USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ 137:sc= 0.396 (180deg=0) USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.404 USER MOD Set 2.1: A 40 SER OG : rot -110:sc= 1.24 USER MOD Set 2.2: A 87 GLN : amide:sc= -0.777 K(o=0.46,f=-3.8) USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= -0.546 USER MOD Set 3.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc=-0.00307 (180deg=-0.943) USER MOD Single : A 24 ASN : amide:sc= -3.77 K(o=-3.8,f=-5.4!) USER MOD Single : A 26 GLN : amide:sc= -0.729 K(o=-0.73,f=-6!) USER MOD Single : A 29 LYS NZ :NH3+ 138:sc= 1.11 (180deg=-1.16) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -22:sc= 0.253 USER MOD Single : A 52 TYR OH : rot 0:sc= -0.021 USER MOD Single : A 55 ASN : amide:sc= 0.0314 K(o=0.031,f=-9.4!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.234 F(o=-0.84,f=-0.23) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -7.4! C(o=-7.4!,f=-9!) USER MOD Single : A 85 LYS NZ :NH3+ -133:sc= -3.49! (180deg=-6.05!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 87:sc= 0.499 USER MOD Single : A 96 SER OG : rot 84:sc= 0.022 USER MOD Single : A 97 THR OG1 : rot 102:sc= 0.0715 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 21 -7.571 -5.007 -11.848 1.00 0.00 N ATOM 71 CA LYS A 21 -6.722 -4.195 -12.712 1.00 0.00 C ATOM 72 C LYS A 21 -5.791 -3.317 -11.884 1.00 0.00 C ATOM 73 O LYS A 21 -6.181 -2.793 -10.840 1.00 0.00 O ATOM 74 CB LYS A 21 -7.574 -3.327 -13.643 1.00 0.00 C ATOM 75 CG LYS A 21 -8.814 -2.744 -12.981 1.00 0.00 C ATOM 76 CD LYS A 21 -8.532 -1.382 -12.370 1.00 0.00 C ATOM 77 CE LYS A 21 -9.815 -0.670 -11.971 1.00 0.00 C ATOM 78 NZ LYS A 21 -9.919 0.680 -12.592 1.00 0.00 N ATOM 0 HA LYS A 21 -6.116 -4.868 -13.318 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.961 -2.511 -14.025 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.880 -3.925 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.613 -2.655 -13.717 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.168 -3.425 -12.207 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.894 -1.501 -11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.982 -0.769 -13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.672 -1.273 -12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.854 -0.574 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.921 0.939 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.441 1.378 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.468 0.667 -13.529 1.00 0.00 H new ATOM 92 N ARG A 22 -4.557 -3.164 -12.352 1.00 0.00 N ATOM 93 CA ARG A 22 -3.571 -2.355 -11.648 1.00 0.00 C ATOM 94 C ARG A 22 -3.535 -0.932 -12.193 1.00 0.00 C ATOM 95 O ARG A 22 -3.608 -0.717 -13.403 1.00 0.00 O ATOM 96 CB ARG A 22 -2.183 -2.991 -11.760 1.00 0.00 C ATOM 97 CG ARG A 22 -1.746 -3.247 -13.193 1.00 0.00 C ATOM 98 CD ARG A 22 -1.969 -4.696 -13.593 1.00 0.00 C ATOM 99 NE ARG A 22 -2.018 -4.864 -15.044 1.00 0.00 N ATOM 100 CZ ARG A 22 -0.939 -4.900 -15.822 1.00 0.00 C ATOM 101 NH1 ARG A 22 0.274 -4.779 -15.293 1.00 0.00 N ATOM 102 NH2 ARG A 22 -1.071 -5.057 -17.131 1.00 0.00 N ATOM 0 H ARG A 22 -4.217 -3.589 -13.215 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.862 -2.312 -10.598 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.454 -2.340 -11.277 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.179 -3.934 -11.214 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.301 -2.593 -13.866 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.691 -2.996 -13.303 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.168 -5.312 -13.184 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.901 -5.053 -13.155 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.932 -4.959 -15.486 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.381 -4.658 -14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.098 -4.807 -15.894 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.000 -5.150 -17.542 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.244 -5.085 -17.727 1.00 0.00 H new ATOM 116 N LEU A 23 -3.419 0.035 -11.290 1.00 0.00 N ATOM 117 CA LEU A 23 -3.372 1.442 -11.676 1.00 0.00 C ATOM 118 C LEU A 23 -2.173 2.142 -11.043 1.00 0.00 C ATOM 119 O LEU A 23 -1.803 1.856 -9.905 1.00 0.00 O ATOM 120 CB LEU A 23 -4.664 2.173 -11.282 1.00 0.00 C ATOM 121 CG LEU A 23 -5.728 1.310 -10.596 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.318 2.036 -9.398 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.822 0.930 -11.582 1.00 0.00 C ATOM 0 H LEU A 23 -3.356 -0.129 -10.285 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.270 1.476 -12.761 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.406 2.997 -10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.100 2.612 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.251 0.397 -10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.071 1.406 -8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.527 2.257 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.779 2.967 -9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.569 0.317 -11.078 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.294 1.834 -11.968 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.388 0.367 -12.408 1.00 0.00 H new ATOM 135 N ASN A 24 -1.578 3.067 -11.787 1.00 0.00 N ATOM 136 CA ASN A 24 -0.428 3.819 -11.298 1.00 0.00 C ATOM 137 C ASN A 24 -0.886 5.102 -10.616 1.00 0.00 C ATOM 138 O ASN A 24 -1.613 5.902 -11.206 1.00 0.00 O ATOM 139 CB ASN A 24 0.523 4.149 -12.451 1.00 0.00 C ATOM 140 CG ASN A 24 1.604 3.100 -12.628 1.00 0.00 C ATOM 141 OD1 ASN A 24 1.538 2.273 -13.538 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.605 3.129 -11.757 1.00 0.00 N ATOM 0 H ASN A 24 -1.873 3.315 -12.732 1.00 0.00 H new ATOM 0 HA ASN A 24 0.103 3.204 -10.571 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.048 4.238 -13.375 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.987 5.118 -12.269 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.361 2.448 -11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.618 3.833 -11.019 1.00 0.00 H new ATOM 149 N ILE A 25 -0.470 5.291 -9.369 1.00 0.00 N ATOM 150 CA ILE A 25 -0.855 6.476 -8.615 1.00 0.00 C ATOM 151 C ILE A 25 0.352 7.143 -7.966 1.00 0.00 C ATOM 152 O ILE A 25 0.983 6.576 -7.075 1.00 0.00 O ATOM 153 CB ILE A 25 -1.888 6.129 -7.524 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.049 5.338 -8.129 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.396 7.395 -6.849 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.849 4.562 -7.107 1.00 0.00 C ATOM 0 H ILE A 25 0.131 4.642 -8.861 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.302 7.171 -9.326 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.403 5.511 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.713 6.026 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.657 4.645 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.124 7.131 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.560 7.923 -6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.868 8.039 -7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.655 4.026 -7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.198 3.849 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.271 5.251 -6.376 1.00 0.00 H new ATOM 168 N GLN A 26 0.656 8.358 -8.409 1.00 0.00 N ATOM 169 CA GLN A 26 1.779 9.112 -7.865 1.00 0.00 C ATOM 170 C GLN A 26 1.277 10.197 -6.920 1.00 0.00 C ATOM 171 O GLN A 26 0.442 11.020 -7.293 1.00 0.00 O ATOM 172 CB GLN A 26 2.622 9.735 -8.983 1.00 0.00 C ATOM 173 CG GLN A 26 1.851 10.015 -10.263 1.00 0.00 C ATOM 174 CD GLN A 26 0.771 11.063 -10.076 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.386 10.738 -9.810 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.145 12.329 -10.215 1.00 0.00 N ATOM 0 H GLN A 26 0.140 8.842 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 26 2.412 8.420 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.053 10.668 -8.620 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.453 9.067 -9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.545 10.347 -11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.397 9.090 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.115 12.553 -10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.462 13.078 -10.101 1.00 0.00 H new ATOM 185 N LEU A 27 1.780 10.182 -5.692 1.00 0.00 N ATOM 186 CA LEU A 27 1.369 11.157 -4.690 1.00 0.00 C ATOM 187 C LEU A 27 2.501 12.113 -4.337 1.00 0.00 C ATOM 188 O LEU A 27 3.660 11.714 -4.238 1.00 0.00 O ATOM 189 CB LEU A 27 0.886 10.442 -3.430 1.00 0.00 C ATOM 190 CG LEU A 27 -0.121 9.319 -3.673 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.268 8.452 -2.432 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.466 9.893 -4.091 1.00 0.00 C ATOM 0 H LEU A 27 2.472 9.507 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 27 0.554 11.743 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.751 10.029 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.435 11.177 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 27 0.251 8.692 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.990 7.658 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.697 8.012 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.617 9.064 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.172 9.080 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.845 10.544 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.347 10.467 -5.010 1.00 0.00 H new ATOM 204 N LYS A 28 2.149 13.378 -4.140 1.00 0.00 N ATOM 205 CA LYS A 28 3.125 14.401 -3.788 1.00 0.00 C ATOM 206 C LYS A 28 3.414 14.377 -2.291 1.00 0.00 C ATOM 207 O LYS A 28 2.508 14.537 -1.473 1.00 0.00 O ATOM 208 CB LYS A 28 2.614 