USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -1.86! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 15 TYR OH : rot -156:sc= 0.635 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.37) USER MOD Single : A 23 TYR OH : rot 180:sc= 1.24 USER MOD Single : A 25 GLN : amide:sc= -0.979 K(o=-0.98,f=0) USER MOD Single : A 29 SER OG : rot 71:sc= 0.465 USER MOD Single : A 30 MET CE :methyl 160:sc= -0.112 (180deg=-0.648) USER MOD Single : A 51 GLN : amide:sc=-0.00973 K(o=-0.0097,f=-2.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 56 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.5!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0614 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 10.329 -8.527 -8.324 1.00 0.00 N ATOM 89 CA SER A 7 11.242 -9.345 -7.544 1.00 0.00 C ATOM 90 C SER A 7 10.599 -9.793 -6.234 1.00 0.00 C ATOM 91 O SER A 7 10.162 -10.937 -6.113 1.00 0.00 O ATOM 92 CB SER A 7 12.537 -8.571 -7.281 1.00 0.00 C ATOM 93 OG SER A 7 13.495 -9.376 -6.621 1.00 0.00 O ATOM 0 HA SER A 7 11.478 -10.243 -8.115 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.948 -8.215 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.320 -7.691 -6.676 1.00 0.00 H new ATOM 0 HG SER A 7 14.311 -8.855 -6.469 1.00 0.00 H new ATOM 99 N ARG A 8 10.520 -8.893 -5.264 1.00 0.00 N ATOM 100 CA ARG A 8 9.984 -9.237 -3.960 1.00 0.00 C ATOM 101 C ARG A 8 8.501 -8.918 -3.894 1.00 0.00 C ATOM 102 O ARG A 8 7.966 -8.205 -4.747 1.00 0.00 O ATOM 103 CB ARG A 8 10.734 -8.483 -2.859 1.00 0.00 C ATOM 104 CG ARG A 8 11.246 -9.384 -1.748 1.00 0.00 C ATOM 105 CD ARG A 8 12.160 -10.465 -2.299 1.00 0.00 C ATOM 106 NE ARG A 8 12.739 -11.300 -1.248 1.00 0.00 N ATOM 107 CZ ARG A 8 13.552 -12.328 -1.490 1.00 0.00 C ATOM 108 NH1 ARG A 8 13.782 -12.706 -2.737 1.00 0.00 N ATOM 109 NH2 ARG A 8 14.113 -12.991 -0.487 1.00 0.00 N ATOM 0 H ARG A 8 10.820 -7.923 -5.357 1.00 0.00 H new ATOM 0 HA ARG A 8 10.118 -10.308 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.576 -7.952 -3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.073 -7.730 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.785 -8.788 -1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.404 -9.844 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.598 -11.094 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.962 -10.000 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 8 12.509 -11.084 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.338 -12.211 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.404 -13.492 -2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.923 -12.715 0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.734 -13.777 -0.679 1.00 0.00 H new ATOM 123 N SER A 9 7.842 -9.462 -2.891 1.00 0.00 N ATOM 124 CA SER A 9 6.431 -9.219 -2.681 1.00 0.00 C ATOM 125 C SER A 9 6.177 -8.871 -1.220 1.00 0.00 C ATOM 126 O SER A 9 6.777 -9.461 -0.316 1.00 0.00 O ATOM 127 CB SER A 9 5.621 -10.447 -3.087 1.00 0.00 C ATOM 128 OG SER A 9 5.957 -10.853 -4.401 1.00 0.00 O ATOM 0 H SER A 9 8.268 -10.082 -2.202 1.00 0.00 H new ATOM 0 HA SER A 9 6.117 -8.378 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.811 -11.262 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.556 -10.222 -3.031 1.00 0.00 H new ATOM 0 HG SER A 9 5.430 -11.642 -4.644 1.00 0.00 H new ATOM 134 N TYR A 10 5.310 -7.902 -0.996 1.00 0.00 N ATOM 135 CA TYR A 10 5.009 -7.442 0.348 1.00 0.00 C ATOM 136 C TYR A 10 3.527 -7.624 0.644 1.00 0.00 C ATOM 137 O TYR A 10 2.675 -7.287 -0.175 1.00 0.00 O ATOM 138 CB TYR A 10 5.391 -5.966 0.503 1.00 0.00 C ATOM 139 CG TYR A 10 6.821 -5.659 0.106 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.862 -5.803 1.013 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.127 -5.223 -1.179 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.167 -5.523 0.653 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.430 -4.944 -1.546 1.00 0.00 C ATOM 144 CZ TYR A 10 9.446 -5.095 -0.625 1.00 0.00 C ATOM 145 OH TYR A 10 10.748 -4.816 -0.982 1.00 0.00 O ATOM 0 H TYR A 10 4.798 -7.415 -1.732 1.00 0.00 H new ATOM 0 HA TYR A 10 5.590 -8.034 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.718 -5.360 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.240 -5.668 1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.649 -6.139 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.334 -5.101 -1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.965 -5.640 1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.652 -4.609 -2.549 1.00 0.00 H new ATOM 0 HH TYR A 10 10.776 -4.527 -1.918 1.00 0.00 H new ATOM 155 N ARG A 11 3.227 -8.172 1.808 1.00 0.00 N ATOM 156 CA ARG A 11 1.848 -8.369 2.229 1.00 0.00 C ATOM 157 C ARG A 11 1.361 -7.133 2.970 1.00 0.00 C ATOM 158 O ARG A 11 2.145 -6.457 3.628 1.00 0.00 O ATOM 159 CB ARG A 11 1.736 -9.580 3.158 1.00 0.00 C ATOM 160 CG ARG A 11 2.401 -10.840 2.624 1.00 0.00 C ATOM 161 CD ARG A 11 1.529 -11.551 1.604 1.00 0.00 C ATOM 162 NE ARG A 11 0.366 -12.183 2.226 1.00 0.00 N ATOM 163 CZ ARG A 11 -0.722 -12.569 1.560 1.00 0.00 C ATOM 164 NH1 ARG A 11 -0.805 -12.386 0.247 1.00 0.00 N ATOM 165 NH2 ARG A 11 -1.717 -13.157 2.211 1.00 0.00 N ATOM 0 H ARG A 11 3.922 -8.491 2.483 1.00 0.00 H new ATOM 0 HA ARG A 11 1.238 -8.541 1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.181 -9.328 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.682 -9.788 3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.356 -10.581 2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.616 -11.516 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.195 -10.837 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.119 -12.307 1.086 1.00 0.00 H new ATOM 0 HE ARG A 11 0.389 -12.338 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.034 -11.948 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.640 -12.683 -0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.647 -13.312 3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.552 -13.454 1.706 1.00 0.00 H new ATOM 179 N ILE A 12 0.081 -6.839 2.867 1.00 0.00 N ATOM 180 CA ILE A 12 -0.496 -5.735 3.620 1.00 0.00 C ATOM 181 C ILE A 12 -1.260 -6.276 4.819 1.00 0.00 C ATOM 182 O ILE A 12 -2.273 -6.956 4.654 1.00 0.00 O ATOM 183 CB ILE A 12 -1.455 -4.870 2.769 1.00 0.00 C ATOM 184 CG1 ILE A 12 -0.758 -4.371 1.501 1.00 0.00 C ATOM 185 CG2 ILE A 12 -1.971 -3.689 3.585 1.00 0.00 C ATOM 186 CD1 ILE A 12 -1.640 -3.507 0.620 1.00 0.00 C ATOM 0 H ILE A 12 -0.579 -7.343 2.275 1.00 0.00 H new ATOM 0 HA ILE A 12 0.332 -5.102 3.939 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.301 -5.491 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.127 -3.801 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.414 -5.230 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.645 -3.090 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.507 -4.058 4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.130 -3.074 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.078 -3.191 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.513 -4.079 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.964 -2.629 1.179 1.00 0.00 H new ATOM 198 N THR A 13 -0.766 -5.994 6.015 1.00 0.00 N ATOM 199 CA THR A 13 -1.428 -6.455 7.228 1.00 0.00 C ATOM 200 C THR A 13 -2.588 -5.540 7.595 1.00 0.00 C ATOM 201 O THR A 13 -3.522 -5.950 8.284 1.00 0.00 O ATOM 202 CB THR A 13 -0.448 -6.542 8.412 1.00 0.00 C ATOM 203 OG1 THR A 13 0.428 -5.407 8.411 1.00 0.00 O ATOM 204 CG2 THR A 13 0.364 -7.824 8.350 1.00 0.00 C ATOM 0 H THR A 13 0.084 -5.453 6.172 1.00 0.00 H new ATOM 0 HA THR A 13 -1.810 -7.455 7.022 1.00 0.00 H new ATOM 0 HB THR A 13 -1.028 -6.547 9.335 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.047 -5.470 9.168 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.049 -7.862 9.197 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.307 -8.682 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.934 -7.849 7.421 1.00 0.00 H new ATOM 212 N GLY A 14 -2.530 -4.304 7.124 1.00 0.00 N ATOM 213 CA GLY A 14 -3.564 -3.351 7.443 1.00 0.00 C ATOM 214 C GLY A 14 -3.120 -1.931 7.203 1.00 0.00 C ATOM 215 O GLY A 14 -2.332 -1.665 6.293 1.00 0.00 O ATOM 0 H GLY A 14 -1.784 -3.947 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.448 -3.561 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.855 -3.468 8.487 1.00 0.00 H new ATOM 219 N TYR A 15 -3.601 -1.024 8.033 1.00 0.00 N ATOM 220 