOM 489 ND2 ASN A 31 -0.080 -22.504 -8.071 1.00 0.00 N ATOM 0 H ASN A 31 -1.737 -18.511 -10.652 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.909 -19.701 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.692 -21.213 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.237 -20.284 -9.551 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.153 -23.114 -7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.305 -22.693 -8.997 1.00 0.00 H new ATOM 496 N PRO A 32 -1.934 -17.488 -7.243 1.00 0.00 N ATOM 497 CA PRO A 32 -1.310 -16.489 -6.371 1.00 0.00 C ATOM 498 C PRO A 32 -0.745 -17.105 -5.095 1.00 0.00 C ATOM 499 O PRO A 32 -0.201 -16.403 -4.244 1.00 0.00 O ATOM 500 CB PRO A 32 -2.462 -15.537 -6.040 1.00 0.00 C ATOM 501 CG PRO A 32 -3.692 -16.363 -6.194 1.00 0.00 C ATOM 502 CD PRO A 32 -3.398 -17.341 -7.298 1.00 0.00 C ATOM 0 HA PRO A 32 -0.461 -16.002 -6.852 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.373 -15.145 -5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.474 -14.680 -6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.932 -16.882 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.552 -15.741 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.904 -18.293 -7.137 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.728 -16.965 -8.266 1.00 0.00 H new ATOM 510 N SER A 33 -0.878 -18.422 -4.970 1.00 0.00 N ATOM 511 CA SER A 33 -0.383 -19.131 -3.796 1.00 0.00 C ATOM 512 C SER A 33 0.909 -18.503 -3.285 1.00 0.00 C ATOM 513 O SER A 33 1.049 -18.228 -2.094 1.00 0.00 O ATOM 514 CB SER A 33 -0.150 -20.607 -4.127 1.00 0.00 C ATOM 515 OG SER A 33 0.794 -20.751 -5.174 1.00 0.00 O ATOM 0 H SER A 33 -1.324 -19.019 -5.667 1.00 0.00 H new ATOM 0 HA SER A 33 -1.137 -19.055 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.204 -21.131 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.093 -21.071 -4.416 1.00 0.00 H new ATOM 0 HG SER A 33 0.927 -21.703 -5.366 1.00 0.00 H new ATOM 521 N GLU A 34 1.851 -18.278 -4.196 1.00 0.00 N ATOM 522 CA GLU A 34 3.132 -17.682 -3.837 1.00 0.00 C ATOM 523 C GLU A 34 3.014 -16.166 -3.721 1.00 0.00 C ATOM 524 O GLU A 34 3.570 -15.557 -2.806 1.00 0.00 O ATOM 525 CB GLU A 34 4.196 -18.043 -4.876 1.00 0.00 C ATOM 526 CG GLU A 34 3.871 -17.551 -6.277 1.00 0.00 C ATOM 527 CD GLU A 34 4.572 -18.354 -7.354 1.00 0.00 C ATOM 528 OE1 GLU A 34 4.472 -19.599 -7.328 1.00 0.00 O ATOM 529 OE2 GLU A 34 5.220 -17.738 -8.226 1.00 0.00 O ATOM 0 H GLU A 34 1.751 -18.499 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 34 3.430 -18.081 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.152 -17.623 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.316 -19.126 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.794 -17.601 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.158 -16.503 -6.366 1.00 0.00 H new ATOM 536 N LEU A 35 2.286 -15.562 -4.653 1.00 0.00 N ATOM 537 CA LEU A 35 2.094 -14.115 -4.656 1.00 0.00 C ATOM 538 C LEU A 35 1.720 -13.612 -3.266 1.00 0.00 C ATOM 539 O LEU A 35 2.255 -12.611 -2.791 1.00 0.00 O ATOM 540 CB LEU A 35 1.008 -13.728 -5.661 1.00 0.00 C ATOM 541 CG LEU A 35 1.479 -13.465 -7.092 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.290 -13.358 -8.033 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.325 -12.202 -7.152 1.00 0.00 C ATOM 0 H LEU A 35 1.819 -16.051 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 35 3.035 -13.649 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.264 -14.524 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.505 -12.833 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 35 2.095 -14.305 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.644 -13.171 -9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.275 -14.290 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.352 -12.537 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.651 -12.031 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.734 -11.352 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.197 -12.317 -6.508 1.00 0.00 H new ATOM 555 N TYR A 36 0.799 -14.316 -2.616 1.00 0.00 N ATOM 556 CA TYR A 36 0.353 -13.941 -1.280 1.00 0.00 C ATOM 557 C TYR A 36 1.515 -13.408 -0.447 1.00 0.00 C ATOM 558 O TYR A 36 1.410 -12.357 0.186 1.00 0.00 O ATOM 559 CB TYR A 36 -0.284 -15.141 -0.577 1.00 0.00 C ATOM 560 CG TYR A 36 -1.652 -15.500 -1.113 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.764 -14.726 -0.807 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.832 -16.612 -1.925 1.00 0.00 C ATOM 563 CE1 TYR A 36 -4.016 -15.051 -1.293 1.00 0.00 C ATOM 564 CE2 TYR A 36 -3.079 -16.944 -2.418 1.00 0.00 C ATOM 565 CZ TYR A 36 -4.168 -16.161 -2.098 1.00 0.00 C ATOM 566 OH TYR A 36 -5.413 -16.486 -2.586 1.00 0.00 O ATOM 0 H TYR A 36 0.347 -15.149 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.390 -13.150 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.375 -16.003 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.365 -14.926 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.648 -13.855 -0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.981 -17.229 -2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.871 -14.440 -1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.200 -17.811 -3.050 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.348 -17.294 -3.137 1.00 0.00 H new ATOM 576 N LEU A 37 2.623 -14.141 -0.452 1.00 0.00 N ATOM 577 CA LEU A 37 3.807 -13.743 0.301 1.00 0.00 C ATOM 578 C LEU A 37 4.409 -12.462 -0.266 1.00 0.00 C ATOM 579 O LEU A 37 4.435 -11.428 0.402 1.00 0.00 O ATOM 580 CB LEU A 37 4.850 -14.863 0.279 1.00 0.00 C ATOM 581 CG LEU A 37 4.622 -16.011 1.263 1.00 0.00 C ATOM 582 CD1 LEU A 37 3.411 -16.834 0.853 1.00 0.00 C ATOM 583 CD2 LEU A 37 5.862 -16.890 1.351 1.00 0.00 C ATOM 0 H LEU A 37 2.726 -15.014 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 