15.784 -4.197 1.00 0.00 C ATOM 209 CG LYS A 28 3.692 16.854 -4.196 1.00 0.00 C ATOM 210 CD LYS A 28 4.870 16.455 -5.068 1.00 0.00 C ATOM 211 CE LYS A 28 5.610 17.671 -5.598 1.00 0.00 C ATOM 212 NZ LYS A 28 6.679 17.295 -6.564 1.00 0.00 N ATOM 0 H LYS A 28 1.191 13.720 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 28 4.050 14.190 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.177 15.721 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.816 16.083 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.274 17.794 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.035 17.026 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.556 15.833 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.517 15.850 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.902 18.343 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.050 18.219 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.659 17.947 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.606 17.353 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.519 16.323 -6.897 1.00 0.00 H new ATOM 226 N LYS A 29 4.677 14.169 -1.938 1.00 0.00 N ATOM 227 CA LYS A 29 5.079 14.120 -0.538 1.00 0.00 C ATOM 228 C LYS A 29 4.741 15.428 0.175 1.00 0.00 C ATOM 229 O LYS A 29 4.946 16.513 -0.366 1.00 0.00 O ATOM 230 CB LYS A 29 6.578 13.831 -0.425 1.00 0.00 C ATOM 231 CG LYS A 29 6.889 12.447 0.121 1.00 0.00 C ATOM 232 CD LYS A 29 6.170 12.188 1.438 1.00 0.00 C ATOM 233 CE LYS A 29 7.144 12.050 2.598 1.00 0.00 C ATOM 234 NZ LYS A 29 7.064 10.706 3.233 1.00 0.00 N ATOM 0 H LYS A 29 5.440 14.032 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 29 4.525 13.315 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.035 13.936 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.037 14.579 0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.595 11.693 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.964 12.346 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.478 13.005 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.574 11.279 1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.160 12.223 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.932 12.817 3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.023 10.364 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.519 10.771 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.594 10.043 2.584 1.00 0.00 H new ATOM 284 N GLY A 33 2.902 12.370 5.828 1.00 0.00 N ATOM 285 CA GLY A 33 3.184 11.392 4.795 1.00 0.00 C ATOM 286 C GLY A 33 2.301 11.571 3.576 1.00 0.00 C ATOM 287 O GLY A 33 2.320 12.622 2.935 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.230 11.472 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.043 10.389 5.199 1.00 0.00 H new ATOM 291 N LEU A 34 1.522 10.544 3.255 1.00 0.00 N ATOM 292 CA LEU A 34 0.625 10.594 2.104 1.00 0.00 C ATOM 293 C LEU A 34 -0.824 10.317 2.510 1.00 0.00 C ATOM 294 O LEU A 34 -1.726 10.354 1.673 1.00 0.00 O ATOM 295 CB LEU A 34 1.073 9.587 1.044 1.00 0.00 C ATOM 296 CG LEU A 34 2.561 9.640 0.692 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.387 8.943 1.765 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.809 9.013 -0.673 1.00 0.00 C ATOM 0 H LEU A 34 1.493 9.667 3.775 1.00 0.00 H new ATOM 0 HA LEU A 34 0.671 11.601 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.833 8.583 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.494 9.755 0.136 1.00 0.00 H new ATOM 0 HG LEU A 34 2.870 10.684 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.443 8.990 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.232 9.439 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.078 7.900 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.873 9.060 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.486 7.972 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.247 9.558 -1.431 1.00 0.00 H new ATOM 310 N GLY A 35 -1.043 10.048 3.796 1.00 0.00 N ATOM 311 CA GLY A 35 -2.386 9.779 4.279 1.00 0.00 C ATOM 312 C GLY A 35 -2.890 8.405 3.885 1.00 0.00 C ATOM 313 O GLY A 35 -4.045 8.253 3.489 1.00 0.00 O ATOM 0 H GLY A 35 -0.315 10.012 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.401 9.868 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.066 10.536 3.888 1.00 0.00 H new ATOM 317 N PHE A 36 -2.028 7.401 3.996 1.00 0.00 N ATOM 318 CA PHE A 36 -2.406 6.038 3.647 1.00 0.00 C ATOM 319 C PHE A 36 -1.604 5.019 4.449 1.00 0.00 C ATOM 320 O PHE A 36 -0.375 5.073 4.493 1.00 0.00 O ATOM 321 CB PHE A 36 -2.219 5.800 2.142 1.00 0.00 C ATOM 322 CG PHE A 36 -0.800 5.504 1.739 1.00 0.00 C ATOM 323 CD1 PHE A 36 0.237 6.327 2.144 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.506 4.398 0.957 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.541 6.056 1.774 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.795 4.121 0.583 1.00 0.00 C ATOM 327 CZ PHE A 36 1.821 4.951 0.993 1.00 0.00 C ATOM 0 H PHE A 36 -1.067 7.505 4.323 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.459 5.908 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.854 4.969 1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.563 6.681 1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.025 7.191 2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.304 3.745 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.340 6.707 2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.010 3.257 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.839 4.737 0.704 1.00 0.00 H new ATOM 337 N SER A 37 -2.310 4.083 5.071 1.00 0.00 N ATOM 338 CA SER A 37 -1.671 3.039 5.858 1.00 0.00 C ATOM 339 C SER A 37 -1.733 1.716 5.107 1.00 0.00 C ATOM 340 O SER A 37 -2.770 1.360 4.551 1.00 0.00 O ATOM 341 CB SER A 37 -2.350 2.906 7.224 1.00 0.00 C ATOM 342 OG SER A 37 -1.416 3.075 8.276 1.00 0.00 O ATOM 0 H SER A 37 -3.328 4.027 5.045 1.00 0.00 H new ATOM 0 HA SER A 37 -0.627 3.309 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.142 3.649 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.821 1.927 7.306 1.00 0.00 H new ATOM 0 HG SER A 37 -1.874 2.987 9.138 1.00 0.00 H new ATOM 348 N ILE A 38 -0.617 0.998 5.078 1.00 0.00 N ATOM 349 CA ILE A 38 -0.560 -0.274 4.372 1.00 0.00 C ATOM 350 C ILE A 38 -0.500 -1.455 5.327 1.00 0.00 C ATOM 351 O ILE A 38 0.195 -1.422 6.342 1.00 0.00 O ATOM 352 CB ILE A 38 0.652 -0.347 3.432 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.926 0.052 4.174 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.434 0.539 2.215 1.00 0.00 C ATOM 355 CD1 ILE A 38 3.179 -0.069 3.336 1.00 0.00 C ATOM 0 H ILE A 38 0.254 1.273 5.532 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.479 -0.331 3.789 1.00 0.00 H new ATOM 0 HB ILE A 38 0.766 -1.375 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.828 1.081 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.031 -0.573 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.302 0.476 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.453 0.206 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.296 1.571 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.043 0.231 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.302 -1.103 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.096 0.577 2.462 1.00 0.00 H new ATOM 367 N THR A 39 -1.224 -2.507 4.975 1.00 0.00 N ATOM 368 CA THR A 39 -1.255 -3.728 5.771 1.00 0.00 C ATOM 369 C THR A 39 -0.400 -4.805 5.113 1.00 0.00 C ATOM 370 O THR A 39 0.026 -4.652 3.969 1.00 0.00 O ATOM 371 CB THR A 39 -2.693 -4.231 5.940 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.706 -5.599 6.306 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.534 -4.084 4.689 1.00 0.00 C ATOM 0 H THR A 39 -1.803 -2.540 4.136 1.00 0.00 H new ATOM 0 HA THR A 39 -0.850 -3.504 6.758 1.00 0.00 H new ATOM 0 HB THR A 39 -3.124 -3.607 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.632 -5.901 6.411 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.539 -4.460 4.880 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.587 -3.032 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.082 -4.654 3.878 1.00 0.00 H new ATOM 381 N SER A 40 -0.148 -5.889 5.836 1.00 0.00 N ATOM 382 CA SER A 40 0.662 -6.981 5.304 1.00 0.00 C ATOM 383 C SER A 40 -0.044 -8.321 5.470 1.00 0.00 C ATOM 384 O SER A 40 -0.554 -8.637 6.544 1.00 0.00 O ATOM 385 CB SER A 40 2.022 -7.017 6.003 1.00 0.00 C ATOM 386 OG SER A 40 1.900 -7.468 7.340 1.00 0.00 O ATOM 0 H SER A 40 -0.489 -6.037 6.786 1.00 0.00 H new ATOM 0 HA SER A 40 0.810 -6.803 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.698 -7.674 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.466 -6.022 5.991 1.00 0.00 H new ATOM 0 HG SER A 40 2.075 -6.724 7.953 1.00 0.00 H new ATOM 392 N ARG A 41 -0.065 -9.107 4.399 1.00 0.00 N ATOM 393 CA ARG A 41 -0.706 -10.417 4.422 1.00 0.00 C ATOM 394 C ARG A 41 -0.106 -11.305 5.512 1.00 0.00 C ATOM 395 O ARG A 41 -0.737 -12.264 5.959 1.00 0.00 O ATOM 396 CB ARG A 41 -0.568 -11.097 3.060 1.00 0.00 C ATOM 397 CG ARG A 41 -1.898 -11.336 2.362 1.00 0.00 C ATOM 398 CD ARG A 41 -2.689 -12.443 3.039 1.00 0.00 C ATOM 399 NE ARG A 41 -4.034 -12.572 2.487 1.00 0.00 N ATOM 400 CZ ARG A 41 -4.928 -13.464 2.910 1.00 0.00 C ATOM 401 NH1 ARG A 41 -4.623 -14.304 3.891 1.00 0.00 N ATOM 402 NH2 ARG A 41 -6.130 -13.514 2.353 1.00 0.00 N ATOM 0 H ARG A 41 0.355 -8.859 3.503 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.763 -10.271 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.064 -10.483 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.058 -12.052 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.482 -10.416 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.721 -11.599 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.159 -13.389 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.754 -12.240 4.108 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.305 -11.942 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.700 -14.268 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.311 -14.985 4.211 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.370 -12.869 1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.814 -14.197 2.677 1.00 0.00 H new ATOM 491 N SER A 48 8.669 -12.611 1.348 1.00 0.00 N ATOM 492 CA SER A 48 7.686 -12.335 0.305 1.00 0.00 C ATOM 493 C SER A 48 6.278 -12.256 0.887 1.00 0.00 C ATOM 494 O SER A 48 5.713 -13.265 1.308 1.00 0.00 O ATOM 495 CB SER A 48 7.742 -13.416 -0.774 1.00 0.00 C ATOM 496 OG SER A 48 7.776 -14.710 -0.199 1.00 0.00 O ATOM 0 HA SER A 48 7.929 -11.370 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.874 -13.328 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.625 -13.268 -1.396 1.00 0.00 H new ATOM 0 HG SER A 48 8.104 -14.650 0.723 1.00 0.00 H new ATOM 502 N ALA A 49 5.717 -11.051 0.903 1.00 0.00 N ATOM 503 CA ALA A 49 4.374 -10.839 1.431 1.00 0.00 C ATOM 504 C ALA A 49 3.693 -9.661 0.733 1.00 0.00 C ATOM 505 O ALA A 49 4.233 -8.555 0.707 1.00 0.00 O ATOM 506 CB ALA A 49 4.428 -10.605 2.934 1.00 0.00 C ATOM 0 H ALA A 49 6.172 -10.206 0.556 1.00 0.00 H new ATOM 0 HA ALA A 49 3.786 -11.736 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.419 -10.448 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.869 -11.474 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.035 -9.725 3.144 1.00 0.00 H new ATOM 512 N PRO A 50 2.498 -9.879 0.154 1.00 0.00 N ATOM 513 CA PRO A 50 1.761 -8.820 -0.544 1.00 0.00 C ATOM 514 C PRO A 50 1.285 -7.720 0.402 1.00 0.00 C ATOM 515 O PRO A 50 0.811 -7.995 1.507 1.00 0.00 O ATOM 516 CB PRO A 50 0.566 -9.553 -1.161 1.00 0.00 C ATOM 517 CG PRO A 50 0.398 -10.782 -0.337 1.00 0.00 C ATOM 518 CD PRO A 50 1.776 -11.164 0.129 1.00 0.00 C ATOM 0 HA PRO A 50 2.386 -8.311 -1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.332 -8.935 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.752 -9.801 -2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.262 -10.596 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.052 -11.584 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.752 -11.630 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.246 -11.876 -0.549 1.00 0.00 H new ATOM 526 N ILE A 51 1.431 -6.472 -0.037 1.00 0.00 N ATOM 527 CA ILE A 51 1.030 -5.320 0.762 1.00 0.00 C ATOM 528 C ILE A 51 -0.264 -4.698 0.239 1.00 0.00 C ATOM 529 O ILE A 51 -0.430 -4.507 -0.965 1.00 0.00 O ATOM 530 CB ILE A 51 2.136 -4.247 0.761 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.481 -4.872 1.154 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.767 -3.096 1.687 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.749 -4.888 2.647 1.00 0.00 C ATOM 0 H ILE A 51 1.826 -6.234 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 51 0.864 -5.677 1.778 1.00 0.00 H new ATOM 0 HB ILE A 51 2.233 -3.842 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.516 -5.895 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.282 -4.323 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.560 -2.349 1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.835 -2.642 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.641 -3.472 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.720 -5.346 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.749 -3.867 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.971 -5.463 3.150 1.00 0.00 H new ATOM 545 N TYR A 52 -1.173 -4.377 1.157 1.00 0.00 N ATOM 546 CA TYR A 52 -2.449 -3.765 0.794 1.00 0.00 C ATOM 547 C TYR A 52 -2.649 -2.449 1.537 1.00 0.00 C ATOM 548 O TYR A 52 -1.851 -2.087 2.401 1.00 0.00 O ATOM 549 CB TYR A 52 -3.613 -4.711 1.107 1.00 0.00 C ATOM 550 CG TYR A 52 -3.374 -6.145 0.693 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.697 -6.450 -0.479 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.832 -7.196 1.477 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.480 -7.762 -0.859 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.622 -8.510 1.105 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.945 -8.788 -0.064 1.00 0.00 C ATOM 556 OH TYR A 52 -2.734 -10.095 -0.438 1.00 0.00 O ATOM 0 H TYR A 52 -1.050 -4.531 2.158 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.429 -3.568 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.812 -4.682 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.509 -4.345 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.333 -5.649 -1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.362 -6.982 2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.949 -7.982 -1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.986 -9.315 1.726 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.244 -10.117 -1.286 1.00 0.00 H new ATOM 566 N VAL A 53 -3.724 -1.739 1.202 1.00 0.00 N ATOM 567 CA VAL A 53 -4.031 -0.469 1.849 1.00 0.00 C ATOM 568 C VAL A 53 -4.894 -0.692 3.086 1.00 0.00 C ATOM 569 O VAL A 53 -6.108 -0.860 2.988 1.00 0.00 O ATOM 570 CB VAL A 53 -4.759 0.494 0.891 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.954 1.855 1.546 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.990 0.630 -0.415 1.00 0.00 C ATOM 0 H VAL A 53 -4.395 -2.022 0.488 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.082 -0.019 2.140 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.742 0.080 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.470 2.521 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.549 1.741 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.983 2.278 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.519 1.314 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.993 1.021 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.907 -0.347 -0.892 1.00 0.00 H new ATOM 582 N LYS A 54 -4.251 -0.698 4.249 1.00 0.00 N ATOM 583 CA LYS A 54 -4.949 -0.907 5.510 1.00 0.00 C ATOM 584 C LYS A 54 -5.940 0.218 5.788 1.00 0.00 C ATOM 585 O LYS A 54 -6.974 0.002 6.420 1.00 0.00 O ATOM 586 CB LYS A 54 -3.947 -1.009 6.660 1.00 0.00 C ATOM 587 CG LYS A 54 -4.584 -1.350 7.998 1.00 0.00 C ATOM 588 CD LYS A 54 -5.462 -2.588 7.900 1.00 0.00 C ATOM 589 CE LYS A 54 -5.476 -3.368 9.205 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.623 -4.585 9.132 1.00 0.00 N ATOM 0 H LYS A 54 -3.245 -0.560 4.343 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.505 -1.841 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.205 -1.769 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.415 -0.062 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.804 -1.514 8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.181 -0.506 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.479 -2.294 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.100 -3.229 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.126 -2.728 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.500 -3.656 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.659 -5.089 10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.972 -5.208 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.641 -4.309 8.928 1.00 0.00 H new ATOM 604 N ASN A 55 -5.617 1.420 5.322 1.00 0.00 N ATOM 605 CA ASN A 55 -6.493 2.570 5.539 1.00 0.00 C ATOM 606 C ASN A 55 -5.989 3.816 4.819 1.00 0.00 C ATOM 607 O ASN A 55 -4.821 3.907 4.443 1.00 0.00 O ATOM 608 CB ASN A 55 -6.619 2.856 7.037 1.00 0.00 C ATOM 609 CG ASN A 55 -7.946 3.496 7.394 1.00 0.00 C ATOM 610 OD1 ASN A 55 -8.444 4.361 6.676 1.00 0.00 O ATOM 611 ND2 ASN A 55 -8.527 3.069 8.510 1.00 0.00 N ATOM 0 H ASN A 55 -4.766 1.624 4.798 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.470 2.319 5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.507 1.925 7.592 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.807 3.513 7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.422 3.461 8.801 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.078 2.349 9.076 1.00 0.00 H new ATOM 618 N ILE A 56 -6.890 4.778 4.642 1.00 0.00 N ATOM 619 CA ILE A 56 -6.564 6.037 3.982 1.00 0.00 C ATOM 620 C ILE A 56 -6.875 7.211 4.907 1.00 0.00 C ATOM 621 O ILE A 56 -8.035 7.584 5.081 1.00 0.00 O ATOM 622 CB ILE A 56 -7.344 6.204 2.661 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.053 5.036 1.720 1.00 0.00 C ATOM 624 CG2 ILE A 56 -6.994 7.530 1.996 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.622 4.996 1.226 1.00 0.00 C ATOM 0 H ILE A 56 -7.860 4.707 4.950 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.499 6.021 3.751 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.410 6.207 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.277 4.102 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.723 5.096 0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.554 7.630 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.252 8.351 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.926 7.559 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.490 4.141 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.399 5.914 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.946 4.904 2.076 1.00 0.00 H new ATOM 637 N LEU A 57 -5.834 7.778 5.506 1.00 0.00 N ATOM 638 CA LEU A 57 -5.999 8.899 6.424 1.00 0.00 C ATOM 639 C LEU A 57 -6.536 10.135 5.702 1.00 0.00 C ATOM 640 O LEU A 57 -6.183 10.394 4.552 1.00 0.00 O ATOM 641 CB LEU A 57 -4.671 9.214 7.110 1.00 0.00 C ATOM 642 CG LEU A 57 -3.885 7.988 7.577 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.602 8.407 8.276 1.00 0.00 C ATOM 644 CD2 LEU A 57 -4.737 7.121 8.495 1.00 0.00 C ATOM 0 H LEU A 57 -4.868 7.480 5.373 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.730 8.614 