USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 669 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.799 K(o=-0.8,f=-0.14) USER MOD Single : A 17 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-1.8) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 55 ASN : amide:sc= -3.29 K(o=-3.3,f=-5!) USER MOD Single : A 57 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.9!) USER MOD Single : A 58 SER OG : rot 35:sc= 0.191 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -8.41! C(o=-8.4!,f=-9.6!) USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=-0.0052) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= -0.942 (180deg=-2.48!) USER MOD Single : A 82 THR OG1 : rot 9:sc= 0.414 USER MOD Single : A 83 MET CE :methyl 178:sc= -3.8! (180deg=-4.1!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -4.367 6.140 -11.062 1.00 0.00 N ATOM 67 CA VAL A 8 -3.704 5.534 -9.914 1.00 0.00 C ATOM 68 C VAL A 8 -4.374 5.950 -8.609 1.00 0.00 C ATOM 69 O VAL A 8 -4.504 7.139 -8.315 1.00 0.00 O ATOM 70 CB VAL A 8 -2.214 5.921 -9.858 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.542 5.286 -8.650 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.510 5.515 -11.144 1.00 0.00 C ATOM 0 HA VAL A 8 -3.788 4.454 -10.034 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.141 7.004 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.490 5.571 -8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.031 5.631 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.623 4.201 -8.717 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.458 5.796 -11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.591 4.436 -11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.976 6.022 -11.989 1.00 0.00 H new ATOM 82 N THR A 9 -4.800 4.962 -7.828 1.00 0.00 N ATOM 83 CA THR A 9 -5.458 5.224 -6.555 1.00 0.00 C ATOM 84 C THR A 9 -4.439 5.391 -5.433 1.00 0.00 C ATOM 85 O THR A 9 -3.602 4.516 -5.204 1.00 0.00 O ATOM 86 CB THR A 9 -6.433 4.090 -6.183 1.00 0.00 C ATOM 87 OG1 THR A 9 -7.390 3.904 -7.231 1.00 0.00 O ATOM 88 CG2 THR A 9 -7.154 4.403 -4.880 1.00 0.00 C ATOM 0 H THR A 9 -4.701 3.973 -8.056 1.00 0.00 H new ATOM 0 HA THR A 9 -6.018 6.151 -6.674 1.00 0.00 H new ATOM 0 HB THR A 9 -5.858 3.174 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.005 3.181 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.837 3.589 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.424 4.516 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.718 5.329 -4.990 1.00 0.00 H new ATOM 96 N THR A 10 -4.514 6.519 -4.735 1.00 0.00 N ATOM 97 CA THR A 10 -3.598 6.801 -3.637 1.00 0.00 C ATOM 98 C THR A 10 -4.321 6.769 -2.295 1.00 0.00 C ATOM 99 O THR A 10 -5.468 7.204 -2.187 1.00 0.00 O ATOM 100 CB THR A 10 -2.920 8.173 -3.809 1.00 0.00 C ATOM 101 OG1 THR A 10 -2.328 8.267 -5.109 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.855 8.389 -2.744 1.00 0.00 C ATOM 0 H THR A 10 -5.200 7.253 -4.911 1.00 0.00 H new ATOM 0 HA THR A 10 -2.835 6.022 -3.654 1.00 0.00 H new ATOM 0 HB THR A 10 -3.681 8.946 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.900 9.143 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.391 9.365 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.314 8.346 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.096 7.611 -2.825 1.00 0.00 H new ATOM 110 N ALA A 11 -3.644 6.253 -1.275 1.00 0.00 N ATOM 111 CA ALA A 11 -4.222 6.167 0.060 1.00 0.00 C ATOM 112 C ALA A 11 -3.237 6.657 1.117 1.00 0.00 C ATOM 113 O ALA A 11 -2.024 6.632 0.907 1.00 0.00 O ATOM 114 CB ALA A 11 -4.652 4.738 0.359 1.00 0.00 C ATOM 0 H ALA A 11 -2.694 5.888 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.100 6.813 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.082 4.689 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.396 4.422 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.786 4.078 0.304 1.00 0.00 H new ATOM 120 N ILE A 12 -3.767 7.103 2.251 1.00 0.00 N ATOM 121 CA ILE A 12 -2.934 7.598 3.340 1.00 0.00 C ATOM 122 C ILE A 12 -3.281 6.908 4.655 1.00 0.00 C ATOM 123 O ILE A 12 -4.392 7.048 5.166 1.00 0.00 O ATOM 124 CB ILE A 12 -3.084 9.120 3.516 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.904 9.832 2.173 1.00 0.00 C ATOM 126 CG2 ILE A 12 -2.079 9.638 4.534 1.00 0.00 C ATOM 127 CD1 ILE A 12 -1.458 9.972 1.753 1.00 0.00 C ATOM 0 H ILE A 12 -4.769 7.132 2.439 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.901 7.371 3.076 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.088 9.330 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.446 9.282 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.354 10.823 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.198 10.716 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.250 9.151 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.068 9.419 4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.406 10.486 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.916 10.548 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.009 8.983 1.660 1.00 0.00 H new ATOM 139 N ILE A 13 -2.322 6.166 5.198 1.00 0.00 N ATOM 140 CA ILE A 13 -2.525 5.458 6.456 1.00 0.00 C ATOM 141 C ILE A 13 -1.893 6.212 7.620 1.00 0.00 C ATOM 142 O ILE A 13 -0.741 6.640 7.545 1.00 0.00 O ATOM 143 CB ILE A 13 -1.938 4.035 6.401 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.565 3.244 5.251 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.160 3.319 7.726 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.988 2.808 5.522 1.00 0.00 C ATOM 0 H ILE A 13 -1.397 6.039 4.787 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.602 5.393 6.611 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.865 4.108 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.546 3.855 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.955 2.363 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.740 2.315 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.671 3.874 8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.229 3.255 7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.368 2.253 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.011 2.171 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.612 3.686 5.691 1.00 0.00 H new ATOM 158 N HIS A 14 -2.655 6.371 8.699 1.00 0.00 N ATOM 159 CA HIS A 14 -2.168 7.072 9.882 1.00 0.00 C ATOM 160 C HIS A 14 -1.620 6.087 10.910 1.00 0.00 C ATOM 161 O HIS A 14 -2.379 5.463 11.652 1.00 0.00 O ATOM 162 CB HIS A 14 -3.289 7.905 10.503 1.00 0.00 C ATOM 163 CG HIS A 14 -3.388 9.290 9.942 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.209 9.574 8.605 1.00 0.00 N ATOM 165 CD2 HIS A 14 -3.652 10.473 10.545 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.356 10.873 8.410 1.00 0.00 C ATOM 167 NE2 HIS A 14 -3.626 11.441 9.572 1.00 0.00 N ATOM 0 H HIS A 14 -3.611 6.024 8.778 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.360 7.736 9.575 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.239 7.392 10.351 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.130 7.969 11.579 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.847 10.627 11.596 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.270 11.383 7.462 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.789 12.437 9.722 1.00 0.00 H new ATOM 175 N ARG A 15 -0.298 5.951 10.946 1.00 0.00 N ATOM 176 CA ARG A 15 0.351 5.041 11.882 1.00 0.00 C ATOM 177 C ARG A 15 1.051 5.814 12.995 1.00 0.00 C ATOM 178 O ARG A 15 2.252 6.080 12.940 1.00 0.00 O ATOM 179 CB ARG A 15 1.360 4.156 11.148 1.00 0.00 C ATOM 180 CG ARG A 15 0.716 3.116 10.247 1.00 0.00 C ATOM 181 CD ARG A 15 1.760 2.242 9.569 1.00 0.00 C ATOM 182 NE ARG A 15 2.380 1.306 10.503 1.00 0.00 N ATOM 183 CZ ARG A 15 2.995 0.190 10.126 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.072 -0.126 8.841 1.00 0.00 N ATOM 185 NH2 ARG A 15 3.535 -0.611 11.036 1.00 0.00 N ATOM 0 H ARG A 15 0.344 6.459 10.338 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.417 4.411 12.329 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.016 4.788 10.549 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.988 3.650 11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.043 2.491 10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.110 3.614 9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.294 1.687 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.529 2.874 9.125 1.00 0.00 H new ATOM 0 HE ARG A 15 2.339 1.521 11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.659 0.488 8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.545 -0.983 8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.478 -0.370 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.007 -1.467 10.746 1.00 0.00 H new ATOM 199 N PRO A 16 0.284 6.185 14.031 1.00 0.00 N ATOM 200 CA PRO A 16 0.809 6.932 15.178 1.00 0.00 C ATOM 201 C PRO A 16 1.740 6.089 16.042 1.00 0.00 C ATOM 202 O PRO A 16 2.656 6.612 16.678 1.00 0.00 O ATOM 203 CB PRO A 16 -0.450 7.312 15.961 1.00 0.00 C ATOM 204 CG PRO A 16 -1.454 6.276 15.589 1.00 0.00 C ATOM 205 CD PRO A 16 -1.155 5.902 14.164 1.00 0.00 C ATOM 0 HA PRO A 16 1.408 7.788 14.867 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.263 7.314 17.035 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.795 8.311 15.695 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.380 5.408 16.244 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.468 6.663 15.686 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.378 4.853 13.969 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.747 6.490 13.462 1.00 0.00 H new ATOM 213 N HIS A 17 1.500 4.782 16.061 1.00 0.00 N ATOM 214 CA HIS A 17 2.319 3.866 16.848 1.00 0.00 C ATOM 215 C HIS A 17 2.891 2.758 15.969 1.00 0.00 C ATOM 216 O HIS A 17 2.209 2.236 15.088 1.00 0.00 O ATOM 217 CB HIS A 17 1.494 3.258 17.983 1.00 0.00 C ATOM 218 CG HIS A 17 2.298 2.952 19.209 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.586 1.667 19.619 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.876 3.773 20.116 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.305 