37 3.505 -13.555 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.888 -15.277 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.828 -14.426 0.482 1.00 0.00 H new ATOM 0 HG LEU A 37 4.429 -15.587 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.265 -17.646 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.526 -16.198 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.573 -17.249 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.683 -17.702 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.084 -17.305 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.708 -16.293 1.693 1.00 0.00 H new ATOM 595 N SER A 38 4.889 -12.537 -1.502 1.00 0.00 N ATOM 596 CA SER A 38 5.492 -11.383 -2.160 1.00 0.00 C ATOM 597 C SER A 38 4.591 -10.158 -2.042 1.00 0.00 C ATOM 598 O SER A 38 4.947 -9.170 -1.399 1.00 0.00 O ATOM 599 CB SER A 38 5.762 -11.691 -3.634 1.00 0.00 C ATOM 600 OG SER A 38 6.783 -10.856 -4.151 1.00 0.00 O ATOM 0 H SER A 38 4.873 -13.385 -2.069 1.00 0.00 H new ATOM 0 HA SER A 38 6.438 -11.167 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.053 -12.736 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.848 -11.552 -4.211 1.00 0.00 H new ATOM 0 HG SER A 38 6.938 -11.074 -5.094 1.00 0.00 H new ATOM 606 N SER A 39 3.420 -10.231 -2.667 1.00 0.00 N ATOM 607 CA SER A 39 2.467 -9.127 -2.636 1.00 0.00 C ATOM 608 C SER A 39 2.437 -8.473 -1.258 1.00 0.00 C ATOM 609 O SER A 39 2.692 -7.277 -1.119 1.00 0.00 O ATOM 610 CB SER A 39 1.069 -9.622 -3.009 1.00 0.00 C ATOM 611 OG SER A 39 1.034 -10.096 -4.344 1.00 0.00 O ATOM 0 H SER A 39 3.108 -11.042 -3.201 1.00 0.00 H new ATOM 0 HA SER A 39 2.787 -8.383 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.769 -10.419 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.349 -8.812 -2.888 1.00 0.00 H new ATOM 0 HG SER A 39 0.130 -10.408 -4.557 1.00 0.00 H new ATOM 617 N LYS A 40 2.124 -9.268 -0.240 1.00 0.00 N ATOM 618 CA LYS A 40 2.061 -8.770 1.128 1.00 0.00 C ATOM 619 C LYS A 40 3.358 -8.064 1.511 1.00 0.00 C ATOM 620 O LYS A 40 3.347 -6.908 1.934 1.00 0.00 O ATOM 621 CB LYS A 40 1.788 -9.921 2.100 1.00 0.00 C ATOM 622 CG LYS A 40 1.116 -9.482 3.390 1.00 0.00 C ATOM 623 CD LYS A 40 0.862 -10.661 4.315 1.00 0.00 C ATOM 624 CE LYS A 40 2.047 -10.913 5.235 1.00 0.00 C ATOM 625 NZ LYS A 40 2.210 -9.826 6.240 1.00 0.00 N ATOM 0 H LYS A 40 1.910 -10.261 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 40 1.245 -8.050 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.158 -10.661 1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.730 -10.414 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.743 -8.749 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.172 -8.989 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.030 -10.471 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.664 -11.554 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.912 -11.865 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.957 -10.997 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.767 -10.178 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.703 -9.021 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.274 -9.519 6.574 1.00 0.00 H new ATOM 639 N THR A 41 4.476 -8.767 1.359 1.00 0.00 N ATOM 640 CA THR A 41 5.782 -8.208 1.687 1.00 0.00 C ATOM 641 C THR A 41 5.969 -6.837 1.048 1.00 0.00 C ATOM 642 O THR A 41 6.010 -5.820 1.740 1.00 0.00 O ATOM 643 CB THR A 41 6.922 -9.136 1.229 1.00 0.00 C ATOM 644 OG1 THR A 41 6.707 -10.460 1.731 1.00 0.00 O ATOM 645 CG2 THR A 41 8.268 -8.618 1.711 1.00 0.00 C ATOM 0 H THR A 41 4.503 -9.725 1.011 1.00 0.00 H new ATOM 0 HA THR A 41 5.820 -8.108 2.772 1.00 0.00 H new ATOM 0 HB THR A 41 6.928 -9.157 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.022 -10.907 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.058 -9.290 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.442 -7.622 1.304 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.271 -8.570 2.800 1.00 0.00 H new ATOM 653 N GLU A 42 6.083 -6.817 -0.276 1.00 0.00 N ATOM 654 CA GLU A 42 6.267 -5.570 -1.009 1.00 0.00 C ATOM 655 C GLU A 42 5.399 -4.461 -0.419 1.00 0.00 C ATOM 656 O GLU A 42 5.904 -3.417 -0.003 1.00 0.00 O ATOM 657 CB GLU A 42 5.928 -5.766 -2.487 1.00 0.00 C ATOM 658 CG GLU A 42 6.092 -4.507 -3.322 1.00 0.00 C ATOM 659 CD GLU A 42 7.523 -4.007 -3.349 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.445 -4.845 -3.262 1.00 0.00 O ATOM 661 OE2 GLU A 42 7.722 -2.779 -3.458 1.00 0.00 O ATOM 0 H GLU A 42 6.051 -7.650 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 42 7.313 -5.277 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.566 -6.549 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.899 -6.116 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.761 -4.706 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.445 -3.725 -2.924 1.00 0.00 H new ATOM 668 N LEU A 43 4.092 -4.694 -0.389 1.00 0.00 N ATOM 669 CA LEU A 43 3.153 -3.715 0.148 1.00 0.00 C ATOM 670 C LEU A 43 3.739 -3.010 1.367 1.00 0.00 C ATOM 671 O LEU A 43 3.702 -1.783 1.462 1.00 0.00 O ATOM 672 CB LEU A 43 1.835 -4.397 0.524 1.00 0.00 C ATOM 673 CG LEU A 43 0.820 -4.565 -0.608 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.241 -5.583 -0.225 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.180 -3.228 -0.954 1.00 0.00 C ATOM 0 H LEU A 43 3.658 -5.552 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 43 2.963 -2.969 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.062 -5.382 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.367 -3.822 1.323 1.00 0.00 H new ATOM 0 HG LEU A 43 1.345 -4.932 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.955 -5.690 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.232 -6.545 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.763 -5.245 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.539 -3.367 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.331 -2.831 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.951 -2.527 -1.272 1.00 0.00 H new ATOM 687 N GLN A 44 4.280 -3.793 2.294 1.00 0.00 N ATOM 688 CA GLN A 44 4.875 -3.242 3.506 1.00 0.00 C ATOM 689 C GLN A 44 5.898 -2.162 3.167 1.00 0.00 C ATOM 690 O GLN A 44 5.830 -1.047 3.683 1.00 0.00 O ATOM 691 CB GLN A 44 5.541 -4.352 4.323 1.00 0.00 C ATOM 692 CG GLN A 44 4.565 -5.404 4.824 1.00 0.00 C ATOM 693 CD GLN A 44 5.084 -6.147 6.041 1.00 0.00 C ATOM 694 OE1 GLN A 44 6.221 -5.945 6.469 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.251 -7.014 6.604 1.00 0.00 N ATOM 0 H GLN A 44 4.319 -4.810 2.229 1.00 0.00 H new ATOM 0 HA GLN A 44 4.079 -2.791 4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.302 -4.836 3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.053 -3.907 5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.617 -4.927 5.071 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.364 -6.118 4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.317 -7.150 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.545 -7.544 7.424 1.00 0.00 H new ATOM 704 N GLY A 45 6.844 -2.501 2.298 1.00 0.00 N ATOM 705 CA GLY A 45 7.867 -1.549 1.906 1.00 0.00 C ATOM 706 C GLY A 45 7.307 -0.160 1.671 1.00 0.00 C ATOM 707 O GLY A 45 7.691 0.795 2.347 1.00 0.00 O ATOM 0 H GLY A 45 6.921 -3.418 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.632 -1.503 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.355 -1.899 0.997 1.00 0.00 H new ATOM 711 N LEU A 46 6.398 -0.046 0.709 1.00 0.00 N ATOM 712 CA LEU A 46 5.785 1.238 0.384 1.00 0.00 C ATOM 713 C LEU A 46 5.406 1.996 1.652 1.00 0.00 C ATOM 714 O LEU A 46 5.879 3.108 1.887 1.00 0.00 O ATOM 715 CB LEU A 46 4.546 1.026 -0.488 1.00 0.00 C ATOM 716 CG LEU A 46 4.759 0.235 -1.778 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.425 -0.105 -2.423 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.638 1.015 -2.744 1.00 0.00 C ATOM 0 H LEU A 46 6.069 -0.826 0.140 1.00 0.00 H new ATOM 0 HA LEU A 46 6.513 1.833 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.791 0.514 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.138 2.003 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 46 5.266 -0.697 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.597 -0.668 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.831 -0.706 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.889 0.815 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.779 0.436 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.159 1.964 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.607 1.205 -2.282 1.00 0.00 H new ATOM 730 N ILE A 47 4.553 1.385 2.467 1.00 0.00 N ATOM 731 CA ILE A 47 4.113 2.002 3.713 1.00 0.00 C ATOM 732 C ILE A 47 5.270 2.702 4.419 1.00 0.00 C ATOM 733 O ILE A 47 5.074 3.683 5.134 1.00 0.00 O ATOM 734 CB ILE A 47 3.496 0.964 4.669 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.258 0.328 4.034 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.142 1.612 5.998 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.756 -0.891 4.777 1.00 0.00 C ATOM 0 H ILE A 47 4.153 0.464 2.288 1.00 0.00 H new ATOM 0 HA ILE A 47 3.353 2.737 3.449 1.00 0.00 H new ATOM 0 HB ILE A 47 4.231 0.180 4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.461 1.070 3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.490 0.047 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.707 0.865 6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.043 2.023 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.422 2.413 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.877 -1.289 4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.537 -1.651 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.492 -0.612 5.797 1.00 0.00 H new ATOM 749 N GLY A 48 6.480 2.189 4.210 1.00 0.00 N ATOM 750 CA GLY A 48 7.652 2.778 4.832 1.00 0.00 C ATOM 751 C GLY A 48 7.894 4.203 4.378 1.00 0.00 C ATOM 752 O GLY A 48 8.207 5.074 5.189 1.00 0.00 O ATOM 0 H GLY A 48 6.669 1.377 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.532 2.760 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.527 2.172 4.598 1.00 0.00 H new ATOM 756 N GLN A 49 7.753 4.441 3.078 1.00 0.00 N ATOM 757 CA GLN A 49 7.961 5.771 2.517 1.00 0.00 C ATOM 758 C GLN A 49 7.025 6.786 3.163 1.00 0.00 C ATOM 759 O GLN A 49 7.246 7.995 3.075 1.00 0.00 O ATOM 760 CB GLN A 49 7.745 5.749 1.003 1.00 0.00 C ATOM 761 CG GLN A 49 8.700 4.825 0.266 1.00 0.00 C ATOM 762 CD GLN A 49 8.115 4.292 -1.027 1.00 0.00 C ATOM 763 OE1 GLN A 49 7.026 4.693 -1.441 1.00 0.00 O ATOM 764 NE2 GLN A 49 8.836 3.384 -1.675 1.00 0.00 N ATOM 0 H GLN A 49 7.496 3.730 2.393 1.00 0.00 H new ATOM 0 HA GLN A 49 8.989 6.069 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.721 5.440 0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.858 6.761 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.623 5.362 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.962 3.988 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.733 3.080 -1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.493 2.991 -2.551 1.00 0.00 H new ATOM 773 N LEU A 50 5.977 6.289 3.810 1.00 0.00 N ATOM 774 CA LEU A 50 5.004 7.153 4.470 1.00 0.00 C ATOM 775 C LEU A 50 5.457 7.500 5.886 1.00 0.00 C ATOM 776 O LEU A 50 4.634 7.687 6.783 1.00 0.00 O ATOM 777 CB LEU A 50 3.635 6.474 4.513 1.00 0.00 C ATOM 778 CG LEU A 50 2.744 6.681 3.288 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.357 6.108 3.534 1.00 0.00 C ATOM 780 CD2 LEU A 50 2.657 8.159 2.936 1.00 0.00 C ATOM 0 H LEU A 50 5.779 5.292 3.892 1.00 0.00 H new ATOM 0 HA LEU A 50 4.926 8.076 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.787 