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.049 9.786 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.865 9.853 7.971 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.619 7.399 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.058 7.520 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.983 8.981 7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.844 9.021 9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.159 6.254 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.037 7.701 9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.625 6.787 7.959 1.00 0.00 H new ATOM 656 N PRO A 58 -7.411 10.910 6.371 1.00 0.00 N ATOM 657 CA PRO A 58 -8.011 12.119 5.788 1.00 0.00 C ATOM 658 C PRO A 58 -7.039 13.291 5.689 1.00 0.00 C ATOM 659 O PRO A 58 -7.395 14.353 5.179 1.00 0.00 O ATOM 660 CB PRO A 58 -9.143 12.450 6.761 1.00 0.00 C ATOM 661 CG PRO A 58 -8.684 11.906 8.067 1.00 0.00 C ATOM 662 CD PRO A 58 -7.893 10.666 7.745 1.00 0.00 C ATOM 0 HA PRO A 58 -8.334 11.947 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.316 13.525 6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.081 11.992 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.070 12.633 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.531 11.672 8.712 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.066 10.526 8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.511 9.770 7.800 1.00 0.00 H new ATOM 670 N ARG A 59 -5.816 13.102 6.172 1.00 0.00 N ATOM 671 CA ARG A 59 -4.816 14.160 6.125 1.00 0.00 C ATOM 672 C ARG A 59 -3.557 13.692 5.405 1.00 0.00 C ATOM 673 O ARG A 59 -2.534 13.420 6.032 1.00 0.00 O ATOM 674 CB ARG A 59 -4.468 14.630 7.538 1.00 0.00 C ATOM 675 CG ARG A 59 -5.644 15.246 8.281 1.00 0.00 C ATOM 676 CD ARG A 59 -6.131 14.348 9.407 1.00 0.00 C ATOM 677 NE ARG A 59 -7.407 14.799 9.956 1.00 0.00 N ATOM 678 CZ ARG A 59 -7.528 15.807 10.818 1.00 0.00 C ATOM 679 NH1 ARG A 59 -6.455 16.469 11.230 1.00 0.00 N ATOM 680 NH2 ARG A 59 -8.726 16.154 11.268 1.00 0.00 N ATOM 0 H ARG A 59 -5.496 12.232 6.598 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.239 14.996 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.090 13.783 8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.662 15.361 7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.351 16.214 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.460 15.429 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.236 13.328 9.037 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.384 14.324 10.200 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.255 14.314 9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.531 16.207 10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.554 17.240 11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.555 15.649 10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.819 16.926 11.928 1.00 0.00 H new ATOM 694 N GLY A 60 -3.642 13.605 4.083 1.00 0.00 N ATOM 695 CA GLY A 60 -2.503 13.174 3.294 1.00 0.00 C ATOM 696 C GLY A 60 -2.646 13.527 1.829 1.00 0.00 C ATOM 697 O GLY A 60 -3.669 14.069 1.410 1.00 0.00 O ATOM 0 H GLY A 60 -4.479 13.825 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.597 13.634 3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.383 12.095 3.394 1.00 0.00 H new ATOM 701 N ALA A 61 -1.614 13.226 1.051 1.00 0.00 N ATOM 702 CA ALA A 61 -1.622 13.518 -0.377 1.00 0.00 C ATOM 703 C ALA A 61 -2.493 12.537 -1.151 1.00 0.00 C ATOM 704 O ALA A 61 -3.009 12.865 -2.218 1.00 0.00 O ATOM 705 CB ALA A 61 -0.203 13.514 -0.925 1.00 0.00 C ATOM 0 H ALA A 61 -0.760 12.779 1.385 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.052 14.511 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.225 13.734 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.388 14.272 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.246 12.534 -0.765 1.00 0.00 H new ATOM 711 N ALA A 62 -2.652 11.332 -0.619 1.00 0.00 N ATOM 712 CA ALA A 62 -3.460 10.319 -1.283 1.00 0.00 C ATOM 713 C ALA A 62 -4.939 10.687 -1.253 1.00 0.00 C ATOM 714 O ALA A 62 -5.590 10.749 -2.294 1.00 0.00 O ATOM 715 CB ALA A 62 -3.238 8.955 -0.649 1.00 0.00 C ATOM 0 H ALA A 62 -2.236 11.034 0.263 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.146 10.272 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.851 8.212 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.187 8.680 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.517 8.993 0.404 1.00 0.00 H new ATOM 721 N ILE A 63 -5.464 10.926 -0.059 1.00 0.00 N ATOM 722 CA ILE A 63 -6.865 11.281 0.090 1.00 0.00 C ATOM 723 C ILE A 63 -7.175 12.624 -0.570 1.00 0.00 C ATOM 724 O ILE A 63 -8.247 12.802 -1.148 1.00 0.00 O ATOM 725 CB ILE A 63 -7.286 11.295 1.573 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.706 10.753 1.690 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.173 12.689 2.183 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.089 10.368 3.097 1.00 0.00 C ATOM 0 H ILE A 63 -4.942 10.880 0.816 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.447 10.514 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.606 10.657 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.405 11.505 1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.808 9.882 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.479 12.655 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.140 13.032 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.819 13.378 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.112 9.991 3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.413 9.593 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.019 11.242 3.745 1.00 0.00 H new ATOM 740 N GLN A 64 -6.237 13.566 -0.492 1.00 0.00 N ATOM 741 CA GLN A 64 -6.442 14.873 -1.100 1.00 0.00 C ATOM 742 C GLN A 64 -6.367 14.778 -2.622 1.00 0.00 C ATOM 743 O GLN A 64 -7.078 15.490 -3.333 1.00 0.00 O ATOM 744 CB GLN A 64 -5.425 15.888 -0.573 1.00 0.00 C ATOM 745 CG GLN A 64 -4.044 15.741 -1.173 1.00 0.00 C ATOM 746 CD GLN A 64 -3.795 16.705 -2.315 1.00 0.00 C ATOM 747 OE1 GLN A 64 -3.524 16.167 -3.498 1.00 0.00 O flip ATOM 748 NE2 GLN A 64 -3.846 17.923 -2.136 1.00 0.00 N flip ATOM 0 H GLN A 64 -5.340 13.449 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.439 15.219 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.793 16.894 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.353 15.786 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.296 15.903 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.915 14.720 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.058 18.294 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.676 18.560 -2.914 1.00 0.00 H new ATOM 757 N ASP A 65 -5.508 13.888 -3.118 1.00 0.00 N ATOM 758 CA ASP A 65 -5.353 13.701 -4.555 1.00 0.00 C ATOM 759 C ASP A 65 -6.572 12.998 -5.144 1.00 0.00 C ATOM 760 O ASP A 65 -7.017 13.321 -6.246 1.00 0.00 O ATOM 761 CB ASP A 65 -4.088 12.894 -4.856 1.00 0.00 C ATOM 762 CG ASP A 65 -3.779 12.836 -6.339 1.00 0.00 C ATOM 763 OD1 ASP A 65 -4.277 13.705 -7.085 1.00 0.00 O ATOM 764 OD2 ASP A 65 -3.037 11.921 -6.756 1.00 0.00 O ATOM 0 H ASP A 65 -4.912 13.289 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.263 14.684 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.243 13.337 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.207 11.881 -4.472 1.00 0.00 H new ATOM 769 N GLY A 66 -7.104 12.032 -4.401 1.00 0.00 N ATOM 770 CA GLY A 66 -8.264 11.293 -4.863 1.00 0.00 C ATOM 771 C GLY A 66 -7.924 10.315 -5.970 1.00 0.00 C ATOM 772 O GLY A 66 -8.434 10.424 -7.085 1.00 0.00 O ATOM 0 H GLY A 66 -6.752 11.748 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.703 10.751 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.019 11.994 -5.220 1.00 0.00 H new ATOM 776 N ARG A 67 -7.054 9.355 -5.662 1.00 0.00 N ATOM 777 CA ARG A 67 -6.644 8.356 -6.640 1.00 0.00 C ATOM 778 C ARG A 67 -6.576 6.969 -6.013 1.00 0.00 C ATOM 779 O ARG A 67 -7.271 6.047 -6.439 1.00 0.00 O ATOM 780 CB ARG A 67 -5.287 8.726 -7.239 1.00 0.00 C ATOM 781 CG ARG A 67 -5.264 10.101 -7.885 1.00 0.00 C ATOM 782 CD ARG A 67 -4.255 10.171 -9.021 1.00 0.00 C ATOM 783 NE ARG A 67 -4.898 10.411 -10.311 1.00 0.00 N ATOM 784 CZ ARG A 67 -4.233 10.660 -11.436 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.907 10.701 -11.436 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.896 10.867 -12.567 1.00 0.00 N ATOM 0 H ARG A 67 -6.622 9.250 -4.744 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.391 8.336 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.531 8.689 -6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.012 7.979 -7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.257 10.342 -8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.019 10.852 -7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.538 10.967 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.693 9.238 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.917 10.386 -10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.392 10.541 -10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.403 10.892 -12.302 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.915 10.835 -12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.386 11.058 -13.429 1.00 0.00 H new ATOM 800 N LEU A 68 -5.731 6.829 -4.999 1.00 0.00 N ATOM 801 CA LEU A 68 -5.568 5.554 -4.312 1.00 0.00 C ATOM 802 C LEU A 68 -6.410 5.513 -3.038 1.00 0.00 C ATOM 803 O LEU A 68 -6.253 6.348 -2.147 1.00 0.00 O ATOM 804 CB LEU A 68 -4.080 5.312 -4.006 1.00 0.00 C ATOM 805 CG LEU A 68 -3.733 4.976 -2.553 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.268 3.602 -2.180 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.228 5.038 -2.339 1.00 0.00 C ATOM 0 H LEU A 68 -5.148 7.582 