1.711 20.726 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.496 2.977 21.048 1.00 0.00 N ATOM 0 H HIS A 17 0.746 4.333 15.541 1.00 0.00 H new ATOM 0 HA HIS A 17 3.147 4.432 17.274 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.691 3.947 18.247 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.024 2.341 17.629 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.854 4.853 20.109 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.674 0.857 21.274 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.019 3.310 21.858 1.00 0.00 H new ATOM 230 N ALA A 18 4.148 2.403 16.215 1.00 0.00 N ATOM 231 CA ALA A 18 4.811 1.357 15.447 1.00 0.00 C ATOM 232 C ALA A 18 4.442 -0.027 15.972 1.00 0.00 C ATOM 233 O ALA A 18 4.393 -0.996 15.214 1.00 0.00 O ATOM 234 CB ALA A 18 6.320 1.551 15.483 1.00 0.00 C ATOM 0 H ALA A 18 4.728 2.825 16.941 1.00 0.00 H new ATOM 0 HA ALA A 18 4.471 1.429 14.414 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.802 0.762 14.905 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.572 2.521 15.054 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.668 1.509 16.515 1.00 0.00 H new ATOM 240 N ARG A 19 4.183 -0.112 17.273 1.00 0.00 N ATOM 241 CA ARG A 19 3.820 -1.377 17.898 1.00 0.00 C ATOM 242 C ARG A 19 2.328 -1.654 17.739 1.00 0.00 C ATOM 243 O ARG A 19 1.717 -2.317 18.577 1.00 0.00 O ATOM 244 CB ARG A 19 4.191 -1.362 19.382 1.00 0.00 C ATOM 245 CG ARG A 19 5.673 -1.139 19.637 1.00 0.00 C ATOM 246 CD ARG A 19 6.127 -1.822 20.918 1.00 0.00 C ATOM 247 NE ARG A 19 5.939 -3.269 20.863 1.00 0.00 N ATOM 248 CZ ARG A 19 6.616 -4.127 21.618 1.00 0.00 C ATOM 249 NH1 ARG A 19 7.520 -3.685 22.482 1.00 0.00 N ATOM 250 NH2 ARG A 19 6.388 -5.430 21.511 1.00 0.00 N ATOM 0 H ARG A 19 4.218 0.681 17.914 1.00 0.00 H new ATOM 0 HA ARG A 19 4.375 -2.172 17.399 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.623 -0.578 19.882 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.892 -2.309 19.832 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.250 -1.522 18.795 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.875 -0.070 19.702 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.179 -1.600 21.094 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.570 -1.416 21.762 1.00 0.00 H new ATOM 0 HE ARG A 19 5.250 -3.641 20.209 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.697 -2.684 22.568 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.038 -4.346 23.061 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.692 -5.773 20.849 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.908 -6.088 22.091 1.00 0.00 H new ATOM 264 N GLU A 20 1.748 -1.141 16.658 1.00 0.00 N ATOM 265 CA GLU A 20 0.327 -1.332 16.391 1.00 0.00 C ATOM 266 C GLU A 20 0.115 -2.051 15.062 1.00 0.00 C ATOM 267 O GLU A 20 0.778 -1.750 14.070 1.00 0.00 O ATOM 268 CB GLU A 20 -0.398 0.015 16.376 1.00 0.00 C ATOM 269 CG GLU A 20 -0.668 0.577 17.762 1.00 0.00 C ATOM 270 CD GLU A 20 -1.848 -0.090 18.441 1.00 0.00 C ATOM 271 OE1 GLU A 20 -1.705 -1.255 18.868 1.00 0.00 O ATOM 272 OE2 GLU A 20 -2.914 0.552 18.546 1.00 0.00 O ATOM 0 H GLU A 20 2.240 -0.591 15.954 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.086 -1.950 17.189 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.198 0.733 15.812 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.345 -0.098 15.848 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.221 0.452 18.380 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.855 1.648 17.686 1.00 0.00 H new ATOM 279 N GLN A 21 -0.812 -3.003 15.051 1.00 0.00 N ATOM 280 CA GLN A 21 -1.110 -3.765 13.845 1.00 0.00 C ATOM 281 C GLN A 21 -1.503 -2.839 12.699 1.00 0.00 C ATOM 282 O GLN A 21 -1.662 -1.633 12.888 1.00 0.00 O ATOM 283 CB GLN A 21 -2.234 -4.768 14.114 1.00 0.00 C ATOM 284 CG GLN A 21 -1.914 -5.756 15.225 1.00 0.00 C ATOM 285 CD GLN A 21 -0.905 -6.804 14.800 1.00 0.00 C ATOM 286 OE1 GLN A 21 -1.061 -7.448 13.762 1.00 0.00 O ATOM 287 NE2 GLN A 21 0.137 -6.982 15.603 1.00 0.00 N ATOM 0 H GLN A 21 -1.370 -3.265 15.864 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.210 -4.308 13.557 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.142 -4.223 14.374 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.445 -5.320 13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.528 -5.214 16.088 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.832 -6.249 15.543 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.226 -6.426 16.453 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.848 -7.675 15.369 1.00 0.00 H new ATOM 296 N LEU A 22 -1.658 -3.411 11.510 1.00 0.00 N ATOM 297 CA LEU A 22 -2.032 -2.636 10.331 1.00 0.00 C ATOM 298 C LEU A 22 -3.492 -2.878 9.962 1.00 0.00 C ATOM 299 O LEU A 22 -4.290 -1.944 9.898 1.00 0.00 O ATOM 300 CB LEU A 22 -1.129 -2.998 9.151 1.00 0.00 C ATOM 301 CG LEU A 22 0.147 -2.168 9.003 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.931 -2.608 7.777 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.188 -0.686 8.920 1.00 0.00 C ATOM 0 H LEU A 22 -1.531 -4.408 11.336 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.906 -1.579 10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.848 -4.047 9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.709 -2.903 8.233 1.00 0.00 H new ATOM 0 HG LEU A 22 0.768 -2.331 9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.835 -2.006 7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.203 -3.659 7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.318 -2.475 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.732 -0.110 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.829 -0.506 8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.707 -0.379 9.828 1.00 0.00 H new ATOM 315 N GLY A 23 -3.835 -4.140 9.721 1.00 0.00 N ATOM 316 CA GLY A 23 -5.199 -4.483 9.363 1.00 0.00 C ATOM 317 C GLY A 23 -5.308 -5.033 7.955 1.00 0.00 C ATOM 318 O GLY A 23 -6.077 -5.961 7.701 1.00 0.00 O ATOM 0 H GLY A 23 -3.192 -4.931 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.582 -5.220 10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.829 -3.598 9.454 1.00 0.00 H new ATOM 322 N PHE A 24 -4.539 -4.460 7.036 1.00 0.00 N ATOM 323 CA PHE A 24 -4.554 -4.897 5.645 1.00 0.00 C ATOM 324 C PHE A 24 -3.469 -5.939 5.390 1.00 0.00 C ATOM 325 O PHE A 24 -2.285 -5.688 5.622 1.00 0.00 O ATOM 326 CB PHE A 24 -4.359 -3.702 4.710 1.00 0.00 C ATOM 327 CG PHE A 24 -3.046 -2.998 4.904 1.00 0.00 C ATOM 328 CD1 PHE A 24 -1.923 -3.390 4.193 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.935 -1.945 5.797 1.00 0.00 C ATOM 330 CE1 PHE A 24 -0.714 -2.744 4.368 1.00 0.00 C ATOM 331 CE2 PHE A 24 -1.728 -1.295 5.976 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.616 -1.696 5.262 1.00 0.00 C ATOM 0 H PHE A 24 -3.897 -3.691 7.229 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.524 -5.352 5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.430 -4.043 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.170 -2.991 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.993 -4.210 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.801 -1.628 6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.153 -3.058 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.655 -0.474 6.674 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.328 -1.191 5.402 1.00 0.00 H new ATOM 342 N CYS A 25 -3.880 -7.109 4.913 1.00 0.00 N ATOM 343 CA CYS A 25 -2.944 -8.190 4.628 1.00 0.00 C ATOM 344 C CYS A 25 -2.377 -8.060 3.218 1.00 0.00 C ATOM 345 O CYS A 25 -3.114 -7.830 2.260 1.00 0.00 O ATOM 346 CB CYS A 25 -3.633 -9.545 4.791 1.00 0.00 C ATOM 347 SG CYS A 25 -2.495 -10.926 5.051 1.00 0.00 S ATOM 0 H CYS A 25 -4.855 -7.333 4.716 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.121 -8.122 5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.321 -9.491 5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.233 -9.745 3.903 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.172 -12.028 5.180 1.00 0.00 H new ATOM 353 N VAL A 26 -1.061 -8.208 3.100 1.00 0.00 N ATOM 354 CA VAL A 26 -0.394 -8.107 1.807 1.00 0.00 C ATOM 355 C VAL A 26 0.387 -9.378 1.491 1.00 0.00 C ATOM 356 O VAL A 26 0.961 -10.003 2.382 1.00 0.00 O ATOM 357 CB VAL A 26 0.566 -6.904 1.763 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.433 -6.957 0.515 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.213 -5.598 1.826 1.00 0.00 C ATOM 0 H VAL A 26 -0.436 -8.398 3.883 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.174 -7.967 1.059 1.00 0.00 H new ATOM 0 HB VAL A 26 1.221 -6.953 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.105 -6.099 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.019 -7.876 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.798 -6.934 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.481 -4.758 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.894 -5.539 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.785 -5.560 2.753 1.00 0.00 H new ATOM 369 N GLU A 27 0.404 -9.753 0.215 1.00 0.00 N ATOM 370 CA GLU A 27 1.114 -10.951 -0.218 1.00 0.00 C ATOM 371 C GLU A 27 1.757 -10.737 -1.586 1.00 0.00 C ATOM 372 O GLU A 27 1.076 -10.420 -2.561 1.00 0.00 O ATOM 373 CB GLU A 27 0.160 -12.146 -0.272 1.00 0.00 C ATOM 374 CG GLU A 27 -1.267 -11.769 -0.631 1.00 0.00 C ATOM 375 CD GLU A 27 -2.150 -12.980 -0.862 1.00 0.00 C ATOM 376 OE1 GLU A 27 -1.957 -13.668 -1.886 1.00 0.00 O ATOM 377 OE2 GLU A 27 -3.034 -13.239 -0.019 1.00 0.00 O ATOM 0 H GLU A 27 -0.065 -9.245 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 27 1.901 -11.157 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.532 -12.864 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.162 -12.646 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.691 -11.162 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.261 -11.152 -1.529 1.00 0.00 H new ATOM 384 N ASP A 28 3.072 -10.911 -1.648 1.00 0.00 N ATOM 385 CA ASP A 28 3.808 -10.738 -2.895 1.00 0.00 C ATOM 386 C ASP A 28 3.579 -9.345 -3.472 1.00 0.00 C ATOM 387 O ASP A 28 3.668 -9.140 -4.682 1.00 0.00 