5.403 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.100 6.835 5.391 1.00 0.00 H new ATOM 0 HG LEU A 50 3.189 6.152 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.737 6.265 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.435 5.040 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.903 6.608 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.019 8.288 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.235 8.709 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.654 8.540 2.717 1.00 0.00 H new ATOM 792 N ASP A 51 6.769 7.587 6.077 1.00 0.00 N ATOM 793 CA ASP A 51 7.331 7.916 7.381 1.00 0.00 C ATOM 794 C ASP A 51 7.948 9.311 7.372 1.00 0.00 C ATOM 795 O ASP A 51 7.711 10.111 8.277 1.00 0.00 O ATOM 796 CB ASP A 51 8.384 6.882 7.782 1.00 0.00 C ATOM 797 CG ASP A 51 9.285 7.374 8.898 1.00 0.00 C ATOM 798 OD1 ASP A 51 8.767 7.654 9.999 1.00 0.00 O ATOM 799 OD2 ASP A 51 10.509 7.482 8.669 1.00 0.00 O ATOM 0 H ASP A 51 7.463 7.434 5.345 1.00 0.00 H new ATOM 0 HA ASP A 51 6.522 7.901 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.886 5.965 8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.992 6.631 6.913 1.00 0.00 H new ATOM 804 N GLU A 52 8.740 9.595 6.343 1.00 0.00 N ATOM 805 CA GLU A 52 9.392 10.894 6.217 1.00 0.00 C ATOM 806 C GLU A 52 8.361 12.008 6.069 1.00 0.00 C ATOM 807 O GLU A 52 8.372 12.984 6.820 1.00 0.00 O ATOM 808 CB GLU A 52 10.342 10.898 5.018 1.00 0.00 C ATOM 809 CG GLU A 52 11.593 10.062 5.228 1.00 0.00 C ATOM 810 CD GLU A 52 12.609 10.747 6.121 1.00 0.00 C ATOM 811 OE1 GLU A 52 13.421 11.539 5.597 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.593 10.492 7.343 1.00 0.00 O ATOM 0 H GLU A 52 8.946 8.944 5.585 1.00 0.00 H new ATOM 0 HA GLU A 52 9.966 11.074 7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.810 10.526 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.634 11.925 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.316 9.104 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.050 9.849 4.261 1.00 0.00 H new ATOM 819 N VAL A 53 7.471 11.856 5.092 1.00 0.00 N ATOM 820 CA VAL A 53 6.432 12.849 4.845 1.00 0.00 C ATOM 821 C VAL A 53 5.875 13.399 6.152 1.00 0.00 C ATOM 822 O VAL A 53 5.436 12.643 7.019 1.00 0.00 O ATOM 823 CB VAL A 53 5.278 12.258 4.014 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.104 13.223 3.968 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.753 11.915 2.610 1.00 0.00 C ATOM 0 H VAL A 53 7.449 11.056 4.460 1.00 0.00 H new ATOM 0 HA VAL A 53 6.896 13.660 4.283 1.00 0.00 H new ATOM 0 HB VAL A 53 4.942 11.338 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.298 12.788 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.749 13.412 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.422 14.161 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.924 11.499 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.117 12.817 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.559 11.183 2.667 1.00 0.00 H new ATOM 941 N ILE A 61 -2.577 16.591 2.380 1.00 0.00 N ATOM 942 CA ILE A 61 -1.461 15.826 2.923 1.00 0.00 C ATOM 943 C ILE A 61 -1.864 15.099 4.202 1.00 0.00 C ATOM 944 O ILE A 61 -1.502 13.940 4.409 1.00 0.00 O ATOM 945 CB ILE A 61 -0.250 16.731 3.221 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.341 17.272 1.917 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.803 15.964 4.008 1.00 0.00 C ATOM 948 CD1 ILE A 61 -0.314 18.550 1.442 1.00 0.00 C ATOM 0 HA ILE A 61 -1.181 15.095 2.165 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.584 17.575 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.407 17.450 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.244 16.513 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.652 16.616 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.375 15.621 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.137 15.104 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.155 18.876 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.376 18.373 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.194 19.324 2.200 1.00 0.00 H new ATOM 960 N ARG A 62 -2.614 15.787 5.056 1.00 0.00 N ATOM 961 CA ARG A 62 -3.067 15.206 6.315 1.00 0.00 C ATOM 962 C ARG A 62 -3.867 13.931 6.068 1.00 0.00 C ATOM 963 O ARG A 62 -3.633 12.906 6.709 1.00 0.00 O ATOM 964 CB ARG A 62 -3.918 16.214 7.090 1.00 0.00 C ATOM 965 CG ARG A 62 -4.696 15.597 8.239 1.00 0.00 C ATOM 966 CD ARG A 62 -5.698 16.581 8.826 1.00 0.00 C ATOM 967 NE ARG A 62 -6.799 16.853 7.905 1.00 0.00 N ATOM 968 CZ ARG A 62 -7.705 17.804 8.106 1.00 0.00 C ATOM 969 NH1 ARG A 62 -7.641 18.569 9.187 1.00 0.00 N ATOM 970 NH2 ARG A 62 -8.677 17.991 7.223 1.00 0.00 N ATOM 0 H ARG A 62 -2.921 16.747 4.900 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.187 14.953 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.270 16.999 7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.617 16.690 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.220 14.708 7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.004 15.274 9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.096 16.181 9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.190 17.514 9.070 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.876 16.283 7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.894 18.429 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.338 19.298 9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.729 17.405 6.390 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.373 18.721 7.377 1.00 0.00 H new ATOM 984 N GLU A 63 -4.813 14.003 5.137 1.00 0.00 N ATOM 985 CA GLU A 63 -5.649 12.855 4.807 1.00 0.00 C ATOM 986 C GLU A 63 -4.872 11.835 3.979 1.00 0.00 C ATOM 987 O GLU A 63 -4.640 10.710 4.419 1.00 0.00 O ATOM 988 CB GLU A 63 -6.895 