CA TYR A 15 -3.326 0.389 7.857 1.00 0.00 C ATOM 221 C TYR A 15 -2.561 0.945 9.048 1.00 0.00 C ATOM 222 O TYR A 15 -2.644 0.421 10.160 1.00 0.00 O ATOM 223 CB TYR A 15 -4.628 1.175 7.682 1.00 0.00 C ATOM 224 CG TYR A 15 -5.497 0.696 6.538 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.428 -0.317 6.722 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.390 1.262 5.275 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.228 -0.751 5.683 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.187 0.832 4.229 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.101 -0.175 4.439 1.00 0.00 C ATOM 230 OH TYR A 15 -7.898 -0.605 3.400 1.00 0.00 O ATOM 0 H TYR A 15 -4.187 -1.243 8.839 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.716 0.497 6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.201 1.116 8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.386 2.226 7.523 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.529 -0.774 7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.673 2.051 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.949 -1.538 5.846 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.092 1.284 3.253 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.459 -0.405 2.547 1.00 0.00 H new ATOM 240 N SER A 16 -1.824 2.008 8.795 1.00 0.00 N ATOM 241 CA SER A 16 -1.128 2.741 9.836 1.00 0.00 C ATOM 242 C SER A 16 -2.139 3.548 10.648 1.00 0.00 C ATOM 243 O SER A 16 -3.074 4.117 10.081 1.00 0.00 O ATOM 244 CB SER A 16 -0.083 3.670 9.199 1.00 0.00 C ATOM 245 OG SER A 16 0.604 4.449 10.167 1.00 0.00 O ATOM 0 H SER A 16 -1.690 2.390 7.859 1.00 0.00 H new ATOM 0 HA SER A 16 -0.617 2.045 10.501 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.637 3.074 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.574 4.331 8.485 1.00 0.00 H new ATOM 0 HG SER A 16 1.260 5.024 9.719 1.00 0.00 H new ATOM 251 N PRO A 17 -1.974 3.610 11.980 1.00 0.00 N ATOM 252 CA PRO A 17 -2.896 4.335 12.874 1.00 0.00 C ATOM 253 C PRO A 17 -2.988 5.831 12.566 1.00 0.00 C ATOM 254 O PRO A 17 -3.836 6.538 13.112 1.00 0.00 O ATOM 255 CB PRO A 17 -2.294 4.114 14.268 1.00 0.00 C ATOM 256 CG PRO A 17 -1.426 2.915 14.128 1.00 0.00 C ATOM 257 CD PRO A 17 -0.886 2.960 12.729 1.00 0.00 C ATOM 0 HA PRO A 17 -3.917 3.970 12.766 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.719 4.982 14.591 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.073 3.952 15.013 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.618 2.930 14.859 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.993 2.000 14.299 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.041 3.530 12.672 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.671 1.962 12.346 1.00 0.00 H new ATOM 265 N ALA A 18 -2.118 6.305 11.684 1.00 0.00 N ATOM 266 CA ALA A 18 -2.102 7.709 11.296 1.00 0.00 C ATOM 267 C ALA A 18 -3.159 8.009 10.233 1.00 0.00 C ATOM 268 O ALA A 18 -3.368 9.170 9.872 1.00 0.00 O ATOM 269 CB ALA A 18 -0.721 8.102 10.796 1.00 0.00 C ATOM 0 H ALA A 18 -1.410 5.734 11.222 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.342 8.302 12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.723 9.154 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.011 7.943 11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.459 7.491 9.932 1.00 0.00 H new ATOM 275 N ILE A 19 -3.821 6.966 9.737 1.00 0.00 N ATOM 276 CA ILE A 19 -4.860 7.132 8.730 1.00 0.00 C ATOM 277 C ILE A 19 -6.163 7.587 9.392 1.00 0.00 C ATOM 278 O ILE A 19 -6.516 7.125 10.481 1.00 0.00 O ATOM 279 CB ILE A 19 -5.089 5.823 7.924 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.929 6.101 6.679 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.756 4.753 8.784 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.071 4.904 5.766 1.00 0.00 C ATOM 0 H ILE A 19 -3.655 5.999 10.017 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.529 7.897 8.027 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.114 5.448 7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.921 6.433 6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.477 6.921 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.903 3.850 8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.121 4.526 9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.721 5.118 9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.680 5.175 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.085 4.585 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.551 4.089 6.307 1.00 0.00 H new ATOM 294 N SER A 20 -6.863 8.509 8.751 1.00 0.00 N ATOM 295 CA SER A 20 -8.071 9.073 9.328 1.00 0.00 C ATOM 296 C SER A 20 -9.033 9.573 8.252 1.00 0.00 C ATOM 297 O SER A 20 -8.694 9.585 7.065 1.00 0.00 O ATOM 298 CB SER A 20 -7.691 10.213 10.281 1.00 0.00 C ATOM 299 OG SER A 20 -6.669 11.029 9.723 1.00 0.00 O ATOM 0 H SER A 20 -6.616 8.881 7.834 1.00 0.00 H new ATOM 0 HA SER A 20 -8.588 8.288 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.570 10.821 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.352 9.799 11.231 1.00 0.00 H new ATOM 0 HG SER A 20 -6.447 11.749 10.350 1.00 0.00 H new ATOM 305 N ASN A 21 -10.246 9.934 8.683 1.00 0.00 N ATOM 306 CA ASN A 21 -11.243 10.582 7.822 1.00 0.00 C ATOM 307 C ASN A 21 -11.751 9.631 6.734 1.00 0.00 C ATOM 308 O ASN A 21 -12.001 10.037 5.597 1.00 0.00 O ATOM 309 CB ASN A 21 -10.660 11.863 7.205 1.00 0.00 C ATOM 310 CG ASN A 21 -11.704 12.724 6.507 1.00 0.00 C ATOM 311 OD1 ASN A 21 -11.404 13.411 5.527 1.00 0.00 O ATOM 312 ND2 ASN A 21 -12.926 12.720 7.016 1.00 0.00 N ATOM 0 H ASN A 21 -10.566 9.785 9.640 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.099 10.851 8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.180 12.450 7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.884 11.593 6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.655 13.297 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.139 12.139 7.827 1.00 0.00 H new ATOM 319 N GLY A 22 -11.918 8.364 7.093 1.00 0.00 N ATOM 320 CA GLY A 22 -12.512 7.399 6.182 1.00 0.00 C ATOM 321 C GLY A 22 -11.634 7.067 4.994 1.00 0.00 C ATOM 322 O GLY A 22 -12.117 6.570 3.974 1.00 0.00 O ATOM 0 H GLY A 22 -11.652 7.985 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.731 6.482 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.464 7.790 5.822 1.00 0.00 H new ATOM 326 N TYR A 23 -10.342 7.316 5.131 1.00 0.00 N ATOM 327 CA TYR A 23 -9.406 7.080 4.045 1.00 0.00 C ATOM 328 C TYR A 23 -9.294 5.583 3.752 1.00 0.00 C ATOM 329 O TYR A 23 -8.935 5.184 2.651 1.00 0.00 O ATOM 330 CB TYR A 23 -8.042 7.675 4.389 1.00 0.00 C ATOM 331 CG TYR A 23 -7.205 8.016 3.177 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.650 8.948 2.249 1.00 0.00 C ATOM 333 CD2 TYR A 23 -5.970 7.416 2.961 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.892 9.273 1.143 1.00 0.00 C ATOM 335 CE2 TYR A 23 -5.202 7.740 1.857 1.00 0.00 C ATOM 336 CZ TYR A 23 -5.669 8.670 0.951 1.00 0.00 C ATOM 337 OH TYR A 23 -4.912 9.002 -0.149 1.00 0.00 O ATOM 0 H TYR A 23 -9.918 7.681 5.984 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.777 7.571 3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.188 8.577 4.984 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.493 6.968 5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.607 9.427 2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.604 6.685 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.257 9.998 0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.243 7.268 1.705 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.077 8.489 -0.138 1.00 0.00 H new ATOM 347 N ARG A 24 -9.631 4.760 4.744 1.00 0.00 N ATOM 348 CA ARG A 24 -9.662 3.320 4.573 1.00 0.00 C ATOM 349 C ARG A 24 -10.730 2.922 3.566 1.00 0.00 C ATOM 350 O ARG A 24 -10.512 2.043 2.735 1.00 0.00 O ATOM 351 CB ARG A 24 -9.948 2.652 5.912 1.00 0.00 C ATOM 352 CG ARG A 24 -8.748 2.552 6.836 1.00 0.00 C ATOM 353 CD ARG A 24 -9.122 1.883 8.152 1.00 0.00 C ATOM 354 NE ARG A 24 -9.882 0.650 7.941 1.00 0.00 N ATOM 355 CZ ARG A 24 -10.058 -0.295 8.866 1.00 0.00 C ATOM 356 NH1 ARG A 24 -9.451 -0.210 10.046 1.00 0.00 N ATOM 357 NH2 ARG A 24 -10.826 -1.343 8.592 1.00 0.00 N ATOM 0 H ARG A 24 -9.887 5.076 5.679 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.692 2.993 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.736 3.208 6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.333 1.649 