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.921 4.754 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.728 4.497 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.522 6.203 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.205 5.715 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.012 3.381 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.352 3.590 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.825 2.850 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.998 4.797 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.737 4.320 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.869 6.042 -2.566 1.00 0.00 H new ATOM 819 N LYS A 69 -7.310 4.537 -2.965 1.00 0.00 N ATOM 820 CA LYS A 69 -8.181 4.384 -1.808 1.00 0.00 C ATOM 821 C LYS A 69 -7.810 3.142 -1.005 1.00 0.00 C ATOM 822 O LYS A 69 -6.768 2.530 -1.238 1.00 0.00 O ATOM 823 CB LYS A 69 -9.634 4.297 -2.261 1.00 0.00 C ATOM 824 CG LYS A 69 -10.293 5.653 -2.424 1.00 0.00 C ATOM 825 CD LYS A 69 -11.510 5.555 -3.317 1.00 0.00 C ATOM 826 CE LYS A 69 -11.949 6.920 -3.821 1.00 0.00 C ATOM 827 NZ LYS A 69 -12.329 6.885 -5.261 1.00 0.00 N ATOM 0 H LYS A 69 -7.454 3.840 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.054 5.255 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.680 3.762 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.199 3.711 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.583 6.041 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.580 6.360 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.288 4.908 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.328 5.090 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.796 7.270 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.141 7.637 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.622 7.835 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.514 6.576 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.117 6.220 -5.396 1.00 0.00 H new ATOM 841 N ALA A 70 -8.669 2.774 -0.060 1.00 0.00 N ATOM 842 CA ALA A 70 -8.429 1.603 0.775 1.00 0.00 C ATOM 843 C ALA A 70 -8.812 0.321 0.044 1.00 0.00 C ATOM 844 O ALA A 70 -9.629 0.341 -0.877 1.00 0.00 O ATOM 845 CB ALA A 70 -9.199 1.719 2.081 1.00 0.00 C ATOM 0 H ALA A 70 -9.536 3.269 0.146 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.363 1.558 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.010 0.838 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.874 2.611 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.266 1.792 1.869 1.00 0.00 H new ATOM 851 N GLY A 71 -8.218 -0.793 0.460 1.00 0.00 N ATOM 852 CA GLY A 71 -8.512 -2.068 -0.168 1.00 0.00 C ATOM 853 C GLY A 71 -7.682 -2.317 -1.415 1.00 0.00 C ATOM 854 O GLY A 71 -7.785 -3.375 -2.034 1.00 0.00 O ATOM 0 H GLY A 71 -7.539 -0.836 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.333 -2.870 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.570 -2.104 -0.428 1.00 0.00 H new ATOM 858 N ASP A 72 -6.857 -1.341 -1.787 1.00 0.00 N ATOM 859 CA ASP A 72 -6.009 -1.467 -2.968 1.00 0.00 C ATOM 860 C ASP A 72 -4.839 -2.407 -2.696 1.00 0.00 C ATOM 861 O ASP A 72 -4.386 -2.536 -1.559 1.00 0.00 O ATOM 862 CB ASP A 72 -5.490 -0.092 -3.396 1.00 0.00 C ATOM 863 CG ASP A 72 -5.829 0.231 -4.838 1.00 0.00 C ATOM 864 OD1 ASP A 72 -5.471 -0.571 -5.725 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.451 1.287 -5.080 1.00 0.00 O ATOM 0 H ASP A 72 -6.758 -0.457 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.608 -1.887 -3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.915 0.672 -2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.409 -0.058 -3.263 1.00 0.00 H new ATOM 870 N ARG A 73 -4.356 -3.062 -3.745 1.00 0.00 N ATOM 871 CA ARG A 73 -3.239 -3.991 -3.617 1.00 0.00 C ATOM 872 C ARG A 73 -1.959 -3.387 -4.191 1.00 0.00 C ATOM 873 O ARG A 73 -1.782 -3.324 -5.408 1.00 0.00 O ATOM 874 CB ARG A 73 -3.565 -5.311 -4.323 1.00 0.00 C ATOM 875 CG ARG A 73 -3.813 -6.467 -3.367 1.00 0.00 C ATOM 876 CD ARG A 73 -4.822 -7.452 -3.935 1.00 0.00 C ATOM 877 NE ARG A 73 -5.334 -8.364 -2.914 1.00 0.00 N ATOM 878 CZ ARG A 73 -6.301 -8.050 -2.056 1.00 0.00 C ATOM 879 NH1 ARG A 73 -6.866 -6.849 -2.090 1.00 0.00 N ATOM 880 NH2 ARG A 73 -6.707 -8.939 -1.161 1.00 0.00 N ATOM 0 H ARG A 73 -4.720 -2.967 -4.693 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.078 -4.187 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.447 -5.171 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.742 -5.571 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.874 -6.982 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.176 -6.081 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.652 -6.904 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.355 -8.028 -4.734 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.926 -9.297 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.559 -6.160 -2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.607 -6.615 -1.429 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.278 -9.864 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.448 -8.698 -0.503 1.00 0.00 H new ATOM 894 N LEU A 74 -1.074 -2.942 -3.305 1.00 0.00 N ATOM 895 CA LEU A 74 0.191 -2.338 -3.711 1.00 0.00 C ATOM 896 C LEU A 74 1.051 -3.329 -4.486 1.00 0.00 C ATOM 897 O LEU A 74 1.501 -4.336 -3.943 1.00 0.00 O ATOM 898 CB LEU A 74 0.952 -1.840 -2.481 1.00 0.00 C ATOM 899 CG LEU A 74 0.641 -0.401 -2.066 1.00 0.00 C ATOM 900 CD1 LEU A 74 -0.370 -0.379 -0.929 1.00 0.00 C ATOM 901 CD2 LEU A 74 1.916 0.326 -1.661 1.00 0.00 C ATOM 0 H LEU A 74 -1.210 -2.989 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.032 -1.495 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.729 -2.500 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.021 -1.923 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 74 0.207 0.117 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.579 0.653 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.293 -0.860 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.036 -0.914 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.675 1.348 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.379 -0.192 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.608 0.343 -2.503 1.00 0.00 H new ATOM 913 N ILE A 75 1.280 -3.026 -5.759 1.00 0.00 N ATOM 914 CA ILE A 75 2.093 -3.877 -6.614 1.00 0.00 C ATOM 915 C ILE A 75 3.517 -3.342 -6.720 1.00 0.00 C ATOM 916 O ILE A 75 4.465 -4.103 -6.919 1.00 0.00 O ATOM 917 CB ILE A 75 1.493 -3.994 -8.024 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.035 -4.450 -7.928 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.315 -4.960 -8.874 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.506 -5.042 -9.209 1.00 0.00 C ATOM 0 H ILE A 75 0.912 -2.194 -6.221 1.00 0.00 H new ATOM 0 HA ILE A 75 2.111 -4.865 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 75 1.520 -3.018 -8.508 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.053 -5.189 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.584 -3.599 -7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.877 -5.032 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.339 -4.594 -8.953 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.317 -5.945 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.544 -5.341 -9.062 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.452 -4.299 -10.005 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.087 -5.914 -9.486 1.00 0.00 H new ATOM 932 N GLU A 76 3.663 -2.025 -6.589 1.00 0.00 N ATOM 933 CA GLU A 76 4.979 -1.396 -6.678 1.00 0.00 C ATOM 934 C GLU A 76 4.997 -0.031 -5.995 1.00 0.00 C ATOM 935 O GLU A 76 3.961 0.613 -5.835 1.00 0.00 O ATOM 936 CB GLU A 76 5.390 -1.245 -8.146 1.00 0.00 C ATOM 937 CG GLU A 76 6.314 -2.348 -8.636 1.00 0.00 C ATOM 938 CD GLU A 76 6.027 -2.754 -10.069 1.00 0.00 C ATOM 939 OE1 GLU A 76 6.423 -2.007 -10.988 1.00 0.00 O ATOM 940 OE2 GLU A 76 5.408 -3.820 -10.270 1.00 0.00 O ATOM 0 H GLU A 76 2.893 -1.377 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 76 5.690 -2.041 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.494 -1.231 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.884 -0.283 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.348 -2.013 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.211 -3.218 -7.988 1.00 0.00 H new ATOM 947 N VAL A 77 6.191 0.404 -5.602 1.00 0.00 N ATOM 948 CA VAL A 77 6.370 1.694 -4.942 1.00 0.00 C ATOM 949 C VAL A 77 7.629 2.388 -5.456 1.00 0.00 C ATOM 950 O VAL A 77 8.718 1.817 -5.420 1.00 0.00 O ATOM 951 CB VAL A 77 6.470 1.538 -3.408 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.654 2.892 -2.738 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.243 0.826 -2.858 1.00 0.00 C ATOM 0 H VAL A 77 7.055 -0.123 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 77 5.494 2.299 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 77 7.345 0.928 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.722 2.758 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.569 3.358 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.803 3.532 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.334 0.727 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.350 1.404 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.165 -0.164 -3.308 1.00 0.00 H new ATOM 963 N ASN A 78 7.475 3.618 -5.937 1.00 0.00 N ATOM 964 CA ASN A 78 8.604 4.380 -6.462 1.00 0.00 C ATOM 965 C ASN A 78 9.354 3.582 -7.525 1.00 0.00 C ATOM 966 O ASN A 78 10.563 3.739 -7.697 1.00 0.00 O ATOM 967 CB ASN A 78 9.558 4.765 -5.329 1.00 0.00 C ATOM 968 CG ASN A 78 8.974 5.826 -4.416 1.00 0.00 C ATOM 969 OD1 ASN A 78 8.619 5.547 -3.270 1.00 0.00 O ATOM 970 ND2 ASN A 78 8.870 7.050 -4.920 1.00 0.00 N ATOM 0 H ASN A 78 6.581 4.108 -5.974 1.00 0.00 H new ATOM 0 HA ASN A 78 8.214 5.287 -6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.798 3.878 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.493 5.130 -5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.483 7.804 -4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.177 7.236 -5.875 1.00 0.00 H new ATOM 977 N GLY A 79 8.627 2.726 -8.234 1.00 0.00 N ATOM 978 CA GLY A 79 9.233 1.914 -9.272 1.00 0.00 C ATOM 979 C GLY A 79 9.914 0.671 -8.726 1.00 0.00 C ATOM 980 O GLY A 79 10.740 0.062 -9.405 1.00 0.00 O ATOM 0 H GLY A 79 7.625 2.580 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.467 1.618 -9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.963 2.513 -9.816 1.00 0.00 H new ATOM 984 N VAL A 80 9.567 0.291 -7.499 1.00 0.00 N ATOM 985 CA VAL A 80 10.154 -0.885 -6.872 1.00 0.00 C ATOM 986 C VAL A 80 9.147 -2.026 -6.783 1.00 0.00 C ATOM 987 O VAL A 80 7.979 -1.816 -6.456 1.00 0.00 O ATOM 988 CB VAL A 80 10.679 -0.568 -5.456 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.181 -1.832 -4.766 1.00 0.00 C ATOM 990 CG2 VAL A 80 11.776 0.479 -5.518 1.00 0.00 C ATOM 0 H VAL A 80 8.883 0.781 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 80 10.989 -1.190 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 80 9.853 -0.168 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.546 -1.582 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.365 -2.550 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.991 -2.268 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.135 0.690 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.600 0.107 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.382 1.393 -5.962 1.00 0.00 H new ATOM 1000 N ASP A 81 9.616 -3.238 -7.061 1.00 0.00 N ATOM 1001 CA ASP A 81 8.766 -4.417 -6.999 1.00 0.00 C ATOM 1002 C ASP A 81 8.495 -4.797 -5.550 1.00 0.00 C ATOM 1003 O ASP A 81 9.415 -5.122 -4.799 1.00 0.00 O ATOM 1004 CB ASP A 81 9.424 -5.587 -7.733 1.00 0.00 C ATOM 1005 CG ASP A 81 10.791 -5.924 -7.172 1.00 0.00 C ATOM 1006 OD1 ASP A 81 11.777 -5.271 -7.574 1.00 0.00 O ATOM 1007 OD2 ASP A 81 10.877 -6.841 -6.329 1.00 0.00 O ATOM 0 H ASP A 81 10.581 -3.427 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 81 7.818 -4.186 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.780 -6.464 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.518 -5.342 -8.791 1.00 0.00 H new ATOM 1012 N LEU A 82 7.226 -4.751 -5.158 1.00 0.00 N ATOM 1013 CA LEU A 82 6.837 -5.089 -3.794 1.00 0.00 C ATOM 1014 C LEU A 82 6.601 -6.589 -3.638 1.00 0.00 C ATOM 1015 O LEU A 82 5.969 -7.029 -2.678 1.00 0.00 O ATOM 1016 CB LEU A 82 5.579 -4.318 -3.398 1.00 0.00 C ATOM 1017 CG LEU A 82 5.730 -2.796 -3.400 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.372 -2.125 -3.274 1.00 0.00 C ATOM 1019 CD2 LEU A 82 6.657 -2.350 -2.278 1.00 0.00 C ATOM 0 H LEU A 82 6.451 -4.483 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 82 7.656 -4.806 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.774 -4.590 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.273 -4.637 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 82 6.173 -2.495 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.499 -1.042 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.742 -2.419 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.900 -2.432 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.753 -1.264 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.244 -2.663 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.639 -2.803 -2.416 1.00 0.00 H new ATOM 1031 N ALA A 83 7.119 -7.373 -4.579 1.00 0.00 N ATOM 1032 CA ALA A 83 6.966 -8.821 -4.531 1.00 0.00 C ATOM 1033 C ALA A 83 8.243 -9.479 -4.022 1.00 0.00 C ATOM 1034 O ALA A 83 9.092 -9.900 -4.807 1.00 0.00 O ATOM 1035 CB ALA A 83 6.595 -9.365 -5.900 1.00 0.00 C ATOM 0 H ALA A 83 7.647 -7.030 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 83 6.159 -9.057 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.485 -10.448 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.654 -8.921 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.379 -9.117 -6.615 1.00 0.00 H new ATOM 1041 N GLY A 84 8.372 -9.555 -2.704 1.00 0.00 N ATOM 1042 CA GLY A 84 9.549 -10.153 -2.106 1.00 0.00 C ATOM 1043 C GLY A 84 10.288 -9.180 -1.207 1.00 0.00 C ATOM 1044 O GLY A 84 11.511 -9.244 -1.086 1.00 0.00 O ATOM 0 H GLY A 84 7.681 -9.212 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.256 -11.029 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.219 -10.500 -2.893 1.00 0.00 H new ATOM 1048 N LYS A 85 9.542 -8.276 -0.579 1.00 0.00 N ATOM 1049 CA LYS A 85 10.127 -7.280 0.308 1.00 0.00 C ATOM 1050 C LYS A 85 9.675 -7.512 1.756 1.00 0.00 C ATOM 1051 O LYS A 85 10.041 -8.517 2.367 1.00 0.00 O ATOM 1052 CB LYS A 85 9.755 -5.874 -0.172 1.00 0.00 C ATOM 1053 CG LYS A 85 10.156 -5.598 -1.613 1.00 0.00 C ATOM 1054 CD LYS A 85 11.146 -4.446 -1.713 1.00 0.00 C ATOM 1055 CE LYS A 85 10.588 -3.170 -1.097 1.00 0.00 C ATOM 1056 NZ LYS A 85 11.580 -2.503 -0.210 1.00 0.00 N ATOM 0 H LYS A 85 8.528 -8.214 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 85 11.212 -7.376 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.678 -5.737 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.232 -5.139 0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.598 -6.496 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.267 -5.366 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.073 -4.718 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.392 -4.267 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.291 -2.484 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.690 -3.405 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.123 -2.241 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.368 -3.154 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.943 -1.647 -0.677 1.00 0.00 H new ATOM 1070 N SER A 86 8.883 -6.589 2.304 1.00 0.00 N ATOM 1071 CA SER A 86 8.397 -6.712 3.674 1.00 0.00 C ATOM 1072 C SER A 86 7.539 -5.509 4.046 1.00 0.00 C ATOM 1073 O SER A 86 7.550 -4.491 3.356 1.00 0.00 O ATOM 1074 CB SER A 86 9.568 -6.839 4.650 1.00 0.00 C ATOM 1075 OG SER A 86 9.263 -7.742 5.698 1.00 0.00 O ATOM 0 H SER A 86 8.566 -5.750 1.818 1.00 0.00 H new ATOM 0 HA SER A 86 7.787 -7.613 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.454 -7.182 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.806 -5.860 5.067 1.00 0.00 H new ATOM 0 HG SER A 86 10.028 -7.807 6.307 1.00 0.00 H new ATOM 1081 N GLN A 87 6.803 -5.625 5.145 1.00 0.00 N ATOM 1082 CA GLN A 87 5.951 -4.539 5.607 1.00 0.00 C ATOM 1083 C GLN A 87 6.804 -3.381 6.089 1.00 0.00 C ATOM 1084 O GLN A 87 6.661 -2.255 5.622 1.00 0.00 O ATOM 1085 CB GLN A 87 5.026 -5.018 6.729 1.00 0.00 C ATOM 1086 CG GLN A 87 4.189 -3.906 7.345 1.00 0.00 C ATOM 1087 CD GLN A 87 2.830 -4.388 7.813 1.00 0.00 C ATOM 1088 OE1 GLN A 87 2.728 -5.328 8.600 1.00 0.00 O ATOM 1089 NE2 GLN A 87 1.776 -3.742 7.328 1.00 0.00 N ATOM 0 H GLN A 87 6.780 -6.459 5.731 1.00 0.00 H new ATOM 0 HA GLN A 87 5.333 -4.203 4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.361 -5.787 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.627 -5.484 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.728 -3.476 8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.055 -3.109 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.908 -2.968 6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.835 -4.020 7.606 1.00 0.00 H new ATOM 1098 N GLU A 88 7.707 -3.674 7.011 1.00 0.00 N ATOM 1099 CA GLU A 88 8.602 -2.658 7.536 1.00 0.00 C ATOM 1100 C GLU A 88 9.494 -2.139 6.420 1.00 0.00 C ATOM 1101 O GLU A 88 9.896 -0.974 6.418 1.00 0.00 O ATOM 1102 CB GLU A 88 9.452 -3.220 8.677 1.00 0.00 C ATOM 1103 CG GLU A 88 10.415 -2.207 9.276 1.00 0.00 C ATOM 1104 CD GLU A 88 11.782 -2.798 9.558 1.00 0.00 C ATOM 1105 OE1 GLU A 88 12.333 -3.476 8.664 1.00 0.00 O ATOM 1106 OE2 GLU A 88 12.302 -2.586 10.674 1.00 0.00 O ATOM 0 H GLU A 88 7.839 -4.604 7.409 1.00 0.00 H new ATOM 0 HA GLU A 88 8.006 -1.836 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.792 -3.590 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.020 -4.075 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.521 -1.364 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.995 -1.815 10.202 1.00 0.00 H new ATOM 1113 N GLU A 89 9.785 -3.009 5.456 1.00 0.00 N ATOM 1114 CA GLU A 89 10.610 -2.631 4.319 1.00 0.00 C ATOM 1115 C GLU A 89 9.845 -1.664 3.428 1.00 0.00 C ATOM 1116 O GLU A 89 10.347 -0.602 3.063 1.00 0.00 O ATOM 1117 CB GLU A 89 11.021 -3.871 3.521 1.00 0.00 C ATOM 1118 CG GLU A 89 12.041 -4.742 4.236 1.00 0.00 C ATOM 1119 CD GLU A 89 13.465 -4.454 3.799 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.682 -4.245 2.586 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.360 -4.437 4.668 1.00 0.00 O ATOM 0 H GLU A 89 9.462 -3.976 5.442 1.00 0.00 H new ATOM 0 HA GLU A 89 11.513 -2.142 4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.133 -4.466 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.433 -3.556 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.956 -4.585 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.813 -5.791 4.048 1.00 0.00 H new ATOM 1128 N VAL A 90 8.612 -2.041 3.101 1.00 0.00 N ATOM 1129 CA VAL A 90 7.748 -1.214 2.270 1.00 0.00 C ATOM 1130 C VAL A 90 7.460 0.115 2.963 1.00 0.00 C ATOM 1131 O VAL A 90 7.617 1.191 2.375 1.00 0.00 O ATOM 1132 CB VAL A 90 6.421 -1.944 1.962 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.450 -1.027 1.231 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.685 -3.203 1.149 1.00 0.00 C ATOM 0 H VAL A 90 8.189 -2.919 3.402 1.00 0.00 H new ATOM 0 HA VAL A 90 8.265 -1.021 1.330 1.00 