13.306 4.043 1.00 0.00 C ATOM 989 CG GLU A 63 -8.085 12.376 4.216 1.00 0.00 C ATOM 990 CD GLU A 63 -9.275 12.787 3.372 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.177 12.711 2.129 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.305 13.188 3.954 1.00 0.00 O ATOM 0 H GLU A 63 -5.019 14.844 4.598 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.955 12.382 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.174 14.305 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.654 13.380 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.789 11.361 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.378 12.358 5.266 1.00 0.00 H new ATOM 999 N ALA A 64 -4.474 12.239 2.777 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.722 11.363 1.887 1.00 0.00 C ATOM 1001 C ALA A 64 -2.784 10.455 2.675 1.00 0.00 C ATOM 1002 O ALA A 64 -2.890 9.230 2.607 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.938 12.185 0.876 1.00 0.00 C ATOM 0 H ALA A 64 -4.660 13.167 2.397 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.432 10.732 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.381 11.518 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.627 12.787 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.243 12.840 1.401 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.868 11.062 3.421 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.910 10.307 4.220 1.00 0.00 C ATOM 1011 C ARG A 65 -1.587 9.123 4.904 1.00 0.00 C ATOM 1012 O ARG A 65 -1.251 7.968 4.643 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.262 11.214 5.269 1.00 0.00 C ATOM 1014 CG ARG A 65 0.862 10.544 6.042 1.00 0.00 C ATOM 1015 CD ARG A 65 1.608 11.540 6.915 1.00 0.00 C ATOM 1016 NE ARG A 65 0.988 11.687 8.229 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.236 10.880 9.254 1.00 0.00 C ATOM 1018 NH1 ARG A 65 2.088 9.872 9.117 1.00 0.00 N ATOM 1019 NH2 ARG A 65 0.633 11.079 10.419 1.00 0.00 N ATOM 0 H ARG A 65 -1.769 12.075 3.489 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.138 9.926 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.128 12.105 4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.026 11.547 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.453 9.748 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.557 10.078 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.641 11.214 7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.636 12.509 6.417 1.00 0.00 H new ATOM 0 HE ARG A 65 0.328 12.452 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.554 9.716 8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.277 9.253 9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.022 11.853 10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.825 10.458 11.205 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.540 9.419 5.781 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.262 8.379 6.504 1.00 0.00 C ATOM 1035 C ARG A 66 -3.997 7.455 5.538 1.00 0.00 C ATOM 1036 O ARG A 66 -3.696 6.265 5.452 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.257 9.006 7.484 1.00 0.00 C ATOM 1038 CG ARG A 66 -4.510 8.159 8.721 1.00 0.00 C ATOM 1039 CD ARG A 66 -5.041 8.998 9.871 1.00 0.00 C ATOM 1040 NE ARG A 66 -5.325 8.190 11.053 1.00 0.00 N ATOM 1041 CZ ARG A 66 -6.151 8.568 12.023 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -6.773 9.737 11.949 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -6.357 7.777 13.067 1.00 0.00 N ATOM 0 H ARG A 66 -2.830 10.370 6.008 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.535 7.789 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.884 9.982 7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.203 9.175 6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.225 7.371 8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.584 7.669 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.312 9.768 10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.950 9.511 9.556 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.864 7.284 11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.618 10.347 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.407 10.026 12.694 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.881 6.877 13.127 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.991 8.069 13.811 1.00 0.00 H new ATOM 1057 N ARG A 67 -4.962 8.012 4.814 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.742 7.237 3.854 1.00 0.00 C ATOM 1059 C ARG A 67 -4.880 6.164 3.195 1.00 0.00 C ATOM 1060 O ARG A 67 -5.277 5.002 3.108 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.336 8.158 2.786 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.214 7.434 1.780 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.337 8.218 0.482 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.147 7.515 -0.507 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.114 7.782 -1.808 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.315 8.731 -2.273 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -8.881 7.098 -2.648 1.00 0.00 N ATOM 0 H ARG A 67 -5.223 8.996 4.873 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.553 6.747 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.923 8.936 3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.525 8.656 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.796 6.449 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.205 7.277 2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.781 9.192 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.343 8.400 0.073 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.773 6.778 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.723 9.259 -1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.292 8.934 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.497 6.366 