O ATOM 388 CB ASP A 28 3.388 -11.800 -3.912 1.00 0.00 C ATOM 389 CG ASP A 28 4.215 -13.066 -3.803 1.00 0.00 C ATOM 390 OD1 ASP A 28 5.326 -13.099 -4.372 1.00 0.00 O ATOM 391 OD2 ASP A 28 3.752 -14.024 -3.148 1.00 0.00 O ATOM 0 H ASP A 28 3.651 -11.172 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 28 4.870 -10.853 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.336 -12.043 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.484 -11.393 -4.919 1.00 0.00 H new ATOM 396 N GLY A 29 3.283 -8.388 -2.597 1.00 0.00 N ATOM 397 CA GLY A 29 3.044 -7.027 -3.039 1.00 0.00 C ATOM 398 C GLY A 29 1.616 -6.808 -3.497 1.00 0.00 C ATOM 399 O GLY A 29 1.338 -5.888 -4.267 1.00 0.00 O ATOM 0 H GLY A 29 3.205 -8.532 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.271 -6.339 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.725 -6.789 -3.856 1.00 0.00 H new ATOM 403 N ILE A 30 0.708 -7.655 -3.024 1.00 0.00 N ATOM 404 CA ILE A 30 -0.699 -7.549 -3.390 1.00 0.00 C ATOM 405 C ILE A 30 -1.601 -7.800 -2.187 1.00 0.00 C ATOM 406 O ILE A 30 -1.549 -8.865 -1.571 1.00 0.00 O ATOM 407 CB ILE A 30 -1.065 -8.543 -4.508 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.353 -8.167 -5.809 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.573 -8.577 -4.714 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.606 -9.140 -6.939 1.00 0.00 C ATOM 0 H ILE A 30 0.922 -8.422 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.855 -6.533 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.736 -9.538 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.677 -7.173 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.720 -8.109 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.816 -9.284 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.060 -8.888 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.925 -7.584 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.070 -8.811 -7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.256 -10.131 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.674 -9.180 -7.152 1.00 0.00 H new ATOM 422 N ILE A 31 -2.428 -6.813 -1.858 1.00 0.00 N ATOM 423 CA ILE A 31 -3.343 -6.927 -0.730 1.00 0.00 C ATOM 424 C ILE A 31 -4.424 -7.969 -1.003 1.00 0.00 C ATOM 425 O ILE A 31 -4.900 -8.103 -2.131 1.00 0.00 O ATOM 426 CB ILE A 31 -4.015 -5.579 -0.411 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.967 -4.555 0.031 1.00 0.00 C ATOM 428 CG2 ILE A 31 -5.076 -5.757 0.665 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.370 -3.122 -0.241 1.00 0.00 C ATOM 0 H ILE A 31 -2.483 -5.925 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.748 -7.239 0.129 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.500 -5.209 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.781 -4.675 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.028 -4.764 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.542 -4.795 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.834 -6.458 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.613 -6.146 1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.580 -2.451 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.528 -2.985 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.292 -2.896 0.294 1.00 0.00 H new ATOM 441 N CYS A 32 -4.808 -8.701 0.037 1.00 0.00 N ATOM 442 CA CYS A 32 -5.834 -9.730 -0.090 1.00 0.00 C ATOM 443 C CYS A 32 -7.047 -9.397 0.773 1.00 0.00 C ATOM 444 O CYS A 32 -8.158 -9.245 0.266 1.00 0.00 O ATOM 445 CB CYS A 32 -5.269 -11.094 0.308 1.00 0.00 C ATOM 446 SG CYS A 32 -6.395 -12.476 0.006 1.00 0.00 S ATOM 0 H CYS A 32 -4.425 -8.601 0.977 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.151 -9.766 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.344 -11.266 -0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.012 -11.074 1.367 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.827 -13.586 0.373 1.00 0.00 H new ATOM 452 N SER A 33 -6.826 -9.286 2.078 1.00 0.00 N ATOM 453 CA SER A 33 -7.902 -8.976 3.012 1.00 0.00 C ATOM 454 C SER A 33 -7.655 -7.638 3.702 1.00 0.00 C ATOM 455 O SER A 33 -6.534 -7.128 3.710 1.00 0.00 O ATOM 456 CB SER A 33 -8.033 -10.085 4.058 1.00 0.00 C ATOM 457 OG SER A 33 -8.786 -11.175 3.555 1.00 0.00 O ATOM 0 H SER A 33 -5.911 -9.406 2.513 1.00 0.00 H new ATOM 0 HA SER A 33 -8.831 -8.907 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.042 -10.429 4.353 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.513 -9.690 4.953 1.00 0.00 H new ATOM 0 HG SER A 33 -8.854 -11.871 4.242 1.00 0.00 H new ATOM 463 N LEU A 34 -8.710 -7.074 4.279 1.00 0.00 N ATOM 464 CA LEU A 34 -8.610 -5.794 4.972 1.00 0.00 C ATOM 465 C LEU A 34 -9.351 -5.836 6.304 1.00 0.00 C ATOM 466 O LEU A 34 -10.499 -6.279 6.375 1.00 0.00 O ATOM 467 CB LEU A 34 -9.174 -4.673 4.097 1.00 0.00 C ATOM 468 CG LEU A 34 -8.637 -3.269 4.377 1.00 0.00 C ATOM 469 CD1 LEU A 34 -9.039 -2.311 3.266 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.136 -2.765 5.724 1.00 0.00 C ATOM 0 H LEU A 34 -9.645 -7.483 4.281 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.556 -5.598 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.972 -4.917 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.257 -4.656 4.216 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.549 -3.318 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.648 -1.317 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.632 -2.662 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.126 -2.266 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.744 -1.765 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.225 -2.732 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.797 -3.437 6.512 1.00 0.00 H new ATOM 482 N LEU A 35 -8.690 -5.372 7.358 1.00 0.00 N ATOM 483 CA LEU A 35 -9.287 -5.354 8.689 1.00 0.00 C ATOM 484 C LEU A 35 -10.405 -4.320 8.771 1.00 0.00 C ATOM 485 O LEU A 35 -10.149 -3.127 8.930 1.00 0.00 O ATOM 486 CB LEU A 35 -8.220 -5.054 9.744 1.00 0.00 C ATOM 487 CG LEU A 35 -8.695 -5.052 11.197 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.805 -6.474 11.725 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.753 -4.231 12.066 1.00 0.00 C ATOM 0 H LEU A 35 -7.740 -5.003 7.317 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.714 -6.338 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.422 -5.790 9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.784 -4.080 9.524 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.684 -4.594 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.144 -6.452 12.761 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.520 -7.032 11.120 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.830 -6.958 11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.107 -4.241 13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.752 -4.659 12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.725 -3.204 11.702 1.00 0.00 H new ATOM 501 N ARG A 36 -11.644 -4.787 8.664 1.00 0.00 N ATOM 502 CA ARG A 36 -12.802 -3.903 8.726 1.00 0.00 C ATOM 503 C ARG A 36 -12.850 -3.164 10.060 1.00 0.00 C ATOM 504 O ARG A 36 -12.864 -3.782 11.124 1.00 0.00 O ATOM 505 CB ARG A 36 -14.092 -4.702 8.527 1.00 0.00 C ATOM 506 CG ARG A 36 -15.321 -3.832 8.321 1.00 0.00 C ATOM 507 CD ARG A 36 -16.579 -4.672 8.170 1.00 0.00 C ATOM 508 NE ARG A 36 -16.744 -5.615 9.274 1.00 0.00 N ATOM 509 CZ ARG A 36 -16.209 -6.830 9.288 1.00 0.00 C ATOM 510 NH1 ARG A 36 -15.479 -7.249 8.263 1.00 0.00 N ATOM 511 NH2 ARG A 36 -16.403 -7.630 10.328 1.00 0.00 N ATOM 0 H ARG A 36 -11.872 -5.773 8.534 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.711 -3.169 7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.973 -5.359 7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.251 -5.341 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.434 -3.154 9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.186 -3.214 7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.449 -4.017 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.538 -5.220 7.229 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.301 -5.324 10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.327 -6.637 7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.069 -8.183 8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.964 -7.312 11.118 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.991 -8.563 10.337 1.00 0.00 H new ATOM 525 N GLY A 37 -12.873 -1.836 9.995 1.00 0.00 N ATOM 526 CA GLY A 37 -12.918 -1.034 11.203 1.00 0.00 C ATOM 527 C GLY A 37 -11.538 -0.633 11.685 1.00 0.00 C ATOM 528 O GLY A 37 -11.317 -0.456 12.882 1.00 0.00 O ATOM 0 H GLY A 37 -12.861 -1.301 9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.510 -0.137 11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.425 -1.594 11.989 1.00 0.00 H new ATOM 532 N GLY A 38 -10.604 -0.492 10.749 1.00 0.00 N ATOM 533 CA GLY A 38 -9.249 -0.112 11.104 1.00 0.00 C ATOM 534 C GLY A 38 -8.801 1.157 10.407 1.00 0.00 C ATOM 535 O GLY A 38 -9.576 2.104 10.268 1.00 0.00 O ATOM 0 H GLY A 38 -10.762 -0.634 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.185 0.028 12.183 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.568 -0.924 10.847 1.00 0.00 H new ATOM 539 N ILE A 39 -7.547 1.178 9.969 1.00 0.00 N ATOM 540 CA ILE A 39 -6.997 2.341 9.283 1.00 0.00 C ATOM 541 C ILE A 39 -7.091 2.183 7.770 1.00 0.00 C ATOM 542 O ILE A 39 -7.579 3.071 7.071 1.00 0.00 O ATOM 543 CB ILE A 39 -5.526 2.582 9.673 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.335 2.380 11.178 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.091 3.980 9.260 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.885 2.266 11.592 1.00 0.00 C ATOM 0 H ILE A 39 -6.893 0.403 10.077 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.592 3.200 9.593 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.902 1.859 9.147 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.792 3.215 11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.864 1.478 11.486 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.050 4.135 