0.00 H new ATOM 0 HB VAL A 90 5.963 -2.231 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.525 -1.566 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.234 -0.157 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.895 -0.701 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.741 -3.706 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.169 -2.935 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.335 -3.871 1.714 1.00 0.00 H new ATOM 1144 N VAL A 91 7.060 0.032 4.226 1.00 0.00 N ATOM 1145 CA VAL A 91 6.772 1.220 5.012 1.00 0.00 C ATOM 1146 C VAL A 91 8.016 2.090 5.107 1.00 0.00 C ATOM 1147 O VAL A 91 7.930 3.316 5.150 1.00 0.00 O ATOM 1148 CB VAL A 91 6.287 0.859 6.430 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.871 2.108 7.192 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.139 -0.140 6.363 1.00 0.00 C ATOM 0 H VAL A 91 6.928 -0.847 4.726 1.00 0.00 H new ATOM 0 HA VAL A 91 5.974 1.766 4.509 1.00 0.00 H new ATOM 0 HB VAL A 91 7.114 0.395 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.532 1.829 8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.722 2.785 7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.061 2.606 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.809 -0.384 7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.310 0.296 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.475 -1.048 5.862 1.00 0.00 H new ATOM 1160 N SER A 92 9.177 1.439 5.121 1.00 0.00 N ATOM 1161 CA SER A 92 10.449 2.144 5.190 1.00 0.00 C ATOM 1162 C SER A 92 10.652 2.986 3.937 1.00 0.00 C ATOM 1163 O SER A 92 11.160 4.105 4.005 1.00 0.00 O ATOM 1164 CB SER A 92 11.603 1.150 5.346 1.00 0.00 C ATOM 1165 OG SER A 92 11.924 0.952 6.712 1.00 0.00 O ATOM 0 H SER A 92 9.260 0.423 5.085 1.00 0.00 H new ATOM 0 HA SER A 92 10.434 2.801 6.059 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.331 0.197 4.891 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.479 1.519 4.813 1.00 0.00 H new ATOM 0 HG SER A 92 11.357 0.244 7.082 1.00 0.00 H new ATOM 1171 N LEU A 93 10.239 2.446 2.792 1.00 0.00 N ATOM 1172 CA LEU A 93 10.366 3.162 1.526 1.00 0.00 C ATOM 1173 C LEU A 93 9.597 4.470 1.594 1.00 0.00 C ATOM 1174 O LEU A 93 10.135 5.539 1.307 1.00 0.00 O ATOM 1175 CB LEU A 93 9.845 2.328 0.353 1.00 0.00 C ATOM 1176 CG LEU A 93 10.098 0.829 0.458 1.00 0.00 C ATOM 1177 CD1 LEU A 93 9.481 0.100 -0.726 1.00 0.00 C ATOM 1178 CD2 LEU A 93 11.589 0.545 0.550 1.00 0.00 C ATOM 0 H LEU A 93 9.816 1.521 2.715 1.00 0.00 H new ATOM 0 HA LEU A 93 11.425 3.359 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.772 2.493 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.305 2.694 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 93 9.625 0.461 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.672 -0.969 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.406 0.277 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.923 0.469 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.751 -0.530 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.088 0.926 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.999 1.035 1.433 1.00 0.00 H new ATOM 1190 N LEU A 94 8.334 4.372 1.990 1.00 0.00 N ATOM 1191 CA LEU A 94 7.484 5.557 2.110 1.00 0.00 C ATOM 1192 C LEU A 94 8.033 6.474 3.192 1.00 0.00 C ATOM 1193 O LEU A 94 8.149 7.686 3.001 1.00 0.00 O ATOM 1194 CB LEU A 94 6.028 5.187 2.434 1.00 0.00 C ATOM 1195 CG LEU A 94 5.675 3.705 2.322 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.227 3.474 2.728 1.00 0.00 C ATOM 1197 CD2 LEU A 94 5.919 3.203 0.906 1.00 0.00 C ATOM 0 H LEU A 94 7.876 3.494 2.232 1.00 0.00 H new ATOM 0 HA LEU A 94 7.490 6.069 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.807 5.518 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.374 5.748 1.766 1.00 0.00 H new ATOM 0 HG LEU A 94 6.318 3.144 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.990 2.413 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.082 3.797 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.570 4.046 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.662 2.145 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.300 3.767 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.970 3.336 0.649 1.00 0.00 H new ATOM 1209 N ARG A 95 8.375 5.884 4.329 1.00 0.00 N ATOM 1210 CA ARG A 95 8.924 6.639 5.449 1.00 0.00 C ATOM 1211 C ARG A 95 10.225 7.325 5.044 1.00 0.00 C ATOM 1212 O ARG A 95 10.557 8.396 5.552 1.00 0.00 O ATOM 1213 CB ARG A 95 9.167 5.724 6.651 1.00 0.00 C ATOM 1214 CG ARG A 95 8.120 5.866 7.745 1.00 0.00 C ATOM 1215 CD ARG A 95 7.574 4.515 8.174 1.00 0.00 C ATOM 1216 NE ARG A 95 6.190 4.603 8.632 1.00 0.00 N ATOM 1217 CZ ARG A 95 5.171 4.954 7.850 1.00 0.00 C ATOM 1218 NH1 ARG A 95 5.375 5.247 6.571 1.00 0.00 N ATOM 1219 NH2 ARG A 95 3.943 5.012 8.348 1.00 0.00 N ATOM 0 H ARG A 95 8.282 4.883 4.501 1.00 0.00 H new ATOM 0 HA ARG A 95 8.198 7.401 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.187 4.689 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.150 5.941 7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.558 6.372 8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.303 6.493 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.635 3.818 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.195 4.110 8.973 1.00 0.00 H new ATOM 0 HE ARG A 95 5.992 4.383 9.608 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.317 5.204 6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.590 5.515 5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.780 4.788 9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.162 5.281 7.749 1.00 0.00 H new ATOM 1233 N SER A 96 10.955 6.703 4.122 1.00 0.00 N ATOM 1234 CA SER A 96 12.216 7.257 3.647 1.00 0.00 C ATOM 1235 C SER A 96 11.966 8.510 2.817 1.00 0.00 C ATOM 1236 O SER A 96 12.795 9.419 2.776 1.00 0.00 O ATOM 1237 CB SER A 96 12.975 6.221 2.816 1.00 0.00 C ATOM 1238 OG SER A 96 13.872 5.477 3.623 1.00 0.00 O ATOM 0 H SER A 96 10.694 5.816 3.690 1.00 0.00 H new ATOM 0 HA SER A 96 12.822 7.524 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.267 5.545 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.527 6.722 2.020 1.00 0.00 H new ATOM 0 HG SER A 96 13.390 4.741 4.055 1.00 0.00 H new ATOM 1244 N THR A 97 10.811 8.551 2.160 1.00 0.00 N ATOM 1245 CA THR A 97 10.442 9.692 1.335 1.00 0.00 C ATOM 1246 C THR A 97 10.266 10.940 2.193 1.00 0.00 C ATOM 1247 O THR A 97 9.710 10.878 3.289 1.00 0.00 O ATOM 1248 CB THR A 97 9.148 9.398 0.569 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.808 8.026 0.660 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.227 9.749 -0.899 1.00 0.00 C ATOM 0 H THR A 97 10.115 7.806 2.184 1.00 0.00 H new ATOM 0 HA THR A 97 11.245 9.871 0.620 1.00 0.00 H new ATOM 0 HB THR A 97 8.391 10.026 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.089 7.910 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.277 9.516 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.437 10.813 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.024 9.172 -1.369 1.00 0.00 H new ATOM 1258 N LYS A 98 10.742 12.071 1.687 1.00 0.00 N ATOM 1259 CA LYS A 98 10.637 13.335 2.407 1.00 0.00 C ATOM 1260 C LYS A 98 9.734 14.309 1.658 1.00 0.00 C ATOM 1261 O LYS A 98 9.374 14.071 0.505 1.00 0.00 O ATOM 1262 CB LYS A 98 12.021 13.950 2.601 1.00 0.00 C ATOM 1263 CG LYS A 98 12.749 14.209 1.298 1.00 0.00 C ATOM 1264 CD LYS A 98 13.811 13.154 1.032 1.00 0.00 C ATOM 1265 CE LYS A 98 14.172 13.081 -0.443 1.00 0.00 C ATOM 1266 NZ LYS A 98 13.585 11.880 -1.100 1.00 0.00 N ATOM 0 H LYS A 98 11.205 12.139 0.781 1.00 0.00 H new ATOM 0 HA LYS A 98 10.197 13.136 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.921 14.889 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.623 13.285 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.033 14.221 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.214 15.194 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.704 13.381 1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.450 12.182 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.819 13.980 -0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.256 13.060 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.854 11.867 -2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.941 11.021 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.549 11.912 -1.020 1.00 0.00 H new ATOM 1280 N MET A 99 9.376 15.408 2.315 1.00 0.00 N ATOM 1281 CA MET A 99 8.517 16.416 1.700 1.00 0.00 C ATOM 1282 C MET A 99 9.037 16.790 0.314 1.00 0.00 C ATOM 1283 O MET A 99 10.229 16.662 0.035 1.00 0.00 O ATOM 1284 CB MET A 99 8.441 17.662 2.583 1.00 0.00 C ATOM 1285 CG MET A 99 7.492 17.516 3.762 1.00 0.00 C ATOM 1286 SD MET A 99 8.325 16.963 5.261 1.00 0.00 S ATOM 1287 CE MET A 99 7.296 15.576 5.731 1.00 0.00 C ATOM 0 H MET A 99 9.666 15.623 3.269 1.00 0.00 H new ATOM 0 HA MET A 99 7.517 15.996 1.597 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.438 17.894 2.957 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.124 18.509 1.975 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.007 18.473 3.953 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.706 16.806 3.505 1.00 0.00 H new ATOM 0 HE1 MET A 99 7.685 15.127 6.645 1.00 0.00 H new ATOM 0 HE2 MET A 99 6.276 15.921 5.902 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.299 14.834 4.933 1.00 0.00 H new ATOM 1297 N GLU A 100 8.140 17.240 -0.555 1.00 0.00 N ATOM 1298 CA GLU A 100 8.520 17.615 -1.912 1.00 0.00 C ATOM 1299 C GLU A 100 9.133 16.420 -2.637 1.00 0.00 C ATOM 1300 O GLU A 100 10.349 16.336 -2.804 1.00 0.00 O ATOM 1301 CB GLU A 100 9.512 18.781 -1.885 1.00 0.00 C ATOM 1302 CG GLU A 100 8.880 20.124 -2.217 1.00 0.00 C ATOM 1303 CD