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.854 7.305 -3.647 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.700 6.562 2.731 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.783 5.635 2.081 1.00 0.00 C ATOM 1083 C ALA A 68 -2.431 4.473 3.003 1.00 0.00 C ATOM 1084 O ALA A 68 -2.535 3.308 2.619 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.521 6.363 1.640 1.00 0.00 C ATOM 0 H ALA A 68 -3.357 7.521 2.793 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.281 5.228 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.845 5.658 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.784 7.154 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.029 6.798 2.510 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.013 4.797 4.223 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.647 3.780 5.201 1.00 0.00 C ATOM 1093 C VAL A 69 -2.709 2.690 5.285 1.00 0.00 C ATOM 1094 O VAL A 69 -2.400 1.500 5.204 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.445 4.393 6.600 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.095 3.313 7.611 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.369 5.468 6.560 1.00 0.00 C ATOM 0 H VAL A 69 -1.920 5.756 4.557 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.707 3.342 4.865 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.380 4.859 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.956 3.765 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.903 2.583 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.174 2.815 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.239 5.890 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.571 5.029 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.667 6.256 5.868 1.00 0.00 H new ATOM 1107 N ILE A 70 -3.962 3.103 5.446 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.070 2.160 5.539 1.00 0.00 C ATOM 1109 C ILE A 70 -5.288 1.437 4.214 1.00 0.00 C ATOM 1110 O ILE A 70 -5.321 0.207 4.166 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.376 2.867 5.946 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.199 3.580 7.289 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.520 1.865 6.020 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -5.550 4.940 7.169 1.00 0.00 C ATOM 0 H ILE A 70 -4.235 4.083 5.515 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.804 1.434 6.307 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.619 3.613 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.174 3.692 7.763 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.595 2.955 7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.436 2.380 6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.658 1.398 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.286 1.099 6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.456 5.387 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.561 4.833 6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.164 5.582 6.538 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.435 2.208 3.142 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.650 1.639 1.816 1.00 0.00 C ATOM 1128 C GLU A 71 -4.707 0.466 1.569 1.00 0.00 C ATOM 1129 O GLU A 71 -5.144 -0.637 1.237 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.445 2.707 0.740 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.704 3.493 0.415 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.725 2.671 -0.348 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.311 1.842 -1.186 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -8.936 2.856 -0.108 1.00 0.00 O ATOM 0 H GLU A 71 -5.409 3.227 3.165 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.676 1.275 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.670 3.399 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.080 2.229 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.152 3.853 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.438 4.371 -0.173 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.411 0.711 1.732 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.406 -0.326 1.528 1.00 0.00 C ATOM 1143 C VAL A 72 -2.590 -1.473 2.515 1.00 0.00 C ATOM 1144 O VAL A 72 -2.886 -2.601 2.122 1.00 0.00 O ATOM 1145 CB VAL A 72 -0.980 0.239 1.675 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.053 -0.857 1.465 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.759 1.386 0.699 1.00 0.00 C ATOM 0 H VAL A 72 -3.032 1.618 2.005 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.539 -0.700 0.513 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.863 0.625 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.054 -0.439 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.094 -1.642 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.059 -1.276 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.253 1.773 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.894 1.027 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.477 2.180 0.902 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.413 -1.176 3.799 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.560 -2.183 4.843 1.00 0.00 C ATOM 1159 C GLN A 73 -3.716 -3.127 4.531 1.00 0.00 C ATOM 1160 O GLN A 73 -3.566 -4.348 4.576 1.00 0.00 O ATOM 1161 CB GLN A 73 -2.784 -1.513 6.200 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.495 -1.147 6.918 1.00 0.00 C ATOM 1163 CD GLN A 73 -0.777 -2.357 7.482 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -0.425 -3.282 6.750 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -0.554 -2.356 8.792 1.00 0.00 N ATOM 0 H GLN A 73 -2.168 -0.247 4.141 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.640 -2.766 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.379 -0.611 6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.366 -2.181 6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.833 -0.627 6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.719 -0.452 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.863 -1.568 9.361 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.074 -3.143 9.228 1.00 0.00 H new ATOM 1174 N THR A 74 -4.873 -2.552 4.213 1.00 0.00 N ATOM 1175 CA THR A 74 -6.056 -3.341 3.894 1.00 0.00 C ATOM 1176 C THR A 74 -5.686 -4.597 3.115 1.00 0.00 C ATOM 1177 O THR A 74 -6.138 -5.696 3.438 1.00 0.00 O ATOM 1178 CB THR A 74 -7.073 -2.523 3.076 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.383 -1.302 3.759 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.349 -3.319 2.846 1.00 0.00 C ATOM 0 H THR A 74 -5.015 -1.543 4.170 1.00 0.00 H new ATOM 0 HA THR A 74 -6.510 -3.627 4.843 1.00 0.00 H new ATOM 0 HB THR A 74 -6.627 -2.295 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.674 -0.646 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.052 -2.720 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.114 -4.233 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.796 -3.575 3.806 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.861 -4.428 2.087 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.429 -5.549 1.260 1.00 0.00 C ATOM 1190 C LEU A 75 -3.570 -6.519 2.065 1.00 0.00 C ATOM 1191 O LEU A 75 -3.812 -7.726 2.061 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.648 -5.042 0.047 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.482 -4.645 -1.171 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.612 -3.962 -2.215 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -5.174 -5.863 -1.765 1.00 0.00 C ATOM 0 H LEU A 75 -4.478 -3.525 1.807 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.317 -6.079 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.058 -4.179 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.944 -5.817 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.247 -3.939 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.223 -3.687 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.165 -3.065 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.824 -4.644 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.763 -5.561 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.425 -6.593 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.830 -6.309 -1.018 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.569 -5.983 2.752 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.675 -6.802 3.564 1.00 0.00 C ATOM 1209 C ILE A 76 -2.463 -7.700 4.512 1.00 0.00 C ATOM 1210 O ILE A 76 -2.146 -8.878 4.677 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.706 -5.931 4.385 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.166 -5.085 3.456 1.00 0.00 C ATOM 1213 CG2 ILE A 76 0.159 -6.805 5.281 1.00 0.00 C ATOM 1214 CD1 ILE A 76 1.023 -4.074 4.186 1.00 0.00 C ATOM 0 H ILE A 76 -2.355 -4.986 2.764 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.100 -7.421 2.876 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.289 -5.260 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.811 -5.745 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.475 -4.561 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.839 -6.176 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.477 -7.369 5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.736 -7.497 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.615 -3.510 3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.383 -3.390 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.689 -4.592 4.876 1.00 0.00 H new ATOM 1226 N THR A 77 -3.494 -7.135 5.133 1.00 0.00 N ATOM 1227 CA THR A 77 -4.328 -7.884 6.064 1.00 0.00 C ATOM 1228 C THR A 77 -5.125 -8.965 5.342 1.00 0.00 C ATOM 1229 O THR A 77 -5.231 -10.095 5.819 1.00 0.00 O ATOM 1230 CB THR A 77 -5.303 -6.958 6.815 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.573 -5.962 7.540 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.175 -7.754 7.774 1.00 0.00 C ATOM 0 H THR A 77 -3.771 -6.161 5.008 1.00 0.00 H new ATOM 0 HA THR A 77 -3.656 -8.352 6.784 1.00 0.00 H new ATOM 0 HB THR A 77 -5.947 -6.473 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.200 -5.376 8.013 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.855 -7.079 8.293 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.752 -8.491 7.215 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.544 -8.263 8.502 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.683 -8.611 4.190 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.472 -9.551 3.403 1.00 0.00 C ATOM 1242 C TYR A 78 -5.655 -10.792 3.056 1.00 0.00 C ATOM 1243 O TYR A 78 -6.135 -11.919 3.179 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.972 -8.882 2.122 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.303 -9.859 1.017 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.220 -10.883 1.218 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.698 -9.758 -0.231 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.524 -11.779 0.212 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.996 -10.649 -1.244 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.910 -11.657 -1.017 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.211 -12.547 -2.022 1.00 0.00 O ATOM 0 H TYR A 78 -5.604 -7.680 3.780 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.328 -9.858 4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.860 -8.293 2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.212 -8.187 1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.704 -10.980 2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.983 -8.969 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.238 -12.570 0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.516 -10.557 -2.207 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.694 -12.322 -2.824 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.418 -10.575 2.622 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.533 -11.675 2.259 1.00 0.00 C ATOM 1263 C ILE A 79 -3.226 -12.555 3.467 1.00 0.00 C ATOM 1264 O ILE A 79 -3.177 -13.781 3.358 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.209 -11.159 1.665 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.467 -10.433 0.344 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.236 -12.310 1.461 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.315 -9.559 -0.101 1.00 0.00 C ATOM 0 H ILE A 79 -4.006 -9.648 2.513 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.055 -12.265 1.506 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.764 -10.453 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.674 -11.170 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.361 -9.818 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.305 -11.929 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.033 -12.789 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.672 -13.038 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.568 -9.076 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.122 -8.799 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.424 -10.172 -0.235 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.022 -11.922 4.617 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.723 -12.647 5.846 1.00 0.00 C ATOM 1282 C ASP A 80 -3.818 -13.660 6.160 1.00 0.00 C ATOM 1283 O ASP A 80 -3.539 -14.829 6.432 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.564 -11.672 7.013 1.00 0.00 C ATOM 1285 CG ASP A 80 -1.644 -12.205 8.093 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -1.864 -13.347 8.549 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -0.704 -11.482 8.484 1.00 0.00 O ATOM 0 H ASP A 80 -3.058 -10.908 4.724 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.786 -13.185 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.172 -10.726 6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.543 -11.464 7.444 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.066 -13.206 6.121 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.205 -14.073 6.402 1.00 0.00 C ATOM 1294 C LEU A 81 -6.231 -15.265 5.449 1.00 0.00 C ATOM 1295 O LEU A 81 -6.088 -16.413 5.870 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.511 -13.285 6.286 1.00 0.00 C ATOM 1297 CG LEU A 81 -7.942 -12.513 7.533 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -7.244 -11.163 7.593 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -9.454 -12.334 7.554 1.00 0.00 C ATOM 0 H LEU A 81 -5.315 -12.242 5.898 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.102 -14.448 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.414 -12.579 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.308 -13.979 6.019 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.652 -13.089 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.563 -10.628 8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.165 -11.313 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.503 -10.580 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.743 -11.782 8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.767 -11.780 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.936 -13.312 7.559 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.412 -14.984 4.164 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.452 -16.031 3.150 1.00 0.00 C ATOM 1313 C LYS A 82 -5.315 -17.028 3.352 1.00 0.00 C ATOM 1314 O LYS A 82 -5.540 -18.236 3.411 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.365 -15.418 1.750 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.699 -14.924 1.218 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.504 -16.052 0.596 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.999 -15.784 0.680 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.395 -14.599 -0.130 1.00 0.00 N ATOM 0 H LYS A 82 -6.533 -14.039 3.799 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.399 -16.562 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.661 -14.586 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.962 -16.161 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.270 -14.472 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.529 -14.145 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.214 -16.175 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.272 -16.988 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.545 -16.661 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.282 -15.624 1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.764 -13.857 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.566 -14.237 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.132 -14.874 -0.811 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.094 -16.512 3.457 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.923 -17.359 3.652 1.00 0.00 C ATOM 1335 C GLU A 83 -3.168 -18.380 4.760 1.00 0.00 C ATOM 1336 O GLU A 83 -3.174 -19.586 4.516 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.701 -16.505 3.994 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.105 -15.788 2.794 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.118 -14.707 3.191 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.463 -13.879 4.059 1.00 0.00 O ATOM 1341 OE2 GLU A 83 0.999 -14.688 2.631 1.00 0.00 O ATOM 0 H GLU A 83 -3.890 -15.514 3.410 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.735 -17.895 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.983 -15.767 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.938 -17.141 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.605 -16.514 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.908 -15.344 2.206 1.00 0.00 H new