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.956 1.984 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.352 3.548 7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.216 1.659 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.711 2.574 8.756 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.306 0.503 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.844 0.583 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.593 -0.938 10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.276 -1.421 7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.966 -2.070 9.294 1.00 0.00 H new ATOM 371 N GLN A 25 -11.883 3.577 3.641 1.00 0.00 N ATOM 372 CA GLN A 25 -12.974 3.300 2.731 1.00 0.00 C ATOM 373 C GLN A 25 -12.618 3.766 1.331 1.00 0.00 C ATOM 374 O GLN A 25 -12.976 3.128 0.340 1.00 0.00 O ATOM 375 CB GLN A 25 -14.246 3.991 3.215 1.00 0.00 C ATOM 376 CG GLN A 25 -14.734 3.499 4.570 1.00 0.00 C ATOM 377 CD GLN A 25 -16.026 4.167 5.009 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.835 3.574 5.725 1.00 0.00 O ATOM 379 NE2 GLN A 25 -16.230 5.407 4.588 1.00 0.00 N ATOM 0 H GLN A 25 -12.081 4.305 4.327 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.149 2.224 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.066 5.065 3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.034 3.838 2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.885 2.420 4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.963 3.684 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.537 5.865 3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.080 5.903 4.856 1.00 0.00 H new ATOM 388 N ARG A 26 -11.893 4.872 1.262 1.00 0.00 N ATOM 389 CA ARG A 26 -11.432 5.412 -0.007 1.00 0.00 C ATOM 390 C ARG A 26 -10.431 4.453 -0.646 1.00 0.00 C ATOM 391 O ARG A 26 -10.480 4.188 -1.848 1.00 0.00 O ATOM 392 CB ARG A 26 -10.780 6.777 0.215 1.00 0.00 C ATOM 393 CG ARG A 26 -10.867 7.702 -0.986 1.00 0.00 C ATOM 394 CD ARG A 26 -12.317 8.005 -1.328 1.00 0.00 C ATOM 395 NE ARG A 26 -12.449 9.125 -2.251 1.00 0.00 N ATOM 396 CZ ARG A 26 -13.492 9.950 -2.264 1.00 0.00 C ATOM 397 NH1 ARG A 26 -14.505 9.747 -1.429 1.00 0.00 N ATOM 398 NH2 ARG A 26 -13.523 10.973 -3.111 1.00 0.00 N ATOM 0 H ARG A 26 -11.610 5.416 2.077 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.285 5.531 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.254 7.261 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.731 6.630 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.336 8.630 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.375 7.241 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.776 7.120 -1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.865 8.226 -0.412 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.700 9.285 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.481 8.960 -0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.306 10.378 -1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.746 11.127 -3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.324 11.604 -3.119 1.00 0.00 H new ATOM 412 N LEU A 27 -9.542 3.917 0.183 1.00 0.00 N ATOM 413 CA LEU A 27 -8.520 2.987 -0.279 1.00 0.00 C ATOM 414 C LEU A 27 -9.144 1.651 -0.653 1.00 0.00 C ATOM 415 O LEU A 27 -8.708 0.996 -1.598 1.00 0.00 O ATOM 416 CB LEU A 27 -7.450 2.793 0.800 1.00 0.00 C ATOM 417 CG LEU A 27 -6.563 4.013 1.060 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.515 3.695 2.113 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.902 4.484 -0.228 1.00 0.00 C ATOM 0 H LEU A 27 -9.509 4.113 1.184 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.047 3.407 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.942 2.515 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.814 1.955 0.513 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.193 4.820 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.894 4.574 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.008 3.412 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.891 2.871 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.276 5.352 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.286 3.682 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.670 4.756 -0.953 1.00 0.00 H new ATOM 431 N PHE A 28 -10.176 1.264 0.085 1.00 0.00 N ATOM 432 CA PHE A 28 -10.921 0.044 -0.206 1.00 0.00 C ATOM 433 C PHE A 28 -11.496 0.098 -1.615 1.00 0.00 C ATOM 434 O PHE A 28 -11.426 -0.871 -2.368 1.00 0.00 O ATOM 435 CB PHE A 28 -12.056 -0.121 0.801 1.00 0.00 C ATOM 436 CG PHE A 28 -12.714 -1.472 0.766 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.171 -2.534 1.468 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.875 -1.678 0.036 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.771 -3.780 1.440 1.00 0.00 C ATOM 440 CE2 PHE A 28 -14.477 -2.921 0.005 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.926 -3.972 0.708 1.00 0.00 C ATOM 0 H PHE A 28 -10.519 1.781 0.895 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.242 -0.805 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.667 0.056 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.810 0.644 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.269 -2.388 2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.313 -0.858 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.337 -4.602 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.379 -3.070 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 28 -14.397 -4.944 0.686 1.00 0.00 H new ATOM 451 N SER A 29 -12.060 1.248 -1.953 1.00 0.00 N ATOM 452 CA SER A 29 -12.633 1.474 -3.274 1.00 0.00 C ATOM 453 C SER A 29 -11.567 1.348 -4.355 1.00 0.00 C ATOM 454 O SER A 29 -11.832 0.856 -5.451 1.00 0.00 O ATOM 455 CB SER A 29 -13.266 2.861 -3.336 1.00 0.00 C ATOM 456 OG SER A 29 -14.286 3.005 -2.362 1.00 0.00 O ATOM 0 H SER A 29 -12.134 2.048 -1.324 1.00 0.00 H new ATOM 0 HA SER A 29 -13.397 0.717 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.500 3.620 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.682 3.029 -4.329 1.00 0.00 H new ATOM 0 HG SER A 29 -13.883 3.046 -1.470 1.00 0.00 H new ATOM 462 N MET A 30 -10.360 1.781 -4.030 1.00 0.00 N ATOM 463 CA MET A 30 -9.255 1.752 -4.976 1.00 0.00 C ATOM 464 C MET A 30 -8.723 0.335 -5.131 1.00 0.00 C ATOM 465 O MET A 30 -8.350 -0.086 -6.227 1.00 0.00 O ATOM 466 CB MET A 30 -8.132 2.688 -4.519 1.00 0.00 C ATOM 467 CG MET A 30 -8.510 4.161 -4.543 1.00 0.00 C ATOM 468 SD MET A 30 -7.165 5.237 -4.018 1.00 0.00 S ATOM 469 CE MET A 30 -5.946 4.909 -5.289 1.00 0.00 C ATOM 0 H MET A 30 -10.119 2.159 -3.114 1.00 0.00 H new ATOM 0 HA MET A 30 -9.624 2.095 -5.943 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.835 2.416 -3.506 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.262 2.536 -5.158 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.816 4.436 -5.552 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.371 4.321 -3.894 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.225 5.726 -5.321 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.428 3.976 -5.065 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.442 4.825 -6.256 1.00 0.00 H new ATOM 479 N GLY A 31 -8.719 -0.404 -4.031 1.00 0.00 N ATOM 480 CA GLY A 31 -8.201 -1.755 -4.049 1.00 0.00 C ATOM 481 C GLY A 31 -7.039 -1.935 -3.095 1.00 0.00 C ATOM 482 O GLY A 31 -6.304 -2.917 -3.180 1.00 0.00 O ATOM 0 H GLY A 31 -9.066 -0.090 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.997 -2.451 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.881 -2.006 -5.060 1.00 0.00 H new ATOM 486 N LEU A 32 -6.864 -0.982 -2.188 1.00 0.00 N ATOM 487 CA LEU A 32 -5.788 -1.056 -1.211 1.00 0.00 C ATOM 488 C LEU A 32 -6.341 -1.447 0.154 1.00 0.00 C ATOM 489 O LEU A 32 -6.771 -0.592 0.932 1.00 0.00 O ATOM 490 CB LEU A 32 -5.048 0.283 -1.119 1.00 0.00 C ATOM 491 CG LEU A 32 -4.379 0.750 -2.415 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.725 2.107 -2.221 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.353 -0.270 -2.889 1.00 0.00 C ATOM 0 H LEU A 32 -7.452 -0.152 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.080 -1.819 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.754 1.049 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.286 0.206 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.150 0.844 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.255 2.421 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.481 