9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.195 4.089 8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.717 4.719 9.761 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.825 2.124 12.671 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.429 1.414 11.088 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.355 3.177 11.316 1.00 0.00 H new ATOM 558 N ALA A 40 -6.621 1.044 7.270 1.00 0.00 N ATOM 559 CA ALA A 40 -6.656 0.767 5.839 1.00 0.00 C ATOM 560 C ALA A 40 -7.916 1.339 5.199 1.00 0.00 C ATOM 561 O ALA A 40 -7.841 2.171 4.296 1.00 0.00 O ATOM 562 CB ALA A 40 -6.569 -0.732 5.590 1.00 0.00 C ATOM 0 H ALA A 40 -6.212 0.299 7.834 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.795 1.252 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.596 -0.925 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.637 -1.116 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.412 -1.230 6.070 1.00 0.00 H new ATOM 568 N GLU A 41 -9.073 0.887 5.673 1.00 0.00 N ATOM 569 CA GLU A 41 -10.349 1.354 5.145 1.00 0.00 C ATOM 570 C GLU A 41 -10.423 2.878 5.169 1.00 0.00 C ATOM 571 O GLU A 41 -10.853 3.505 4.201 1.00 0.00 O ATOM 572 CB GLU A 41 -11.507 0.764 5.951 1.00 0.00 C ATOM 573 CG GLU A 41 -12.876 1.071 5.367 1.00 0.00 C ATOM 574 CD GLU A 41 -13.972 0.212 5.965 1.00 0.00 C ATOM 575 OE1 GLU A 41 -14.414 0.513 7.093 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.389 -0.762 5.303 1.00 0.00 O ATOM 0 H GLU A 41 -9.153 0.198 6.421 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.429 1.020 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.382 -0.317 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.462 1.148 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.111 2.122 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.849 0.919 4.288 1.00 0.00 H new ATOM 583 N ARG A 42 -10.001 3.467 6.283 1.00 0.00 N ATOM 584 CA ARG A 42 -10.020 4.917 6.436 1.00 0.00 C ATOM 585 C ARG A 42 -9.165 5.588 5.365 1.00 0.00 C ATOM 586 O ARG A 42 -9.636 6.461 4.637 1.00 0.00 O ATOM 587 CB ARG A 42 -9.518 5.312 7.826 1.00 0.00 C ATOM 588 CG ARG A 42 -10.598 5.278 8.896 1.00 0.00 C ATOM 589 CD ARG A 42 -10.208 6.111 10.107 1.00 0.00 C ATOM 590 NE ARG A 42 -10.257 7.543 9.825 1.00 0.00 N ATOM 591 CZ ARG A 42 -11.387 8.232 9.718 1.00 0.00 C ATOM 592 NH1 ARG A 42 -12.556 7.624 9.869 1.00 0.00 N ATOM 593 NH2 ARG A 42 -11.351 9.534 9.461 1.00 0.00 N ATOM 0 H ARG A 42 -9.642 2.962 7.093 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.050 5.256 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.710 4.640 8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.096 6.316 7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.534 5.652 8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.775 4.247 9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.878 5.882 10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.202 5.838 10.426 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.375 8.041 9.704 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.589 6.624 10.068 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.422 8.156 9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.454 10.006 9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.220 10.062 9.379 1.00 0.00 H new ATOM 607 N GLY A 43 -7.905 5.173 5.275 1.00 0.00 N ATOM 608 CA GLY A 43 -7.005 5.745 4.291 1.00 0.00 C ATOM 609 C GLY A 43 -7.499 5.553 2.871 1.00 0.00 C ATOM 610 O GLY A 43 -7.392 6.454 2.041 1.00 0.00 O ATOM 0 H GLY A 43 -7.492 4.451 5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.885 6.810 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.021 5.288 4.395 1.00 0.00 H new ATOM 614 N GLY A 44 -8.042 4.372 2.590 1.00 0.00 N ATOM 615 CA GLY A 44 -8.545 4.085 1.259 1.00 0.00 C ATOM 616 C GLY A 44 -7.886 2.868 0.640 1.00 0.00 C ATOM 617 O GLY A 44 -7.723 2.795 -0.578 1.00 0.00 O ATOM 0 H GLY A 44 -8.142 3.609 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.622 3.926 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.379 4.950 0.617 1.00 0.00 H new ATOM 621 N ILE A 45 -7.503 1.913 1.480 1.00 0.00 N ATOM 622 CA ILE A 45 -6.857 0.694 1.008 1.00 0.00 C ATOM 623 C ILE A 45 -7.862 -0.235 0.336 1.00 0.00 C ATOM 624 O ILE A 45 -8.922 -0.526 0.891 1.00 0.00 O ATOM 625 CB ILE A 45 -6.167 -0.060 2.160 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.111 0.828 2.820 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.540 -1.348 1.649 1.00 0.00 C ATOM 628 CD1 ILE A 45 -4.084 1.368 1.851 1.00 0.00 C ATOM 0 H ILE A 45 -7.629 1.959 2.491 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.103 0.997 0.281 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.917 -0.316 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.608 1.664 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.601 0.257 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.056 -1.870 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.314 -1.985 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.800 -1.114 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.367 1.989 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.561 0.538 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.582 1.967 1.089 1.00 0.00 H new ATOM 640 N ARG A 46 -7.520 -0.700 -0.861 1.00 0.00 N ATOM 641 CA ARG A 46 -8.392 -1.598 -1.610 1.00 0.00 C ATOM 642 C ARG A 46 -7.669 -2.898 -1.951 1.00 0.00 C ATOM 643 O ARG A 46 -6.721 -2.906 -2.736 1.00 0.00 O ATOM 644 CB ARG A 46 -8.878 -0.920 -2.892 1.00 0.00 C ATOM 645 CG ARG A 46 -10.160 -0.124 -2.712 1.00 0.00 C ATOM 646 CD ARG A 46 -11.383 -1.029 -2.715 1.00 0.00 C ATOM 647 NE ARG A 46 -11.628 -1.614 -4.031 1.00 0.00 N ATOM 648 CZ ARG A 46 -12.217 -0.961 -5.027 1.00 0.00 C ATOM 649 NH1 ARG A 46 -12.618 0.291 -4.857 1.00 0.00 N ATOM 650 NH2 ARG A 46 -12.404 -1.561 -6.195 1.00 0.00 N ATOM 0 H ARG A 46 -6.646 -0.470 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.253 -1.834 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.096 -0.255 -3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.037 -1.680 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.118 0.429 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.248 0.611 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.246 -1.826 -1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.258 -0.458 -2.404 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.331 -2.576 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.475 0.755 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.070 0.790 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.096 -2.524 -6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.856 -1.059 -6.959 1.00 0.00 H new ATOM 664 N VAL A 47 -8.124 -3.996 -1.356 1.00 0.00 N ATOM 665 CA VAL A 47 -7.522 -5.302 -1.597 1.00 0.00 C ATOM 666 C VAL A 47 -7.506 -5.633 -3.085 1.00 0.00 C ATOM 667 O VAL A 47 -8.364 -5.182 -3.841 1.00 0.00 O ATOM 668 CB VAL A 47 -8.274 -6.414 -0.842 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.275 -6.139 0.654 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.695 -6.548 -1.369 1.00 0.00 C ATOM 0 H VAL A 47 -8.908 -4.007 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.498 -5.252 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.757 -7.358 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.811 -6.936 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.248 -6.098 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.767 -5.186 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.212 -7.338 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.225 -5.605 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.668 -6.797 -2.430 1.00 0.00 H new ATOM 680 N GLY A 48 -6.522 -6.426 -3.498 1.00 0.00 N ATOM 681 CA GLY A 48 -6.412 -6.806 -4.895 1.00 0.00 C ATOM 682 C GLY A 48 -5.509 -5.874 -5.679 1.00 0.00 C ATOM 683 O GLY A 48 -4.914 -6.273 -6.681 1.00 0.00 O ATOM 0 H GLY A 48 -5.799 -6.812 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.026 -7.823 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.404 -6.811 -5.346 1.00 0.00 H new ATOM 687 N HIS A 49 -5.406 -4.630 -5.224 1.00 0.00 N ATOM 688 CA HIS A 49 -4.569 -3.639 -5.891 1.00 0.00 C ATOM 689 C HIS A 49 -3.092 -3.897 -5.610 1.00 0.00 C ATOM 690 O HIS A 49 -2.693 -4.091 -4.462 1.00 0.00 O ATOM 691 CB HIS A 49 -4.948 -2.230 -5.434 1.00 0.00 C ATOM 692 CG HIS A 49 -6.191 -1.703 -6.083 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.356 -0.379 -6.429 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.332 -2.332 -6.451 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.545 -0.215 -6.979 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.158 -1.385 -7.005 1.00 0.00 N ATOM 0 H HIS A 49 -5.891 -4.284 -4.396 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.736 -3.722 -6.965 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.086 -2.233 -4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.121 -1.553 -5.648 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.552 -3.383 -6.331 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.948 0.717 -7.346 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.092 -1.557 -7.376 1.00 0.00 H new ATOM 704 N ARG A 50 -2.286 -3.900 -6.667 1.00 0.00 N ATOM 705 CA ARG A 50 -0.853 -4.138 -6.534 1.00 0.00 C ATOM 706 C ARG A 50 -0.119 -2.847 -6.183 1.00 0.00 C ATOM 707 O ARG A 50 -0.349 -1.804 -6.795 1.00 0.00 O ATOM 708 CB ARG A 50 -0.289 -4.722 -7.830 1.00 0.00 C ATOM 709 CG ARG A 50 1.230 -4.778 -7.862 1.00 0.00 C ATOM 710 CD ARG A 50 1.754 -6.049 -7.212 1.00 0.00 C ATOM 711 NE ARG A 50 1.835 -7.156 -8.161 1.00 0.00 N ATOM 712 CZ ARG A 50 2.749 -7.235 -9.121 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.655 -6.276 -9.259 1.00 0.00 N ATOM 714 NH2 ARG A 50 2.759 -8.274 -9.946 1.00 0.00 N ATOM 0 H ARG A 50 -2.600 -3.740 -7.624 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.702 -4.854 -5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.684 -5.728 -7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.640 -4.124 -8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.575 -4.727 -8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.638 -3.909 -7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.741 -5.860 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.102 -6.328 -6.384 1.00 0.00 H new ATOM 0 HE ARG A 50 1.152 -7.910 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.651 -5.476 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.356 -6.339 -9.997 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.064 -9.013 -9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.462 -8.333 -10.683 1.00 0.00 H new ATOM 728 N ILE A 51 0.765 -2.925 -5.194 1.00 0.00 N ATOM 729 CA ILE A 51 1.533 -1.764 -4.762 1.00 0.00 C ATOM 730 C ILE A 51 2.649 -1.444 -5.751 1.00 0.00 C ATOM 731 O ILE A 51 3.268 -2.346 -6.316 1.00 0.00 O ATOM 732 CB ILE A 51 2.146 -1.982 -3.366 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.084 -2.497 -2.393 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.762 -0.690 -2.851 1.00 0.00 C ATOM 735 CD1 ILE A 51 0.074 -1.446 -1.989 1.00 0.00 C ATOM 0 H ILE A 51 0.967 -3.781 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 51 0.839 -0.925 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 51 2.934 -2.732 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.560 -3.336 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.577 -2.879 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.191 -0.860 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.545 -0.362 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.992 0.079 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.648 -1.882 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.587 -0.617 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.446 -1.081 -2.875 1.00 0.00 H new ATOM 747 N ILE A 52 2.900 -0.156 -5.954 1.00 0.00 N ATOM 748 CA ILE A 52 3.943 0.283 -6.873 1.00 0.00 C ATOM 749 C ILE A 52 4.916 1.235 -6.186 1.00 0.00 C ATOM 750 O ILE A 52 6.089 1.308 -6.550 1.00 0.00 O ATOM 751 CB ILE A 52 3.347 0.981 -8.110 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.440 2.136 -7.683 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.577 -0.018 -8.962 1.00 0.00 C ATOM 754 CD1 ILE A 52 1.994 3.011 -8.834 1.00 0.00 C ATOM 0 H ILE A 52 2.396 0.602 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 52 4.478 -0.611 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 52 4.163 1.387 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.560 1.731 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.967 2.750 -6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.162 0.490 -9.832 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.250 -0.810 -9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.768 -0.450 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.354 3.809 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.867 3.445 -9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.439 2.410 -9.554 1.00 0.00 H new ATOM 766 N GLU A 53 4.420 1.961 -5.189 1.00 0.00 N ATOM 767 CA GLU A 53 5.247 2.908 -4.450 1.00 0.00 C ATOM 768 C GLU A 53 4.703 3.121 -3.040 1.00 0.00 C ATOM 769 O GLU A 53 3.509 3.361 -2.854 1.00 0.00 O ATOM 770 CB GLU A 53 5.315 4.246 -5.190 1.00 0.00 C ATOM 771 CG GLU A 53 6.602 5.014 -4.942 1.00 0.00 C ATOM 772 CD GLU A 53 6.486 6.481 -5.308 1.00 0.00 C ATOM 773 OE1 GLU A 53 6.031 7.270 -4.453 1.00 0.00 O ATOM 774 OE2 GLU A 53 6.849 6.839 -6.447 1.00 0.00 O ATOM 0 H GLU A 53 3.451 1.912 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 53 6.251 2.492 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.210 4.066 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.469 4.863 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.876 4.926 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.408 4.562 -5.520 1.00 0.00 H new ATOM 781 N ILE A 54 5.586 3.031 -2.052 1.00 0.00 N ATOM 782 CA ILE A 54 5.195 3.214 -0.659 1.00 0.00 C ATOM 783 C ILE A 54 6.016 4.316 0.002 1.00 0.00 C ATOM 784 O ILE A 54 7.202 4.476 -0.283 1.00 0.00 O ATOM 785 CB ILE A 54 5.358 1.913 0.147 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.832 1.505 0.205 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.519 0.801 -0.465 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.581 2.112 1.371 1.00 0.00 C ATOM 0 H ILE A 54 6.577 2.833 -2.190 1.00 0.00 H new ATOM 0 HA ILE A 54 4.143 3.500 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 54 5.008 2.087 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.898 0.419 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.320 1.801 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.645 -0.112 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.469 1.092 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.841 0.625 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.619 1.780 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.546 3.199 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.118 1.795 2.306 1.00 0.00 H new ATOM 800 N ASN A 55 5.377 5.072 0.888 1.00 0.00 N ATOM 801 CA ASN A 55 6.048 6.158 1.592 1.00 0.00 C ATOM 802 C ASN A 55 7.034 6.874 0.674 1.00 0.00 C ATOM 803 O ASN A 55 8.043 7.412 1.128 1.00 0.00 O ATOM 804 CB ASN A 55 6.779 5.621 2.824 1.00 0.00 C ATOM 805 CG ASN A 55 5.825 5.088 3.876 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.223 5.854 4.628 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.684 3.769 3.932 1.00 0.00 N ATOM 0 H ASN A 55 4.395 4.952 1.136 1.00 0.00 H new ATOM 0 HA ASN A 55 5.290 6.873 1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.461 4.827 2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.387 6.415 3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.056 3.352 4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.204 3.173 3.288 1.00 0.00 H new ATOM 814 N GLY A 56 6.734 6.876 -0.621 1.00 0.00 N ATOM 815 CA GLY A 56 7.603 7.529 -1.583 1.00 0.00 C ATOM 816 C GLY A 56 8.817 6.690 -1.931 1.00 0.00 C ATOM 817 O GLY A 56 9.930 7.206 -2.022 1.00 0.00 O ATOM 0 H GLY A 56 5.905 6.437 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.039 7.741 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.931 8.487 -1.180 1.00 0.00 H new ATOM 821 N GLN A 57 8.602 5.392 -2.123 1.00 0.00 N ATOM 822 CA GLN A 57 9.689 4.480 -2.459 1.00 0.00 C ATOM 823 C GLN A 57 9.205 3.381 -3.399 1.00 0.00 C ATOM 824 O GLN A 57 8.190 2.734 -3.144 1.00 0.00 O ATOM 825 CB GLN A 57 10.275 3.861 -1.189 1.00 0.00 C ATOM 826 CG GLN A 57 10.945 4.871 -0.273 1.00 0.00 C ATOM 827 CD GLN A 57 12.361 5.200 -0.704 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.681 5.182 -1.893 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.219 5.503 0.264 1.00 0.00 N ATOM 0 H GLN A 57 7.686 4.949 -2.052 1.00 0.00 H new ATOM 0 HA GLN A 57 10.466 5.051 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.479 3.357 -0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.002 3.098 -1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.353 5.786 -0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.961 4.479 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.911 5.506 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.186 5.733 0.035 1.00 0.00 H new ATOM 838 N SER A 58 9.940 3.175 -4.488 1.00 0.00 N ATOM 839 CA SER A 58 9.583 2.156 -5.469 1.00 0.00 C ATOM 840 C SER A 58 9.670 0.761 -4.859 1.00 0.00 C ATOM 841 O SER A 58 10.715 0.356 -4.350 1.00 0.00 O ATOM 842 CB SER A 58 10.502 2.249 -6.689 1.00 0.00 C ATOM 843 OG SER A 58 11.863 2.134 -6.312 1.00 0.00 O ATOM 0 H SER A 58 10.785 3.700 -4.713 1.00 0.00 H new ATOM 0 HA SER A 58 8.554 2.333 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.250 1.461 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.341 3.200 -7.198 1.00 0.00 H new ATOM 0 HG SER A 58 11.943 1.509 -5.561 1.00 0.00 H new ATOM 849 N VAL A 59 8.562 0.028 -4.913 1.00 0.00 N ATOM 850 CA VAL A 59 8.511 -1.323 -4.367 1.00 0.00 C ATOM 851 C VAL A 59 8.131 -2.336 -5.441 1.00 0.00 C ATOM 852 O VAL A 59 8.258 -3.544 -5.243 1.00 0.00 O ATOM 853 CB VAL A 59 7.504 -1.421 -3.205 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.960 -0.570 -2.030 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.115 -1.007 -3.668 1.00 0.00 C ATOM 0 H VAL A 59 7.687 0.348 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 59 9.509 -1.551 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 59 7.457 -2.458 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.236 -0.652 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.933 -0.918 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.038 0.471 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.416 -1.082 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.143 0.022 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.790 -1.664 -4.475 1.00 0.00 H new ATOM 865 N VAL A 60 7.664 -1.835 -6.580 1.00 0.00 N ATOM 866 CA VAL A 60 7.266 -2.695 -7.688 1.00 0.00 C ATOM 867 C VAL A 60 8.297 -3.793 -7.929 1.00 0.00 C ATOM 868 O VAL A 60 7.977 -4.852 -8.466 1.00 0.00 O ATOM 869 CB VAL A 60 7.079 -1.889 -8.987 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.233 -0.917 -9.183 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.949 -2.823 -10.180 1.00 0.00 C ATOM 0 H VAL A 60 7.552 -0.837 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 60 6.314 -3.148 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 60 6.158 -1.311 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.084 -0.356 -10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.274 -0.226 -8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.170 -1.471 -9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.818 -2.236 -11.089 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.850 -3.430 -10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.086 -3.474 -10.040 1.00 0.00 H new ATOM 881 N ALA A 61 9.536 -3.531 -7.526 1.00 0.00 N ATOM 882 CA ALA A 61 10.614 -4.497 -7.695 1.00 0.00 C ATOM 883 C ALA A 61 11.120 -4.998 -6.347 1.00 0.00 C ATOM 884 O ALA A 61 11.500 -6.161 -6.207 1.00 0.00 O ATOM 885 CB ALA A 61 11.755 -3.881 -8.493 1.00 0.00 C ATOM 0 H ALA A 61 9.818 -2.658 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 