GLU A 100 9.761 20.977 -3.110 1.00 0.00 C ATOM 1304 OE1 GLU A 100 9.712 20.791 -4.345 1.00 0.00 O ATOM 1305 OE2 GLU A 100 10.498 21.830 -2.575 1.00 0.00 O ATOM 0 H GLU A 100 7.148 17.354 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 100 7.625 17.931 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.967 18.837 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.315 18.581 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.921 19.959 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.675 20.664 -1.292 1.00 0.00 H new ATOM 1312 N GLY A 101 8.277 15.495 -3.056 1.00 0.00 N ATOM 1313 CA GLY A 101 8.738 14.309 -3.748 1.00 0.00 C ATOM 1314 C GLY A 101 7.587 13.411 -4.148 1.00 0.00 C ATOM 1315 O GLY A 101 6.996 12.734 -3.308 1.00 0.00 O ATOM 0 H GLY A 101 7.267 15.547 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.298 14.601 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.424 13.757 -3.106 1.00 0.00 H new ATOM 1319 N THR A 102 7.261 13.419 -5.431 1.00 0.00 N ATOM 1320 CA THR A 102 6.162 12.611 -5.948 1.00 0.00 C ATOM 1321 C THR A 102 6.514 11.127 -5.940 1.00 0.00 C ATOM 1322 O THR A 102 7.370 10.676 -6.701 1.00 0.00 O ATOM 1323 CB THR A 102 5.801 13.053 -7.366 1.00 0.00 C ATOM 1324 OG1 THR A 102 6.139 14.415 -7.569 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.331 12.892 -7.686 1.00 0.00 C ATOM 0 H THR A 102 7.742 13.977 -6.137 1.00 0.00 H new ATOM 0 HA THR A 102 5.302 12.760 -5.295 1.00 0.00 H new ATOM 0 HB THR A 102 6.374 12.402 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.902 14.678 -8.483 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.142 13.224 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.050 11.844 -7.587 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.740 13.493 -6.994 1.00 0.00 H new ATOM 1333 N VAL A 103 5.835 10.376 -5.080 1.00 0.00 N ATOM 1334 CA VAL A 103 6.058 8.940 -4.971 1.00 0.00 C ATOM 1335 C VAL A 103 5.057 8.177 -5.834 1.00 0.00 C ATOM 1336 O VAL A 103 3.849 8.255 -5.613 1.00 0.00 O ATOM 1337 CB VAL A 103 5.932 8.467 -3.506 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.178 6.968 -3.394 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.891 9.240 -2.615 1.00 0.00 C ATOM 0 H VAL A 103 5.123 10.740 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 103 7.070 8.736 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 103 4.914 8.664 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.083 6.661 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.445 6.433 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.181 6.736 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.790 8.895 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.914 9.077 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.658 10.304 -2.666 1.00 0.00 H new ATOM 1349 N SER A 104 5.566 7.446 -6.822 1.00 0.00 N ATOM 1350 CA SER A 104 4.709 6.679 -7.717 1.00 0.00 C ATOM 1351 C SER A 104 4.441 5.289 -7.152 1.00 0.00 C ATOM 1352 O SER A 104 5.324 4.433 -7.140 1.00 0.00 O ATOM 1353 CB SER A 104 5.351 6.564 -9.101 1.00 0.00 C ATOM 1354 OG SER A 104 6.166 7.690 -9.382 1.00 0.00 O ATOM 0 H SER A 104 6.563 7.370 -7.021 1.00 0.00 H new ATOM 0 HA SER A 104 3.759 7.205 -7.809 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.951 5.655 -9.152 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.573 6.476 -9.860 1.00 0.00 H new ATOM 0 HG SER A 104 6.566 7.591 -10.271 1.00 0.00 H new ATOM 1360 N LEU A 105 3.219 5.074 -6.683 1.00 0.00 N ATOM 1361 CA LEU A 105 2.838 3.790 -6.112 1.00 0.00 C ATOM 1362 C LEU A 105 1.809 3.084 -6.987 1.00 0.00 C ATOM 1363 O LEU A 105 0.667 3.529 -7.103 1.00 0.00 O ATOM 1364 CB LEU A 105 2.277 3.981 -4.703 1.00 0.00 C ATOM 1365 CG LEU A 105 3.055 4.963 -3.824 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.297 6.275 -3.686 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.328 4.357 -2.455 1.00 0.00 C ATOM 0 H LEU A 105 2.475 5.772 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 105 3.731 3.168 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.246 4.326 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.251 3.012 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 105 4.011 5.168 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.866 6.960 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.156 6.719 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.325 6.087 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.882 5.071 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.383 4.120 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.915 3.446 -2.571 1.00 0.00 H new ATOM 1379 N LEU A 106 2.217 1.974 -7.590 1.00 0.00 N ATOM 1380 CA LEU A 106 1.325 1.199 -8.443 1.00 0.00 C ATOM 1381 C LEU A 106 0.429 0.309 -7.593 1.00 0.00 C ATOM 1382 O LEU A 106 0.901 -0.635 -6.959 1.00 0.00 O ATOM 1383 CB LEU A 106 2.128 0.348 -9.427 1.00 0.00 C ATOM 1384 CG LEU A 106 1.287 -0.481 -10.398 1.00 0.00 C ATOM 1385 CD1 LEU A 106 0.996 0.313 -11.662 1.00 0.00 C ATOM 1386 CD2 LEU A 106 1.993 -1.786 -10.736 1.00 0.00 C ATOM 0 H LEU A 106 3.158 1.591 -7.504 1.00 0.00 H new ATOM 0 HA LEU A 106 0.702 1.891 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.781 1.004 -10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.772 -0.325 -8.861 1.00 0.00 H new ATOM 0 HG LEU A 106 0.339 -0.719 -9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.396 -0.292 -12.342 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.448 1.219 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.934 0.582 -12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.380 -2.363 -11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.956 -1.570 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.150 -2.362 -9.824 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.862 0.614 -7.578 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.816 -0.158 -6.795 1.00 0.00 C ATOM 1400 C VAL A 107 -2.658 -1.063 -7.688 1.00 0.00 C ATOM 1401 O VAL A 107 -2.618 -0.955 -8.912 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.749 0.764 -5.981 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.939 1.678 -5.077 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.644 1.577 -6.906 1.00 0.00 C ATOM 0 H VAL A 107 -1.272 1.390 -8.099 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.238 -0.774 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.386 0.140 -5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.613 2.321 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.347 1.076 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.275 2.294 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.293 2.220 -6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.027 2.191 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.253 0.903 -7.508 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.421 -1.953 -7.064 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.275 -2.874 -7.802 1.00 0.00 C ATOM 1416 C PHE A 108 -5.709 -2.802 -7.291 1.00 0.00 C ATOM 1417 O PHE A 108 -5.985 -3.149 -6.142 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.747 -4.304 -7.683 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.508 -5.300 -8.511 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -4.472 -5.242 -9.896 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -5.257 -6.296 -7.906 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -5.169 -6.158 -10.659 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -5.957 -7.214 -8.664 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.913 -7.145 -10.042 1.00 0.00 C ATOM 0 H PHE A 108 -3.465 -2.056 -6.050 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.264 -2.582 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.699 -4.321 -7.983 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.785 -4.610 -6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.892 -4.472 -10.383 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.294 -6.355 -6.828 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.132 -6.103 -11.737 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.538 -7.985 -8.179 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.460 -7.862 -10.637 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.616 -2.345 -8.146 1.00 0.00 N ATOM 1435 CA ARG A 109 -8.017 -2.223 -7.776 1.00 0.00 C ATOM 1436 C ARG A 109 -8.855 -3.310 -8.439 1.00 0.00 C ATOM 1437 O ARG A 109 -8.808 -3.489 -9.655 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.544 -0.844 -8.169 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.773 -0.420 -7.388 1.00 0.00 C ATOM 1440 CD ARG A 109 -9.400 0.196 -6.049 1.00 0.00 C ATOM 1441 NE ARG A 109 -10.386 1.177 -5.600 1.00 0.00 N ATOM 1442 CZ ARG A 109 -10.507 1.584 -4.339 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -9.705 1.101 -3.398 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -11.430 2.478 -4.017 1.00 0.00 N ATOM 0 H ARG A 109 -6.404 -2.053 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 109 -8.095 -2.344 -6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.756 -0.106 -8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.782 -0.844 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.346 0.299 -7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.417 -1.284 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.307 -0.592 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.424 0.675 -6.130 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.019 1.573 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.991 0.414 -3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.803 1.417 -2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.048 2.854 -4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.523 2.790 -3.050 1.00 0.00 H new