2.837 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.969 2.038 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.890 0.081 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.587 -0.398 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.847 -1.225 -3.072 1.00 0.00 H new ATOM 505 N LEU A 33 -6.354 -2.743 0.428 1.00 0.00 N ATOM 506 CA LEU A 33 -6.868 -3.259 1.683 1.00 0.00 C ATOM 507 C LEU A 33 -5.958 -4.363 2.217 1.00 0.00 C ATOM 508 O LEU A 33 -5.164 -4.933 1.466 1.00 0.00 O ATOM 509 CB LEU A 33 -8.295 -3.798 1.497 1.00 0.00 C ATOM 510 CG LEU A 33 -8.448 -4.984 0.535 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.714 -5.762 0.861 1.00 0.00 C ATOM 512 CD2 LEU A 33 -8.492 -4.510 -0.911 1.00 0.00 C ATOM 0 H LEU A 33 -6.010 -3.461 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.892 -2.443 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.679 -4.096 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.926 -2.984 1.141 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.583 -5.635 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.813 -6.601 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.658 -6.136 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.579 -5.107 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.601 -5.369 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.339 -3.837 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.568 -3.983 -1.150 1.00 0.00 H new ATOM 524 N PRO A 34 -6.048 -4.667 3.524 1.00 0.00 N ATOM 525 CA PRO A 34 -5.281 -5.752 4.141 1.00 0.00 C ATOM 526 C PRO A 34 -5.556 -7.092 3.464 1.00 0.00 C ATOM 527 O PRO A 34 -6.712 -7.476 3.273 1.00 0.00 O ATOM 528 CB PRO A 34 -5.770 -5.777 5.595 1.00 0.00 C ATOM 529 CG PRO A 34 -7.037 -4.993 5.601 1.00 0.00 C ATOM 530 CD PRO A 34 -6.902 -3.980 4.504 1.00 0.00 C ATOM 0 HA PRO A 34 -4.207 -5.591 4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.939 -6.799 5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.032 -5.336 6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.897 -5.640 5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.190 -4.507 6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.870 -3.713 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.445 -3.057 4.861 1.00 0.00 H new ATOM 538 N GLY A 35 -4.495 -7.795 3.104 1.00 0.00 N ATOM 539 CA GLY A 35 -4.643 -9.052 2.401 1.00 0.00 C ATOM 540 C GLY A 35 -4.174 -8.963 0.962 1.00 0.00 C ATOM 541 O GLY A 35 -3.925 -9.980 0.316 1.00 0.00 O ATOM 0 H GLY A 35 -3.531 -7.517 3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.075 -9.825 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.689 -9.357 2.422 1.00 0.00 H new ATOM 545 N ALA A 36 -4.048 -7.744 0.458 1.00 0.00 N ATOM 546 CA ALA A 36 -3.587 -7.528 -0.905 1.00 0.00 C ATOM 547 C ALA A 36 -2.065 -7.453 -0.954 1.00 0.00 C ATOM 548 O ALA A 36 -1.473 -6.439 -0.603 1.00 0.00 O ATOM 549 CB ALA A 36 -4.205 -6.260 -1.482 1.00 0.00 C ATOM 0 H ALA A 36 -4.259 -6.889 0.973 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.906 -8.375 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.850 -6.114 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.291 -6.354 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.917 -5.404 -0.871 1.00 0.00 H new ATOM 555 N ALA A 37 -1.438 -8.544 -1.352 1.00 0.00 N ATOM 556 CA ALA A 37 0.012 -8.577 -1.493 1.00 0.00 C ATOM 557 C ALA A 37 0.452 -7.846 -2.754 1.00 0.00 C ATOM 558 O ALA A 37 -0.124 -8.034 -3.826 1.00 0.00 O ATOM 559 CB ALA A 37 0.517 -10.009 -1.512 1.00 0.00 C ATOM 0 H ALA A 37 -1.906 -9.420 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 37 0.444 -8.067 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.602 -10.011 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.243 -10.504 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.070 -10.541 -2.351 1.00 0.00 H new ATOM 565 N LEU A 38 1.475 -7.018 -2.620 1.00 0.00 N ATOM 566 CA LEU A 38 1.978 -6.238 -3.738 1.00 0.00 C ATOM 567 C LEU A 38 3.349 -6.743 -4.169 1.00 0.00 C ATOM 568 O LEU A 38 4.205 -7.025 -3.329 1.00 0.00 O ATOM 569 CB LEU A 38 2.093 -4.761 -3.352 1.00 0.00 C ATOM 570 CG LEU A 38 0.857 -4.149 -2.682 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.137 -2.715 -2.263 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.342 -4.202 -3.615 1.00 0.00 C ATOM 0 H LEU A 38 1.975 -6.869 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 38 1.275 -6.346 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.943 -4.646 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.318 -4.186 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 38 0.626 -4.734 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.250 -2.295 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.968 -2.698 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.394 -2.123 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.208 -3.763 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.121 -3.642 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.558 -5.239 -3.871 1.00 0.00 H new ATOM 584 N ARG A 39 3.551 -6.869 -5.469 1.00 0.00 N ATOM 585 CA ARG A 39 4.861 -7.195 -6.009 1.00 0.00 C ATOM 586 C ARG A 39 5.588 -5.920 -6.390 1.00 0.00 C ATOM 587 O ARG A 39 4.964 -4.948 -6.797 1.00 0.00 O ATOM 588 CB ARG A 39 4.748 -8.114 -7.225 1.00 0.00 C ATOM 589 CG ARG A 39 4.513 -9.566 -6.861 1.00 0.00 C ATOM 590 CD ARG A 39 3.033 -9.920 -6.848 1.00 0.00 C ATOM 591 NE ARG A 39 2.489 -10.048 -8.201 1.00 0.00 N ATOM 592 CZ ARG A 39 1.364 -10.698 -8.494 1.00 0.00 C ATOM 593 NH1 ARG A 39 0.605 -11.189 -7.528 1.00 0.00 N ATOM 594 NH2 ARG A 39 0.991 -10.832 -9.758 1.00 0.00 N ATOM 0 H ARG A 39 2.822 -6.750 -6.173 1.00 0.00 H new ATOM 0 HA ARG A 39 5.425 -7.723 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.930 -7.769 -7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.661 -8.038 -7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.032 -10.207 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.942 -9.767 -5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.889 -10.856 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.481 -9.152 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 39 3.003 -9.612 -8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.880 -11.071 -6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.256 -11.686 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.565 -10.438 -10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.130 -11.329 -9.986 1.00 0.00 H new ATOM 608 N VAL A 40 6.900 -5.921 -6.260 1.00 0.00 N ATOM 609 CA VAL A 40 7.683 -4.719 -6.524 1.00 0.00 C ATOM 610 C VAL A 40 8.010 -4.594 -8.007 1.00 0.00 C ATOM 611 O VAL A 40 8.551 -5.517 -8.613 1.00 0.00 O ATOM 612 CB VAL A 40 8.989 -4.691 -5.685 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.949 -5.795 -6.100 1.00 0.00 C ATOM 614 CG2 VAL A 40 9.660 -3.330 -5.779 1.00 0.00 C ATOM 0 H VAL A 40 7.448 -6.733 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 40 7.072 -3.867 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 40 8.714 -4.871 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.851 -5.742 -5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.472 -6.765 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.214 -5.671 -7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.573 -3.333 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.906 -3.117 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.983 -2.564 -5.401 1.00 0.00 H new ATOM 624 N VAL A 41 7.635 -3.467 -8.603 1.00 0.00 N ATOM 625 CA VAL A 41 8.017 -3.190 -9.977 1.00 0.00 C ATOM 626 C VAL A 41 9.171 -2.189 -10.025 1.00 0.00 C ATOM 627 O VAL A 41 10.183 -2.443 -10.680 1.00 0.00 O ATOM 628 CB VAL A 41 6.832 -2.664 -10.819 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.276 -2.343 -12.242 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.699 -3.681 -10.829 1.00 0.00 C ATOM 0 H VAL A 41 7.073 -2.740 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 41 8.340 -4.136 -10.412 1.00 0.00 H new ATOM 0 HB VAL A 41 6.470 -1.743 -10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.425 -1.975 -12.814 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.054 -1.580 -12.217 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.667 -3.245 -12.713 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.871 -3.298 -11.426 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.054 -4.617 -11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.359 -3.858 -9.808 1.00 0.00 H new ATOM 640 N ARG A 42 9.042 -1.061 -9.311 1.00 0.00 N ATOM 641 CA ARG A 42 10.067 -0.014 -9.381 1.00 0.00 C ATOM 642 C ARG A 42 9.776 1.161 -8.444 1.00 0.00 C ATOM 643 O ARG A 42 8.634 1.391 -8.045 1.00 0.00 O ATOM 644 CB ARG A 42 10.155 0.521 -10.811 1.00 0.00 C ATOM 645 CG ARG A 42 11.560 0.873 -11.264 1.00 0.00 C ATOM 646 CD ARG A 42 11.542 1.480 -12.657 1.00 0.00 C ATOM 647 NE ARG A 42 10.638 0.753 -13.551 1.00 0.00 N ATOM 648 CZ ARG A 42 10.675 0.827 -14.878 1.00 0.00 C ATOM 649 NH1 ARG A 42 11.595 1.568 -15.483 1.00 0.00 N ATOM 650 NH2 ARG A 42 9.793 0.151 -15.601 1.00 0.00 N ATOM 0 H ARG A 42 8.257 -0.854 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 42 11.007 -0.470 -9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.743 -0.225 -11.491 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.527 1.408 -10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 42 12.008 1.576 -10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.183 -0.021 -11.260 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.233 2.523 -12.596 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.550 1.470 -13.072 1.00 0.00 H new ATOM 0 HE ARG A 42 9.933 0.150 -13.127 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.279 2.085 -14.930 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.618 1.621 -16.501 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.088 -0.424 -15.139 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.819 0.206 -16.619 1.00 0.00 H new ATOM 664 N ILE A 43 10.838 1.898 -8.113 1.00 0.00 N ATOM 665 CA ILE A 43 10.744 3.172 -7.394 1.00 0.00 C ATOM 666 C ILE A 43 11.571 4.212 -8.163 1.00 0.00 C ATOM 667 O ILE A 43 12.633 3.883 -8.695 1.00 0.00 O ATOM 668 CB ILE A 43 11.302 3.062 -5.949 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.493 2.050 -5.127 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.312 4.427 -5.261 1.00 0.00 C ATOM 671 CD1 ILE A 43 9.039 2.434 -4.943 1.00 0.00 C ATOM 0 H ILE A 43 11.795 1.626 -8.338 1.00 0.00 H new ATOM 0 HA ILE A 43 9.694 3.458 -7.328 1.00 0.00 H new ATOM 0 HB ILE A 43 12.330 2.706 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.543 1.077 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.957 1.939 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.707 4.322 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.940 5.115 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.296 4.818 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.533 1.670 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.978 3.392 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.558 2.516 -5.918 1.00 0.00 H new ATOM 683 N ALA A 44 11.092 5.450 -8.239 1.00 0.00 N ATOM 684 CA ALA A 44 11.814 6.504 -8.965 1.00 0.00 C ATOM 685 C ALA A 44 13.153 6.847 -8.304 1.00 0.00 C ATOM 686 O ALA A 44 13.321 6.678 -7.099 1.00 0.00 O ATOM 687 CB ALA A 44 10.969 7.760 -9.069 1.00 0.00 C ATOM 0 H ALA A 44 10.216 5.752 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 44 12.017 6.115 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.523 8.527 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.046 7.534 -9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.731 8.122 -8.069 1.00 0.00 H new ATOM 693 N PRO A 45 14.130 7.328 -9.100 1.00 0.00 N ATOM 694 CA PRO A 45 15.429 7.783 -8.579 1.00 0.00 C ATOM 695 C PRO A 45 15.316 9.071 -7.759 1.00 0.00 C ATOM 696 O PRO A 45 16.077 9.287 -6.816 1.00 0.00 O ATOM 697 CB PRO A 45 16.257 8.025 -9.844 1.00 0.00 C ATOM 698 CG PRO A 45 15.256 8.263 -10.923 1.00 0.00 C ATOM 699 CD PRO A 45 14.056 7.433 -10.570 1.00 0.00 C ATOM 0 HA PRO A 45 15.868 7.054 -7.898 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.919 8.883 -9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.887 7.166 -10.073 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.994 9.319 -10.985 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.656 7.976 -11.895 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.130 7.909 -10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.092 6.453 -11.045 1.00 0.00 H new ATOM 707 N LEU A 46 14.364 9.921 -8.136 1.00 0.00 N ATOM 708 CA LEU A 46 14.096 11.163 -7.410 1.00 0.00 C ATOM 709 C LEU A 46 13.577 10.861 -6.016 1.00 0.00 C ATOM 710 O LEU A 46 14.332 10.774 -5.047 1.00 0.00 O ATOM 711 CB LEU A 46 13.052 12.002 -8.155 1.00 0.00 C ATOM 712 CG LEU A 46 13.596 12.956 -9.224 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.625 13.903 -8.625 1.00 0.00 C ATOM 714 CD2 LEU A 46 14.191 12.183 -10.394 1.00 0.00 C ATOM 0 H LEU A 46 13.761 9.772 -8.945 1.00 0.00 H new ATOM 0 HA LEU A 46 15.031 11.720 -7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.341 11.325 -8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.496 12.587 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 46 12.763 13.549 -9.602 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.999 14.572 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.161 14.490 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.453 13.327 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.570 12.884 -11.138 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.008 11.555 -10.038 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.422 11.556 -10.845 1.00 0.00 H new ATOM 726 N GLY A 47 12.273 10.725 -5.935 1.00 0.00 N ATOM 727 CA GLY A 47 11.654 10.219 -4.747 1.00 0.00 C ATOM 728 C GLY A 47 11.002 8.914 -5.054 1.00 0.00 C ATOM 729 O GLY A 47 11.588 7.859 -4.812 1.00 0.00 O ATOM 0 H GLY A 47 11.624 10.961 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.398 10.092 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.916 10.930 -4.376 1.00 0.00 H new ATOM 733 N ASP A 48 9.820 8.996 -5.665 1.00 0.00 N ATOM 734 CA ASP A 48 9.061 7.807 -6.003 1.00 0.00 C ATOM 735 C ASP A 48 7.624 8.087 -6.402 1.00 0.00 C ATOM 736 O ASP A 48 6.931 8.910 -5.796 1.00 0.00 O ATOM 737 CB ASP A 48 8.996 6.852 -4.810 1.00 0.00 C ATOM 738 CG ASP A 48 8.144 7.388 -3.674 1.00 0.00 C ATOM 739 OD1 ASP A 48 8.630 8.257 -2.921 1.00 0.00 O ATOM 740 OD2 ASP A 48 6.974 6.964 -3.550 1.00 0.00 O ATOM 0 H ASP A 48 9.374 9.874 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 48 9.590 7.376 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.594 5.894 -5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.006 6.665 -4.444 1.00 0.00 H new ATOM 745 N PRO A 49 7.203 7.467 -7.500 1.00 0.00 N ATOM 746 CA PRO A 49 5.954 6.769 -7.551 1.00 0.00 C ATOM 747 C PRO A 49 6.258 5.307 -7.297 1.00 0.00 C ATOM 748 O PRO A 49 7.354 4.831 -7.605 1.00 0.00 O ATOM 749 CB PRO A 49 5.463 6.981 -8.985 1.00 0.00 C ATOM 750 CG PRO A 49 6.616 7.599 -9.724 1.00 0.00 C ATOM 751 CD PRO A 49 7.818 7.507 -8.817 1.00 0.00 C ATOM 0 HA PRO A 49 5.211 7.104 -6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.167 6.036 -9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.590 7.633 -9.007 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.799 7.075 -10.662 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.401 8.637 -9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.412 6.615 -9.017 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.481 8.364 -8.931 1.00 0.00 H new ATOM 759 N ILE A 50 5.321 4.591 -6.757 1.00 0.00 N ATOM 760 CA ILE A 50 5.599 3.231 -6.370 1.00 0.00 C ATOM 761 C ILE A 50 4.943 2.272 -7.336 1.00 0.00 C ATOM 762 O ILE A 50 3.736 2.046 -7.279 1.00 0.00 O ATOM 763 CB ILE A 50 5.130 2.958 -4.929 1.00 0.00 C ATOM 764 CG1 ILE A 50 5.772 3.980 -3.982 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.482 1.539 -4.507 1.00 0.00 C ATOM 766 CD1 ILE A 50 5.300 3.868 -2.553 1.00 0.00 C ATOM 0 H ILE A 50 4.370 4.913 -6.574 1.00 0.00 H new ATOM 0 HA ILE A 50 6.678 3.078 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 50 4.046 3.059 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.855 3.855 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.558 4.984 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.141 1.368 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.995 0.829 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.562 1.402 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.798 4.623 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.222 4.023 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.538 2.877 -2.168 1.00 0.00 H new ATOM 778 N GLN A 51 5.740 