61 10.219 -5.351 -8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.553 -4.614 -8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.391 -3.579 -9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.139 -3.008 -7.965 1.00 0.00 H new ATOM 891 N THR A 62 11.122 -4.113 -5.355 1.00 0.00 N ATOM 892 CA THR A 62 11.583 -4.464 -4.018 1.00 0.00 C ATOM 893 C THR A 62 10.957 -5.772 -3.547 1.00 0.00 C ATOM 894 O THR A 62 9.773 -6.035 -3.761 1.00 0.00 O ATOM 895 CB THR A 62 11.253 -3.356 -3.000 1.00 0.00 C ATOM 896 OG1 THR A 62 11.936 -2.148 -3.354 1.00 0.00 O ATOM 897 CG2 THR A 62 11.652 -3.776 -1.594 1.00 0.00 C ATOM 0 H THR A 62 10.809 -3.147 -5.453 1.00 0.00 H new ATOM 0 HA THR A 62 12.665 -4.582 -4.078 1.00 0.00 H new ATOM 0 HB THR A 62 10.177 -3.184 -3.019 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.720 -1.448 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.409 -2.977 -0.893 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.110 -4.680 -1.317 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.724 -3.972 -1.563 1.00 0.00 H new ATOM 905 N PRO A 63 11.768 -6.614 -2.889 1.00 0.00 N ATOM 906 CA PRO A 63 11.314 -7.909 -2.373 1.00 0.00 C ATOM 907 C PRO A 63 10.354 -7.761 -1.198 1.00 0.00 C ATOM 908 O PRO A 63 10.596 -6.976 -0.280 1.00 0.00 O ATOM 909 CB PRO A 63 12.611 -8.585 -1.922 1.00 0.00 C ATOM 910 CG PRO A 63 13.542 -7.460 -1.628 1.00 0.00 C ATOM 911 CD PRO A 63 13.190 -6.367 -2.598 1.00 0.00 C ATOM 0 HA PRO A 63 10.760 -8.475 -3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.448 -9.205 -1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.010 -9.236 -2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.430 -7.119 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.580 -7.770 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.346 -5.379 -2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.800 -6.419 -3.500 1.00 0.00 H new ATOM 919 N HIS A 64 9.263 -8.519 -1.232 1.00 0.00 N ATOM 920 CA HIS A 64 8.266 -8.473 -0.168 1.00 0.00 C ATOM 921 C HIS A 64 8.930 -8.270 1.190 1.00 0.00 C ATOM 922 O HIS A 64 8.580 -7.353 1.932 1.00 0.00 O ATOM 923 CB HIS A 64 7.439 -9.759 -0.158 1.00 0.00 C ATOM 924 CG HIS A 64 6.446 -9.824 0.961 1.00 0.00 C ATOM 925 ND1 HIS A 64 5.083 -9.762 0.762 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.624 -9.947 2.297 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.466 -9.843 1.927 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.379 -9.957 2.875 1.00 0.00 N ATOM 0 H HIS A 64 9.047 -9.173 -1.985 1.00 0.00 H new ATOM 0 HA HIS A 64 7.605 -7.628 -0.360 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.911 -9.849 -1.107 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.112 -10.613 -0.086 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.570 -10.023 2.813 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.397 -9.820 2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.190 -10.039 3.874 1.00 0.00 H new ATOM 936 N ALA A 65 9.890 -9.132 1.509 1.00 0.00 N ATOM 937 CA ALA A 65 10.603 -9.047 2.777 1.00 0.00 C ATOM 938 C ALA A 65 10.886 -7.596 3.151 1.00 0.00 C ATOM 939 O ALA A 65 10.578 -7.159 4.261 1.00 0.00 O ATOM 940 CB ALA A 65 11.901 -9.838 2.707 1.00 0.00 C ATOM 0 H ALA A 65 10.192 -9.897 0.906 1.00 0.00 H new ATOM 0 HA ALA A 65 9.969 -9.478 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.423 -9.766 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.679 -10.884 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.532 -9.432 1.916 1.00 0.00 H new ATOM 946 N ARG A 66 11.474 -6.853 2.219 1.00 0.00 N ATOM 947 CA ARG A 66 11.800 -5.451 2.452 1.00 0.00 C ATOM 948 C ARG A 66 10.534 -4.603 2.523 1.00 0.00 C ATOM 949 O ARG A 66 10.376 -3.780 3.426 1.00 0.00 O ATOM 950 CB ARG A 66 12.716 -4.928 1.345 1.00 0.00 C ATOM 951 CG ARG A 66 12.929 -3.423 1.391 1.00 0.00 C ATOM 952 CD ARG A 66 13.660 -3.003 2.656 1.00 0.00 C ATOM 953 NE ARG A 66 14.469 -1.805 2.448 1.00 0.00 N ATOM 954 CZ ARG A 66 15.663 -1.816 1.867 1.00 0.00 C ATOM 955 NH1 ARG A 66 16.184 -2.957 1.438 1.00 0.00 N ATOM 956 NH2 ARG A 66 16.339 -0.684 1.714 1.00 0.00 N ATOM 0 H ARG A 66 11.734 -7.199 1.295 1.00 0.00 H new ATOM 0 HA ARG A 66 12.319 -5.378 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.683 -5.426 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.293 -5.197 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.500 -3.108 0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.965 -2.916 1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.935 -2.818 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.300 -3.819 2.993 1.00 0.00 H new ATOM 0 HE ARG A 66 14.096 -0.911 2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.668 -3.829 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.101 -2.963 0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.941 0.196 2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.256 -0.694 1.268 1.00 0.00 H new ATOM 970 N ILE A 67 9.635 -4.809 1.567 1.00 0.00 N ATOM 971 CA ILE A 67 8.383 -4.064 1.521 1.00 0.00 C ATOM 972 C ILE A 67 7.712 -4.034 2.890 1.00 0.00 C ATOM 973 O ILE A 67 7.199 -3.000 3.318 1.00 0.00 O ATOM 974 CB ILE A 67 7.406 -4.668 0.496 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.985 -4.563 -0.917 1.00 0.00 C ATOM 976 CG2 ILE A 67 6.057 -3.968 0.574 1.00 0.00 C ATOM 977 CD1 ILE A 67 7.159 -5.277 -1.963 1.00 0.00 C ATOM 0 H ILE A 67 9.750 -5.486 0.813 1.00 0.00 H new ATOM 0 HA ILE A 67 8.631 -3.047 1.218 1.00 0.00 H new ATOM 0 HB ILE A 67 7.261 -5.722 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.070 -3.511 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.994 -4.975 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.377 -4.406 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.642 -4.089 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.185 -2.907 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.629 -5.160 -2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.095 -6.337 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.157 -4.849 -1.989 1.00 0.00 H new ATOM 989 N ILE A 68 7.720 -5.175 3.572 1.00 0.00 N ATOM 990 CA ILE A 68 7.115 -5.278 4.894 1.00 0.00 C ATOM 991 C ILE A 68 7.885 -4.451 5.918 1.00 0.00 C ATOM 992 O ILE A 68 7.291 -3.797 6.774 1.00 0.00 O ATOM 993 CB ILE A 68 7.054 -6.741 5.373 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.412 -7.625 4.301 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.282 -6.838 6.680 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.913 -7.455 4.196 1.00 0.00 C ATOM 0 H ILE A 68 8.139 -6.040 3.231 1.00 0.00 H new ATOM 0 HA ILE A 68 6.100 -4.890 4.807 1.00 0.00 H new ATOM 0 HB ILE A 68 8.070 -7.094 5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.864 -7.397 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.637 -8.669 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.247 -7.878 7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.778 -6.236 7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.267 -6.470 6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.526 -8.112 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.450 -7.711 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.681 -6.420 3.946 1.00 0.00 H new ATOM 1008 N GLU A 69 9.210 -4.485 5.821 1.00 0.00 N ATOM 1009 CA GLU A 69 10.062 -3.737 6.739 1.00 0.00 C ATOM 1010 C GLU A 69 9.844 -2.235 6.582 1.00 0.00 C ATOM 1011 O GLU A 69 9.736 -1.505 7.569 1.00 0.00 O ATOM 1012 CB GLU A 69 11.534 -4.078 6.497 1.00 0.00 C ATOM 1013 CG GLU A 69 12.015 -5.288 7.279 1.00 0.00 C ATOM 1014 CD GLU A 69 13.492 -5.216 7.615 1.00 0.00 C ATOM 1015 OE1 GLU A 69 13.860 -4.415 8.499 1.00 0.00 O ATOM 1016 OE2 GLU A 69 14.279 -5.960 6.994 1.00 0.00 O ATOM 0 H GLU A 69 9.717 -5.022 5.117 1.00 0.00 H new ATOM 0 HA GLU A 69 9.793 -4.021 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.686 -4.260 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.146 -3.217 6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.440 -5.372 8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.822 -6.191 6.700 1.00 0.00 H new ATOM 1023 N LEU A 70 9.780 -1.779 5.336 1.00 0.00 N ATOM 1024 CA LEU A 70 9.576 -0.364 5.048 1.00 0.00 C ATOM 1025 C LEU A 70 8.243 0.119 5.611 1.00 0.00 C ATOM 1026 O LEU A 70 8.206 0.917 6.549 1.00 0.00 O ATOM 1027 CB LEU A 70 9.624 -0.118 3.539 1.00 0.00 C ATOM 1028 CG LEU A 70 11.018 0.025 2.926 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.935 0.028 1.408 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.694 1.292 3.429 1.00 0.00 C ATOM 0 H LEU A 70 9.867 -2.369 4.509 1.00 0.00 H new ATOM 0 HA LEU A 70 10.378 0.198 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.112 -0.941 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.058 0.788 3.321 1.00 0.00 H new ATOM 0 HG LEU A 70 11.620 -0.830 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.936 0.131 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.493 -0.908 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.317 0.863 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.685 1.378 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.095 2.159 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.788 1.248 4.514 1.00 0.00 H new ATOM 1042 N LEU A 71 7.151 -0.371 5.035 1.00 0.00 N ATOM 1043 CA LEU A 71 5.815 0.008 5.481 1.00 0.00 C ATOM 1044 C LEU A 71 5.742 0.058 7.004 1.00 0.00 C ATOM 1045 O LEU A 71 5.194 0.998 7.580 1.00 0.00 O ATOM 1046 CB LEU A 71 4.777 -0.977 4.942 1.00 0.00 C ATOM 1047 CG LEU A 71 4.272 -0.711 3.523 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.451 -1.888 3.019 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.452 0.570 3.480 1.00 0.00 C ATOM 0 H LEU A 71 7.164 -1.032 4.258 1.00 0.00 H new ATOM 0 HA LEU A 71 5.599 1.003 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.206 -1.978 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.921 -0.977 5.617 1.00 0.00 H new ATOM 0 HG LEU A 71 5.135 -0.589 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.100 -1.681 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.069 -2.786 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.595 -2.042 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.101 0.743 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.596 0.477 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.071 1.409 3.798 1.00 0.00 H new ATOM 1061 N THR A 72 6.302 -0.959 7.652 1.00 0.00 N ATOM 1062 CA THR A 72 6.302 -1.031 9.107 1.00 0.00 C ATOM 1063 C THR A 72 7.130 0.097 9.713 1.00 0.00 C ATOM 1064 O THR A 72 6.665 0.811 10.602 1.00 0.00 O ATOM 1065 CB THR A 72 6.855 -2.380 9.603 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.069 -3.455 9.075 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.851 -2.441 11.123 1.00 0.00 C ATOM 0 H THR A 72 6.762 -1.744 7.191 1.00 0.00 H new ATOM 0 HA THR A 72 5.265 -0.931 9.428 1.00 0.00 H new ATOM 0 HB THR A 72 7.883 -2.477 9.255 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.378 -3.673 8.171 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.246 -3.403 11.450 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.473 -1.639 11.521 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.831 -2.324 11.489 1.00 0.00 H new ATOM 1075 N GLU A 73 8.357 0.253 9.226 1.00 0.00 N ATOM 1076 CA GLU A 73 9.248 1.295 9.721 1.00 0.00 C ATOM 1077 C GLU A 73 8.603 2.672 9.586 1.00 0.00 C ATOM 1078 O GLU A 73 8.805 3.549 10.426 1.00 0.00 O ATOM 1079 CB GLU A 73 10.576 1.265 8.962 1.00 0.00 C ATOM 1080 CG GLU A 73 11.424 0.042 9.267 1.00 0.00 C ATOM 1081 CD GLU A 73 12.333 0.246 10.464 1.00 0.00 C ATOM 1082 OE1 GLU A 73 11.811 0.356 11.593 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.566 0.296 10.271 1.00 0.00 O ATOM 0 H GLU A 73 8.756 -0.329 8.489 1.00 0.00 H new ATOM 0 HA GLU A 73 9.437 1.103 10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.374 1.299 7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.145 2.162 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.771 -0.811 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.029 -0.203 8.394 1.00 0.00 H new ATOM 1090 N ALA A 74 7.827 2.853 8.522 1.00 0.00 N ATOM 1091 CA ALA A 74 7.152 4.122 8.277 1.00 0.00 C ATOM 1092 C ALA A 74 6.185 4.456 9.407 1.00 0.00 C ATOM 1093 O ALA A 74 5.322 3.651 9.757 1.00 0.00 O ATOM 1094 CB ALA A 74 6.417 4.079 6.945 1.00 0.00 C ATOM 0 H ALA A 74 7.650 2.138 7.817 1.00 0.00 H new ATOM 0 HA ALA A 74 7.908 4.907 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.917 5.033 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.130 3.894 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.676 3.280 6.964 1.00 0.00 H new ATOM 1100 N TYR A 75 6.335 5.648 9.974 1.00 0.00 N ATOM 1101 CA TYR A 75 5.476 6.087 11.067 1.00 0.00 C ATOM 1102 C TYR A 75 4.619 7.276 10.643 1.00 0.00 C ATOM 1103 O TYR A 75 4.801 7.832 9.561 1.00 0.00 O ATOM 1104 CB TYR A 75 6.319 6.463 12.287 1.00 0.00 C ATOM 1105 CG TYR A 75 7.551 5.603 12.459 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.494 4.405 13.161 1.00 0.00 C ATOM 1107 CD2 TYR A 75 8.773 5.989 11.920 1.00 0.00 C ATOM 1108 CE1 TYR A 75 8.618 3.617 13.321 1.00 0.00 C ATOM 1109 CE2 TYR A 75 9.900 5.206 12.074 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.818 4.022 12.775 1.00 0.00 C ATOM 1111 OH TYR A 75 10.940 3.240 12.932 1.00 0.00 O ATOM 0 H TYR A 75 7.043 6.327 9.695 1.00 0.00 H new ATOM 0 HA TYR A 75 4.816 5.261 11.330 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.623 7.506 12.201 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.703 6.384 13.183 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.556 4.084 13.589 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.842 6.917 11.372 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.557 2.689 13.871 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.841 5.520 11.647 1.00 0.00 H new ATOM 0 HH TYR A 75 11.701 3.667 12.487 1.00 0.00 H new ATOM 1121 N GLY A 76 3.682 7.660 11.505 1.00 0.00 N ATOM 1122 CA GLY A 76 2.811 8.781 11.204 1.00 0.00 C ATOM 1123 C GLY A 76 2.135 8.642 9.854 1.00 0.00 C ATOM 1124 O GLY A 76 1.421 7.670 9.608 1.00 0.00 O ATOM 0 H GLY A 76 3.511 7.215 12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.051 8.866 11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.391 9.704 11.223 1.00 0.00 H new ATOM 1128 N GLU A 77 2.359 9.617 8.978 1.00 0.00 N ATOM 1129 CA GLU A 77 1.764 9.600 7.647 1.00 0.00 C ATOM 1130 C GLU A 77 2.426 8.542 6.769 1.00 0.00 C ATOM 1131 O GLU A 77 3.652 8.458 6.697 1.00 0.00 O ATOM 1132 CB GLU A 77 1.888 10.976 6.991 1.00 0.00 C ATOM 1133 CG GLU A 77 0.762 11.292 6.021 1.00 0.00 C ATOM 1134 CD GLU A 77 -0.433 11.930 6.702 1.00 0.00 C ATOM 1135 OE1 GLU A 77 -0.676 11.617 7.887 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -1.124 12.742 6.052 1.00 0.00 O ATOM 0 H GLU A 77 2.948 10.428 9.166 1.00 0.00 H new ATOM 0 HA GLU A 77 0.708 9.351 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.911 11.739 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.839 11.032 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.133 11.961 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.446 10.374 5.526 1.00 0.00 H new ATOM 1143 N VAL A 78 1.606 7.737 6.102 1.00 0.00 N ATOM 1144 CA VAL A 78 2.111 6.685 5.227 1.00 0.00 C ATOM 1145 C VAL A 78 1.452 6.749 3.854 1.00 0.00 C ATOM 1146 O VAL A 78 0.299 6.349 3.687 1.00 0.00 O ATOM 1147 CB VAL A 78 1.874 5.289 5.833 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.366 4.205 4.886 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.556 5.175 7.188 1.00 0.00 C ATOM 0 H VAL A 78 0.589 7.793 6.151 1.00 0.00 H new ATOM 0 HA VAL A 78 3.183 6.850 5.120 1.00 0.00 H new ATOM 0 HB VAL A 78 0.802 5.151 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.190 3.226 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.828 4.276 3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.433 4.336 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.379 4.183 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.628 5.333 7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.151 5.928 7.864 1.00 0.00 H new ATOM 1159 N HIS A 79 2.191 7.255 2.872 1.00 0.00 N ATOM 1160 CA HIS A 79 1.679 7.370 1.511 1.00 0.00 C ATOM 1161 C HIS A 79 1.825 6.049 0.762 1.00 0.00 C ATOM 1162 O HIS A 79 2.919 5.688 0.327 1.00 0.00 O ATOM 1163 CB HIS A 79 2.414 8.480 0.759 1.00 0.00 C ATOM 1164 CG HIS A 79 2.104 9.854 1.266 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.568 10.846 0.472 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.256 10.400 2.496 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.405 11.942 1.191 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.814 11.698 2.423 1.00 0.00 N ATOM 0 H HIS A 79 3.146 7.592 2.993 1.00 0.00 H new ATOM 0 HA HIS A 79 0.620 7.620 1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.488 8.308 0.833 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.154 8.425 -0.298 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.651 9.906 3.371 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.005 12.879 0.832 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.803 12.365 3.195 1.00 0.00 H new ATOM 1176 N ILE A 80 0.715 5.332 0.615 1.00 0.00 N ATOM 1177 CA ILE A 80 0.720 4.052 -0.082 1.00 0.00 C ATOM 1178 C ILE A 80 0.008 4.155 -1.426 1.00 0.00 C ATOM 1179 O ILE A 80 -1.211 4.314 -1.486 1.00 0.00 O ATOM 1180 CB ILE A 80 0.048 2.951 0.759 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.825 2.724 2.058 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.048 1.659 -0.039 1.00 0.00 C ATOM 1183 CD1 ILE A 80 0.061 1.921 3.087 1.00 0.00 C ATOM 0 H ILE A 80 -0.198 5.616 0.969 1.00 0.00 H new ATOM 0 HA ILE A 80 1.764 3.786 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.961 3.275 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.759 2.210 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.090 3.690 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.525 0.890 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.640 1.830 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.952 1.330 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.673 1.799 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.860 2.443 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.181 0.941 2.677 1.00 0.00 H new ATOM 1195 N LYS A 81 0.778 4.062 -2.506 1.00 0.00 N ATOM 1196 CA LYS A 81 0.222 4.141 -3.851 1.00 0.00 C ATOM 1197 C LYS A 81 -0.240 2.769 -4.331 1.00 0.00 C ATOM 1198 O LYS A 81 0.576 1.910 -4.668 1.00 0.00 O ATOM 1199 CB LYS A 81 1.261 4.709 -4.821 1.00 0.00 C ATOM 1200 CG LYS A 81 0.651 5.406 -6.025 1.00 0.00 C ATOM 1201 CD LYS A 81 1.691 6.201 -6.796 1.00 0.00 C ATOM 1202 CE LYS A 81 1.862 7.600 -6.222 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.644 7.588 -4.955 1.00 0.00 N ATOM 0 H LYS A 81 1.789 3.932 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.642 4.805 -3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.897 5.415 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.904 3.899 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.196 4.666 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.146 6.072 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.646 5.676 -6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.395 6.270 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.365 8.233 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.882 8.040 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.204 8.461 -4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.993 7.528 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.281 6.766 -4.948 1.00 0.00 H new ATOM 1217 N THR A 82 -1.554 2.569 -4.361 1.00 0.00 N ATOM 1218 CA THR A 82 -2.124 1.301 -4.800 1.00 0.00 C ATOM 1219 C THR A 82 -2.553 1.368 -6.261 1.00 0.00 C ATOM 1220 O THR A 82 -3.161 2.345 -6.695 1.00 0.00 O ATOM 1221 CB THR A 82 -3.337 0.903 -3.938 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.258 1.996 -3.853 1.00 0.00 O ATOM 1223 CG2 THR A 82 -2.897 0.494 -2.541 1.00 0.00 C ATOM 0 H THR A 82 -2.243 3.269 -4.087 1.00 0.00 H new ATOM 0 HA THR A 82 -1.344 0.547 -4.687 1.00 0.00 H new ATOM 0 HB THR A 82 -3.827 0.052 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.985 2.703 -4.474 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.771 0.217 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.220 -0.357 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.385 1.329 -2.062 1.00 0.00 H new ATOM 1231 N MET A 83 -2.231 0.322 -7.016 1.00 0.00 N ATOM 1232 CA MET A 83 -2.586 0.262 -8.429 1.00 0.00 C ATOM 1233 C MET A 83 -3.044 -1.141 -8.815 1.00 0.00 C ATOM 1234 O MET A 83 -2.487 -2.146 -8.373 1.00 0.00 O ATOM 1235 CB MET A 83 -1.394 0.678 -9.294 1.00 0.00 C ATOM 1236 CG MET A 83 -1.795 1.287 -10.628 1.00 0.00 C ATOM 1237 SD MET A 83 -0.438 2.167 -11.424 1.00 0.00 S ATOM 1238 CE MET A 83 -1.269 2.840 -12.862 1.00 0.00 C ATOM 0 H MET A 83 -1.725 -0.495 -6.673 1.00 0.00 H new ATOM 0 HA MET A 83 -3.410 0.954 -8.601 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.789 1.398 -8.743 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.766 -0.194 -9.476 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.150 0.498 -11.291 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.628 1.973 -10.474 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.567 3.443 -13.439 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.642 2.024 -13.482 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.104 3.463 -12.541 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.084 -1.213 -9.659 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.640 -2.488 -10.124 1.00 0.00 C ATOM 1250 C PRO A 84 -3.695 -3.222 -11.069 1.00 0.00 C ATOM 1251 O PRO A 84 -3.413 -2.750 -12.170 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.916 -2.071 -10.859 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.663 -0.668 -11.292 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.797 -0.056 -10.226 1.00 0.00 C ATOM 0 HA PRO A 84 -4.813 -3.182 -9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.111 -2.720 -11.713 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.787 -2.133 -10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.165 -0.642 -12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.598 -0.118 -11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.106 0.677 -10.642 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.392 0.459 -9.471 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.210 -4.379 -10.632 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.299 -5.180 -11.441 1.00 0.00 C ATOM 1264 C ALA A 85 -2.718 -5.175 -12.907 1.00 0.00 C ATOM 1265 O ALA A 85 -1.881 -5.060 -13.801 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.238 -6.605 -10.912 1.00 0.00 C ATOM 0 H ALA A 85 -3.432 -4.783 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.306 -4.736 -11.373 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.554 -7.192 -11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.884 -6.596 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.232 -7.050 -10.950 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.020 -5.302 -13.146 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.550 -5.310 -14.504 1.00 0.00 C ATOM 1274 C ALA A 86 -4.017 -4.129 -15.309 1.00 0.00 C ATOM 1275 O ALA A 86 -3.238 -4.304 -16.246 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.071 -5.290 -14.477 1.00 0.00 C ATOM 0 H ALA A 86 -4.726 -5.401 -12.417 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.218 -6.227 -14.991 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.453 -5.296 -15.498 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.437 -6.169 -13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.414 -4.390 -13.967 1.00 0.00 H new ATOM 1282 N THR A 87 -4.444 -2.926 -14.938 1.00 0.00 N ATOM 1283 CA THR A 87 -4.012 -1.716 -15.626 1.00 0.00 C ATOM 1284 C THR A 87 -2.491 -1.629 -15.682 1.00 0.00 C ATOM 1285 O THR A 87 -1.896 -1.672 -16.759 1.00 0.00 O ATOM 1286 CB THR A 87 -4.563 -0.452 -14.940 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.988 -0.534 -14.834 1.00 0.00 O ATOM 1288 CG2 THR A 87 -4.178 0.797 -15.718 1.00 0.00 C ATOM 0 H THR A 87 -5.089 -2.764 -14.165 1.00 0.00 H new ATOM 0 HA THR A 87 -4.408 -1.771 -16.640 1.00 0.00 H new ATOM 0 HB THR A 87 -4.128 -0.388 -13.942 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.330 0.273 -14.395 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.578 1.677 -15.215 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.092 0.872 -15.771 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.588 0.738 -16.726 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.867 -1.507 -14.516 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.415 -1.412 -14.432 1.00 0.00 C ATOM 1298 C TYR A 88 0.251 -2.318 -15.463 1.00 0.00 C ATOM 1299 O TYR A 88 0.965 -1.849 -16.349 1.00 0.00 O ATOM 1300 CB TYR A 88 0.062 -1.783 -13.027 1.00 0.00 C ATOM 1301 CG TYR A 88 1.439 -1.256 -12.695 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.792 0.056 -12.990 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.388 -2.068 -12.087 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.049 0.542 -12.690 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.648 -1.589 -11.781 1.00 0.00 C ATOM 1306 CZ TYR A 88 3.973 -0.284 -12.085 1.00 0.00 C ATOM 1307 OH TYR A 88 5.227 0.196 -11.783 1.00 0.00 O ATOM 0 H TYR A 88 -2.345 -1.472 -13.615 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.132 -0.381 -14.644 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.650 -1.398 -12.297 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.064 -2.869 -12.928 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.070 0.706 -13.462 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.137 -3.091 -11.849 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.307 1.563 -12.928 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.374 -2.233 -11.307 1.00 0.00 H new ATOM 0 HH TYR A 88 5.573 -0.267 -10.992 1.00 0.00 H new ATOM 1317 N ARG A 89 0.011 -3.619 -15.340 1.00 0.00 N ATOM 1318 CA ARG A 89 0.586 -4.593 -16.260 1.00 0.00 C ATOM 1319 C ARG A 89 0.330 -4.189 -17.709 1.00 0.00 C ATOM 1320 O ARG A 89 1.240 -4.202 -18.539 1.00 0.00 O ATOM 1321 CB ARG A 89 0.004 -5.982 -15.996 1.00 0.00 C ATOM 1322 CG ARG A 89 0.649 -6.699 -14.821 1.00 0.00 C ATOM 1323 CD ARG A 89 0.498 -8.208 -14.938 1.00 0.00 C ATOM 1324 NE ARG A 89 -0.739 -8.684 -14.326 1.00 0.00 N ATOM 1325 CZ ARG A 89 -1.245 -9.894 -14.537 1.00 0.00 C ATOM 1326 NH1 ARG A 89 -0.623 -10.746 -15.340 1.00 0.00 N ATOM 1327 NH2 ARG A 89 -2.376 -10.254 -13.943 1.00 0.00 N ATOM 0 H ARG A 89 -0.578 -4.023 -14.612 1.00 0.00 H new ATOM 0 HA ARG A 89 1.663 -4.621 -16.093 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.066 -5.889 -15.811 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.121 -6.592 -16.892 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.707 -6.441 -14.772 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.194 -6.358 -13.891 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.515 -8.493 -15.990 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.349 -8.695 -14.462 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.242 -8.053 -13.702 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.247 -10.473 -15.798 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.014 -11.674 -15.500 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.857 -9.601 -13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.764 -11.183 -14.105 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.914 -3.832 -18.007 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.292 -3.425 -19.356 1.00 0.00 C ATOM 1343 C LEU A 90 -0.452 -2.239 -19.822 1.00 0.00 C ATOM 1344 O LEU A 90 -0.046 -2.171 -20.983 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.777 -3.063 -19.404 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.743 -4.223 -19.648 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.105 -3.919 -19.044 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.870 -4.508 -21.137 1.00 0.00 C ATOM 0 H LEU A 90 -1.679 -3.816 -17.332 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.108 -4.264 -20.027 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.045 -2.586 -18.461 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.925 -2.322 -20.190 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.342 -5.112 -19.161 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.779 -4.756 -19.227 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.001 -3.766 -17.970 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.513 -3.017 -19.501 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.561 -5.336 -21.291 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.247 -3.621 -21.646 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.893 -4.771 -21.542 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.194 -1.309 -18.909 1.00 0.00 N ATOM 1361 CA LEU A 91 0.600 -0.127 -19.226 1.00 0.00 C ATOM 1362 C LEU A 91 2.044 -0.507 -19.536 1.00 0.00 C ATOM 1363 O LEU A 91 2.575 -0.164 -20.593 1.00 0.00 O ATOM 1364 CB LEU A 91 0.561 0.864 -18.061 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.827 1.215 -17.524 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.744 1.643 -16.067 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -1.465 2.309 -18.368 1.00 0.00 C ATOM 0 H LEU A 91 -0.523 -1.350 -17.944 1.00 0.00 H new ATOM 0 HA LEU A 91 0.170 0.343 -20.111 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.152 0.455 -17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.050 1.785 -18.378 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.454 0.325 -17.584 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.741 1.889 -15.703 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.331 0.829 -15.472 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.100 2.519 -15.981 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.452 2.546 -17.971 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.839 3.201 -18.341 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.561 1.965 -19.398 1.00 0.00 H new