1.746 -8.251 1.00 0.00 N ATOM 779 CA GLN A 51 5.248 0.791 -9.212 1.00 0.00 C ATOM 780 C GLN A 51 5.221 -0.594 -8.590 1.00 0.00 C ATOM 781 O GLN A 51 6.259 -1.126 -8.194 1.00 0.00 O ATOM 782 CB GLN A 51 6.114 0.798 -10.468 1.00 0.00 C ATOM 783 CG GLN A 51 6.025 2.090 -11.262 1.00 0.00 C ATOM 784 CD GLN A 51 6.769 2.023 -12.582 1.00 0.00 C ATOM 785 OE1 GLN A 51 7.766 1.313 -12.718 1.00 0.00 O ATOM 786 NE2 GLN A 51 6.283 2.759 -13.566 1.00 0.00 N ATOM 0 H GLN A 51 6.731 1.969 -8.343 1.00 0.00 H new ATOM 0 HA GLN A 51 4.234 1.070 -9.500 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.152 0.627 -10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.818 -0.033 -11.108 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.977 2.322 -11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.429 2.907 -10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.455 3.334 -13.412 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.736 2.752 -14.480 1.00 0.00 H new ATOM 795 N VAL A 52 4.031 -1.155 -8.477 1.00 0.00 N ATOM 796 CA VAL A 52 3.849 -2.475 -7.904 1.00 0.00 C ATOM 797 C VAL A 52 2.850 -3.268 -8.730 1.00 0.00 C ATOM 798 O VAL A 52 2.233 -2.733 -9.647 1.00 0.00 O ATOM 799 CB VAL A 52 3.354 -2.415 -6.441 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.403 -1.792 -5.534 1.00 0.00 C ATOM 801 CG2 VAL A 52 2.038 -1.657 -6.344 1.00 0.00 C ATOM 0 H VAL A 52 3.165 -0.709 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 52 4.823 -2.963 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 52 3.183 -3.437 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.028 -1.762 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.315 -2.388 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.619 -0.778 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.710 -1.628 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.177 -0.639 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.283 -2.160 -6.949 1.00 0.00 H new ATOM 811 N GLU A 53 2.702 -4.538 -8.414 1.00 0.00 N ATOM 812 CA GLU A 53 1.720 -5.381 -9.072 1.00 0.00 C ATOM 813 C GLU A 53 0.796 -5.975 -8.020 1.00 0.00 C ATOM 814 O GLU A 53 1.257 -6.625 -7.082 1.00 0.00 O ATOM 815 CB GLU A 53 2.418 -6.482 -9.873 1.00 0.00 C ATOM 816 CG GLU A 53 1.475 -7.347 -10.692 1.00 0.00 C ATOM 817 CD GLU A 53 2.210 -8.344 -11.561 1.00 0.00 C ATOM 818 OE1 GLU A 53 2.749 -9.328 -11.015 1.00 0.00 O ATOM 819 OE2 GLU A 53 2.243 -8.157 -12.794 1.00 0.00 O ATOM 0 H GLU A 53 3.253 -5.014 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 53 1.130 -4.786 -9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.146 -6.023 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.974 -7.120 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.802 -7.881 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.856 -6.708 -11.322 1.00 0.00 H new ATOM 826 N THR A 54 -0.500 -5.734 -8.168 1.00 0.00 N ATOM 827 CA THR A 54 -1.466 -6.121 -7.150 1.00 0.00 C ATOM 828 C THR A 54 -1.914 -7.569 -7.316 1.00 0.00 C ATOM 829 O THR A 54 -2.232 -8.245 -6.336 1.00 0.00 O ATOM 830 CB THR A 54 -2.693 -5.183 -7.171 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.084 -4.911 -8.524 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.387 -3.876 -6.459 1.00 0.00 C ATOM 0 H THR A 54 -0.906 -5.273 -8.982 1.00 0.00 H new ATOM 0 HA THR A 54 -0.967 -6.031 -6.185 1.00 0.00 H new ATOM 0 HB THR A 54 -3.510 -5.683 -6.650 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.864 -4.317 -8.526 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.266 -3.232 -6.487 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.120 -4.080 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.556 -3.377 -6.956 1.00 0.00 H new ATOM 840 N ARG A 55 -1.933 -8.047 -8.556 1.00 0.00 N ATOM 841 CA ARG A 55 -2.333 -9.419 -8.843 1.00 0.00 C ATOM 842 C ARG A 55 -2.128 -9.747 -10.317 1.00 0.00 C ATOM 843 O ARG A 55 -1.592 -10.801 -10.661 1.00 0.00 O ATOM 844 CB ARG A 55 -3.803 -9.647 -8.463 1.00 0.00 C ATOM 845 CG ARG A 55 -4.253 -11.095 -8.599 1.00 0.00 C ATOM 846 CD ARG A 55 -5.676 -11.291 -8.098 1.00 0.00 C ATOM 847 NE ARG A 55 -6.661 -10.586 -8.922 1.00 0.00 N ATOM 848 CZ ARG A 55 -7.666 -9.862 -8.424 1.00 0.00 C ATOM 849 NH1 ARG A 55 -7.791 -9.703 -7.114 1.00 0.00 N ATOM 850 NH2 ARG A 55 -8.545 -9.287 -9.232 1.00 0.00 N ATOM 0 H ARG A 55 -1.675 -7.503 -9.379 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.705 -10.080 -8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.957 -9.323 -7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.433 -9.019 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.190 -11.399 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.577 -11.740 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.911 -12.355 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.748 -10.938 -7.069 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.574 -10.652 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.117 -10.135 -6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.561 -9.149 -6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.457 -9.396 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.310 -8.735 -8.844 1.00 0.00 H new ATOM 864 N GLN A 56 -2.561 -8.840 -11.182 1.00 0.00 N ATOM 865 CA GLN A 56 -2.520 -9.077 -12.619 1.00 0.00 C ATOM 866 C GLN A 56 -1.972 -7.868 -13.377 1.00 0.00 C ATOM 867 O GLN A 56 -1.406 -8.015 -14.459 1.00 0.00 O ATOM 868 CB GLN A 56 -3.925 -9.413 -13.118 1.00 0.00 C ATOM 869 CG GLN A 56 -4.474 -10.712 -12.550 1.00 0.00 C ATOM 870 CD GLN A 56 -5.976 -10.840 -12.702 1.00 0.00 C ATOM 871 OE1 GLN A 56 -6.638 -11.487 -11.888 1.00 0.00 O ATOM 872 NE2 GLN A 56 -6.531 -10.219 -13.732 1.00 0.00 N ATOM 0 H GLN A 56 -2.945 -7.934 -10.914 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.848 -9.914 -12.806 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.600 -8.598 -12.857 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.910 -9.479 -14.206 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.992 -11.552 -13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.215 -10.778 -11.493 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.949 -9.693 -14.384 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.540 -10.267 -13.873 1.00 0.00 H new ATOM 881 N THR A 57 -2.135 -6.678 -12.817 1.00 0.00 N ATOM 882 CA THR A 57 -1.705 -5.466 -13.494 1.00 0.00 C ATOM 883 C THR A 57 -0.772 -4.646 -12.608 1.00 0.00 C ATOM 884 O THR A 57 -0.734 -4.830 -11.385 1.00 0.00 O ATOM 885 CB THR A 57 -2.918 -4.605 -13.927 1.00 0.00 C ATOM 886 OG1 THR A 57 -2.482 -3.442 -14.649 1.00 0.00 O ATOM 887 CG2 THR A 57 -3.742 -4.177 -12.720 1.00 0.00 C ATOM 0 H THR A 57 -2.559 -6.527 -11.902 1.00 0.00 H new ATOM 0 HA THR A 57 -1.160 -5.768 -14.388 1.00 0.00 H new ATOM 0 HB THR A 57 -3.542 -5.217 -14.579 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.261 -2.911 -14.916 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.587 -3.574 -13.052 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.109 -5.061 -12.198 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.120 -3.590 -12.045 1.00 0.00 H new ATOM 895 N SER A 58 -0.013 -3.754 -13.232 1.00 0.00 N ATOM 896 CA SER A 58 0.890 -2.872 -12.513 1.00 0.00 C ATOM 897 C SER A 58 0.148 -1.620 -12.047 1.00 0.00 C ATOM 898 O SER A 58 -0.726 -1.105 -12.750 1.00 0.00 O ATOM 899 CB SER A 58 2.068 -2.484 -13.409 1.00 0.00 C ATOM 900 OG SER A 58 2.690 -3.633 -13.964 1.00 0.00 O ATOM 0 H SER A 58 -0.007 -3.624 -14.244 1.00 0.00 H new ATOM 0 HA SER A 58 1.271 -3.398 -11.637 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.720 -1.833 -14.211 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.797 -1.916 -12.831 1.00 0.00 H new ATOM 0 HG SER A 58 3.438 -3.357 -14.534 1.00 0.00 H new ATOM 906 N LEU A 59 0.496 -1.146 -10.863 1.00 0.00 N ATOM 907 CA LEU A 59 -0.147 0.020 -10.282 1.00 0.00 C ATOM 908 C LEU A 59 0.893 0.922 -9.635 1.00 0.00 C ATOM 909 O LEU A 59 1.892 0.446 -9.103 1.00 0.00 O ATOM 910 CB LEU A 59 -1.213 -0.431 -9.270 1.00 0.00 C ATOM 911 CG LEU A 59 -2.034 0.679 -8.599 1.00 0.00 C ATOM 912 CD1 LEU A 59 -3.430 0.173 -8.269 1.00 0.00 C ATOM 913 CD2 LEU A 59 -1.352 1.163 -7.327 1.00 0.00 C ATOM 0 H LEU A 59 1.227 -1.555 -10.281 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.642 0.595 -11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.902 -1.105 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.719 -1.009 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.108 1.514 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.003 0.969 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.931 -0.136 -9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.358 -0.677 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.952 1.949 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.250 0.331 -6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.365 1.555 -7.570 1.00 0.00 H new ATOM 925 N ALA A 60 0.658 2.222 -9.711 1.00 0.00 N ATOM 926 CA ALA A 60 1.553 3.205 -9.121 1.00 0.00 C ATOM 927 C ALA A 60 0.805 4.065 -8.108 1.00 0.00 C ATOM 928 O ALA A 60 -0.364 4.397 -8.305 1.00 0.00 O ATOM 929 CB ALA A 60 2.172 4.073 -10.203 1.00 0.00 C ATOM 0 H ALA A 60 -0.153 2.624 -10.180 1.00 0.00 H new ATOM 0 HA ALA A 60 2.353 2.678 -8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.839 4.804 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.738 3.447 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.384 4.592 -10.748 1.00 0.00 H new ATOM 935 N LEU A 61 1.486 4.424 -7.032 1.00 0.00 N ATOM 936 CA LEU A 61 0.884 5.221 -5.974 1.00 0.00 C ATOM 937 C LEU A 61 1.961 6.056 -5.297 1.00 0.00 C ATOM 938 O LEU A 61 3.136 5.956 -5.654 1.00 0.00 O ATOM 939 CB LEU A 61 0.135 4.328 -4.965 1.00 0.00 C ATOM 940 CG LEU A 61 0.897 3.111 -4.433 1.00 0.00 C ATOM 941 CD1 LEU A 61 1.840 3.502 -3.307 1.00 0.00 C ATOM 942 CD2 LEU A 61 -0.076 2.042 -3.962 1.00 0.00 C ATOM 0 H LEU A 61 2.461 4.175 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 61 0.144 5.894 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.158 4.945 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.783 3.977 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 61 1.497 2.706 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.367 2.617 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.562 4.231 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.268 3.939 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.481 1.183 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.702 2.445 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.705 1.730 -4.795 1.00 0.00 H new ATOM 954 N ARG A 62 1.574 6.896 -4.353 1.00 0.00 N ATOM 955 CA ARG A 62 2.532 7.765 -3.695 1.00 0.00 C ATOM 956 C ARG A 62 3.013 7.178 -2.386 1.00 0.00 C ATOM 957 O ARG A 62 2.335 6.362 -1.759 1.00 0.00 O ATOM 958 CB ARG A 62 1.941 9.148 -3.446 1.00 0.00 C ATOM 959 CG ARG A 62 1.815 10.010 -4.693 1.00 0.00 C ATOM 960 CD ARG A 62 0.850 9.416 -5.709 1.00 0.00 C ATOM 961 NE ARG A 62 0.634 10.282 -6.874 1.00 0.00 N ATOM 962 CZ ARG A 62 1.451 10.353 -7.931 1.00 0.00 C ATOM 963 NH1 ARG A 62 2.620 9.726 -7.926 1.00 0.00 N ATOM 964 NH2 ARG A 62 1.103 11.070 -8.994 1.00 0.00 N ATOM 0 H ARG A 62 0.612 6.994 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 62 3.385 7.858 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.954 9.033 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.563 9.670 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.475 11.006 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.797 10.127 -5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.234 8.453 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.107 9.225 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.198 10.872 -6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.904 9.183 -7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.235 9.787 -8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.212 11.567 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.727 11.124 -9.799 1.00 0.00 H new ATOM 978 N ARG A 63 4.188 7.614 -1.982 1.00 0.00 N ATOM 979 CA ARG A 63 4.790 7.158 -0.728 1.00 0.00 C ATOM 980 C ARG A 63 3.959 7.611 0.462 1.00 0.00 C ATOM 981 O ARG A 63 3.877 6.919 1.476 1.00 0.00 O ATOM 982 CB ARG A 63 6.230 7.657 -0.584 1.00 0.00 C ATOM 983 CG ARG A 63 6.365 9.165 -0.501 1.00 0.00 C ATOM 984 CD ARG A 63 7.819 9.578 -0.354 1.00 0.00 C ATOM 985 NE ARG A 63 7.990 11.021 -0.492 1.00 0.00 N ATOM 986 CZ ARG A 63 8.295 11.619 -1.643 1.00 0.00 C ATOM 987 NH1 ARG A 63 8.495 10.890 -2.735 1.00 0.00 N ATOM 988 NH2 ARG A 63 8.424 12.941 -1.702 1.00 0.00 N ATOM 0 H ARG A 63 4.754 8.286 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 63 4.810 6.068 -0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.667 7.215 0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.812 7.298 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.943 9.621 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.790 9.538 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.190 9.260 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.420 9.067 -1.107 1.00 0.00 H new ATOM 0 HE ARG A 63 7.870 11.603 0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.415 9.874 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.729 11.346 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.289 13.505 -0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.658 13.392 -2.587 1.00 0.00 H new ATOM 1002 N LYS A 64 3.354 8.786 0.328 1.00 0.00 N ATOM 1003 CA LYS A 64 2.469 9.329 1.352 1.00 0.00 C ATOM 1004 C LYS A 64 1.352 8.333 1.670 1.00 0.00 C ATOM 1005 O LYS A 64 1.033 8.093 2.834 1.00 0.00 O ATOM 1006 CB LYS A 64 1.868 10.650 0.868 1.00 0.00 C ATOM 1007 CG LYS A 64 1.120 11.421 1.941 1.00 0.00 C ATOM 1008 CD LYS A 64 0.433 12.638 1.349 1.00 0.00 C ATOM 1009 CE LYS A 64 -0.185 13.522 2.421 1.00 0.00 C ATOM 1010 NZ LYS A 64 -1.002 14.613 1.825 1.00 0.00 N ATOM 0 H LYS A 64 3.462 9.386 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 64 3.046 9.508 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.667 11.278 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.188 10.446 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.381 10.773 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.814 11.733 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.155 13.217 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.342 12.314 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.809 12.916 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.604 13.952 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.408 15.197 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.400 15.205 1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.769 14.201 1.256 1.00 0.00 H new ATOM 1024 N ASP A 65 0.781 7.749 0.621 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.262 6.741 0.761 1.00 0.00 C ATOM 1026 C ASP A 65 0.307 5.463 1.360 1.00 0.00 C ATOM 1027 O ASP A 65 -0.323 4.824 2.202 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.887 6.440 -0.606 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.641 7.622 -1.184 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.994 8.501 -1.794 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -2.882 7.671 -1.056 1.00 0.00 O ATOM 0 H ASP A 65 1.028 7.961 -0.346 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.030 7.129 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.102 6.141 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.567 5.593 -0.510 1.00 0.00 H new ATOM 1036 N LEU A 66 1.513 5.105 0.936 1.00 0.00 N ATOM 1037 CA LEU A 66 2.166 3.895 1.425 1.00 0.00 C ATOM 1038 C LEU A 66 2.482 4.008 2.913 1.00 0.00 C ATOM 1039 O LEU A 66 2.527 3.009 3.625 1.00 0.00 O ATOM 1040 CB LEU A 66 3.456 3.624 0.654 1.00 0.00 C ATOM 1041 CG LEU A 66 4.055 2.240 0.892 1.00 0.00 C ATOM 1042 CD1 LEU A 66 3.205 1.176 0.217 1.00 0.00 C ATOM 1043 CD2 LEU A 66 5.492 2.177 0.400 1.00 0.00 C ATOM 0 H LEU A 66 2.059 5.634 0.256 1.00 0.00 H new ATOM 0 HA LEU A 66 1.476 3.066 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.260 3.743 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.194 4.378 0.928 1.00 0.00 H new ATOM 0 HG LEU A 66 4.062 2.048 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.643 0.194 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.195 1.203 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.166 1.368 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.895 1.181 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.521 2.391 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.092 2.914 0.934 1.00 0.00 H new ATOM 1055 N ALA A 67 2.703 5.232 3.373 1.00 0.00 N ATOM 1056 CA ALA A 67 2.993 5.487 4.779 1.00 0.00 C ATOM 1057 C ALA A 67 1.764 5.217 5.645 1.00 0.00 C ATOM 1058 O ALA A 67 1.868 5.090 6.867 1.00 0.00 O ATOM 1059 CB ALA A 67 3.478 6.917 4.971 1.00 0.00 C ATOM 0 H ALA A 67 2.687 6.069 2.790 1.00 0.00 H new ATOM 0 HA ALA A 67 3.785 4.807 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.690 7.091 6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.385 7.075 4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.707 7.611 4.637 1.00 0.00 H new ATOM 1065 N LEU A 68 0.607 5.133 5.004 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.636 4.845 5.702 1.00 0.00 C ATOM 1067 C LEU A 68 -0.972 3.360 5.614 1.00 0.00 C ATOM 1068 O LEU A 68 -1.951 2.898 6.199 1.00 0.00 O ATOM 1069 CB LEU A 68 -1.779 5.685 5.130 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.600 7.199 5.261 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.775 7.930 4.632 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -1.449 7.593 6.722 1.00 0.00 C ATOM 0 H LEU A 68 0.504 5.261 3.997 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.506 5.106 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.898 5.439 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.705 5.400 5.630 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.692 7.486 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.631 9.006 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.841 7.671 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.697 7.638 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.323 8.673 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.340 7.293 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.576 7.096 7.145 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.155 2.620 4.881 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.342 1.184 4.731 1.00 0.00 C ATOM 1086 C LEU A 69 0.764 0.432 5.461 1.00 0.00 C ATOM 1087 O LEU A 69 1.944 0.736 5.286 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.329 0.798 3.248 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.418 1.450 2.393 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.215 1.113 0.927 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -2.796 1.003 2.854 1.00 0.00 C ATOM 0 H LEU A 69 0.650 2.993 4.377 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.306 0.915 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.643 1.059 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.429 -0.285 3.170 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.348 2.531 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.998 1.585 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.242 1.480 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.259 0.032 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.558 1.476 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.876 -0.080 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.943 1.292 3.895 1.00 0.00 H new ATOM 1103 N THR A 70 0.395 -0.537 6.283 1.00 0.00 N ATOM 1104 CA THR A 70 1.387 -1.343 6.971 1.00 0.00 C ATOM 1105 C THR A 70 1.715 -2.587 6.160 1.00 0.00 C ATOM 1106 O THR A 70 0.860 -3.446 5.928 1.00 0.00 O ATOM 1107 CB THR A 70 0.921 -1.753 8.371 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.519 -0.590 9.108 1.00 0.00 O ATOM 1109 CG2 THR A 70 2.031 -2.475 9.123 1.00 0.00 C ATOM 0 H THR A 70 -0.574 -0.782 6.488 1.00 0.00 H new ATOM 0 HA THR A 70 2.281 -0.729 7.079 1.00 0.00 H new ATOM 0 HB THR A 70 0.075 -2.432 8.266 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.220 -0.857 10.002 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.676 -2.756 10.114 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.320 -3.371 8.574 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.893 -1.815 9.220 1.00 0.00 H new ATOM 1117 N LEU A 71 2.960 -2.668 5.733 1.00 0.00 N ATOM 1118 CA LEU A 71 3.417 -3.754 4.882 1.00 0.00 C ATOM 1119 C LEU A 71 4.331 -4.700 5.645 1.00 0.00 C ATOM 1120 O LEU A 71 5.106 -4.273 6.507 1.00 0.00 O ATOM 1121 CB LEU A 71 4.189 -3.210 3.675 1.00 0.00 C ATOM 1122 CG LEU A 71 3.449 -2.198 2.807 1.00 0.00 C ATOM 1123 CD1 LEU A 71 4.356 -1.704 1.694 1.00 0.00 C ATOM 1124 CD2 LEU A 71 2.182 -2.805 2.231 1.00 0.00 C ATOM 0 H LEU A 71 3.683 -1.986 5.964 1.00 0.00 H new ATOM 0 HA LEU A 71 2.531 -4.292 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.107 -2.746 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.482 -4.052 3.047 1.00 0.00 H new ATOM 0 HG LEU A 71 3.164 -1.351 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.818 -0.982 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.236 -1.228 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.666 -2.547 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.671 -2.065 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.438 -3.670 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.526 -3.116 3.044 1.00 0.00 H new ATOM 1136 N VAL A 72 4.233 -5.977 5.320 1.00 0.00 N ATOM 1137 CA VAL A 72 5.161 -6.980 5.811 1.00 0.00 C ATOM 1138 C VAL A 72 5.634 -7.850 4.648 1.00 0.00 C ATOM 1139 O VAL A 72 4.830 -8.488 3.970 1.00 0.00 O ATOM 1140 CB VAL A 72 4.544 -7.867 6.919 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.344 -7.066 8.195 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.225 -8.475 6.460 1.00 0.00 C ATOM 0 H VAL A 72 3.507 -6.348 4.707 1.00 0.00 H new ATOM 0 HA VAL A 72 6.006 -6.455 6.256 1.00 0.00 H new ATOM 0 HB VAL A 72 5.239 -8.681 7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.909 -7.707 8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.306 -6.687 8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.673 -6.229 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.813 -9.094 7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.522 -7.678 6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.396 -9.089 5.576 1.00 0.00 H new ATOM 1152 N PRO A 73 6.943 -7.864 4.372 1.00 0.00 N ATOM 1153 CA PRO A 73 7.497 -8.632 3.255 1.00 0.00 C ATOM 1154 C PRO A 73 7.287 -10.136 3.425 1.00 0.00 C ATOM 1155 O PRO A 73 6.986 -10.614 4.526 1.00 0.00 O ATOM 1156 CB PRO A 73 8.997 -8.300 3.288 1.00 0.00 C ATOM 1157 CG PRO A 73 9.117 -7.077 4.134 1.00 0.00 C ATOM 1158 CD PRO A 73 7.982 -7.135 5.112 1.00 0.00 C ATOM 0 HA PRO A 73 7.013 -8.376 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.572 -9.125 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.381 -8.122 2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.076 -7.053 4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.061 -6.175 3.525 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.265 -7.655 6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.647 -6.139 5.401 1.00 0.00 H new ATOM 1166 N LEU A 74 7.435 -10.876 2.332 1.00 0.00 N ATOM 1167 CA LEU A 74 7.404 -12.330 2.385 1.00 0.00 C ATOM 1168 C LEU A 74 8.597 -12.857 3.175 1.00 0.00 C ATOM 1169 O LEU A 74 8.512 -13.900 3.823 1.00 0.00 O ATOM 1170 CB LEU A 74 7.412 -12.917 0.973 1.00 0.00 C ATOM 1171 CG LEU A 74 6.143 -12.674 0.154 1.00 0.00 C ATOM 1172 CD1 LEU A 74 6.257 -13.356 -1.198 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.918 -13.184 0.901 1.00 0.00 C ATOM 0 H LEU A 74 7.578 -10.491 1.398 1.00 0.00 H new ATOM 0 HA LEU A 74 6.486 -12.636 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.260 -12.500 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.577 -13.992 1.046 1.00 0.00 H new ATOM 0 HG LEU A 74 6.029 -11.601 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.349 -13.177 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.114 -12.953 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.390 -14.428 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.025 -13.002 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.022 -14.254 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.829 -12.661 1.853 1.00 0.00 H new ATOM 1185 N ASP A 75 9.693 -12.113 3.120 1.00 0.00 N ATOM 1186 CA ASP A 75 10.914 -12.454 3.844 1.00 0.00 C ATOM 1187 C ASP A 75 10.651 -12.530 5.339 1.00 0.00 C ATOM 1188 O ASP A 75 10.616 -13.653 5.888 1.00 0.00 O ATOM 1189 CB ASP A 75 12.007 -11.415 3.567 1.00 0.00 C ATOM 1190 CG ASP A 75 12.435 -11.395 2.117 1.00 0.00 C ATOM 1191 OD1 ASP A 75 11.645 -10.948 1.261 1.00 0.00 O ATOM 1192 OD2 ASP A 75 13.571 -11.822 1.823 1.00 0.00 O ATOM 1193 OXT ASP A 75 10.467 -11.465 5.964 1.00 0.00 O ATOM 0 H ASP A 75 9.763 -11.255 2.572 1.00 0.00 H new ATOM 0 HA ASP A 75 11.250 -13.431 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.644 -10.427 3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.872 -11.627 4.195 1.00 0.00 H new