USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 HIS : no HD1:sc= 0.125 K(o=0.13,f=-5.4!) USER MOD Set 2.1: A 36 MET CE :methyl -145:sc= -3.26! (180deg=-3.41!) USER MOD Set 2.2: A 40 ASN : amide:sc= -2.3! C(o=-5.6!,f=-11!) USER MOD Single : A 15 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.11) USER MOD Single : A 34 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.96) USER MOD Single : A 35 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.44) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0536) USER MOD Single : A 57 CYS SG : rot 170:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -2.27! (180deg=-3.01!) USER MOD Single : A 65 ASN : amide:sc= -2.91 K(o=-2.9,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -0.0165 (180deg=-0.257) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= 1.84 (180deg=1.4) USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.129) USER MOD Single : A 80 ASN : amide:sc= -3.26 K(o=-3.3,f=-4.1!) USER MOD Single : A 81 SER OG : rot -8:sc= 0.947 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 86 HIS : no HE2:sc= 0.571 K(o=0.57,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 0.890 -11.842 -7.611 1.00 0.00 N ATOM 115 CA VAL A 10 -0.336 -11.190 -7.198 1.00 0.00 C ATOM 116 C VAL A 10 -0.084 -9.706 -6.979 1.00 0.00 C ATOM 117 O VAL A 10 0.716 -9.320 -6.127 1.00 0.00 O ATOM 118 CB VAL A 10 -0.900 -11.817 -5.904 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.203 -11.144 -5.496 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.102 -13.316 -6.081 1.00 0.00 C ATOM 0 HA VAL A 10 -1.072 -11.326 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.175 -11.658 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.579 -11.604 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.025 -10.083 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.939 -11.263 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.500 -13.741 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.804 -13.495 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.147 -13.787 -6.315 1.00 0.00 H new ATOM 130 N ASP A 11 -0.768 -8.882 -7.754 1.00 0.00 N ATOM 131 CA ASP A 11 -0.601 -7.441 -7.665 1.00 0.00 C ATOM 132 C ASP A 11 -1.830 -6.813 -7.035 1.00 0.00 C ATOM 133 O ASP A 11 -2.935 -6.920 -7.567 1.00 0.00 O ATOM 134 CB ASP A 11 -0.374 -6.828 -9.050 1.00 0.00 C ATOM 135 CG ASP A 11 0.869 -7.346 -9.744 1.00 0.00 C ATOM 136 OD1 ASP A 11 1.991 -7.011 -9.307 1.00 0.00 O ATOM 137 OD2 ASP A 11 0.730 -8.064 -10.759 1.00 0.00 O ATOM 0 H ASP A 11 -1.445 -9.186 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 11 0.273 -7.241 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.242 -7.033 -9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.301 -5.745 -8.952 1.00 0.00 H new ATOM 142 N VAL A 12 -1.639 -6.159 -5.905 1.00 0.00 N ATOM 143 CA VAL A 12 -2.729 -5.482 -5.223 1.00 0.00 C ATOM 144 C VAL A 12 -2.554 -3.974 -5.349 1.00 0.00 C ATOM 145 O VAL A 12 -1.450 -3.455 -5.180 1.00 0.00 O ATOM 146 CB VAL A 12 -2.799 -5.882 -3.733 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.005 -5.245 -3.057 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.839 -7.396 -3.583 1.00 0.00 C ATOM 0 H VAL A 12 -0.736 -6.081 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.664 -5.784 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.899 -5.513 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.033 -5.541 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.929 -4.160 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.917 -5.577 -3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.888 -7.656 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.718 -7.789 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.940 -7.829 -4.022 1.00 0.00 H new ATOM 158 N GLU A 13 -3.640 -3.277 -5.648 1.00 0.00 N ATOM 159 CA GLU A 13 -3.582 -1.848 -5.899 1.00 0.00 C ATOM 160 C GLU A 13 -4.121 -1.076 -4.704 1.00 0.00 C ATOM 161 O GLU A 13 -5.316 -1.133 -4.405 1.00 0.00 O ATOM 162 CB GLU A 13 -4.393 -1.495 -7.148 1.00 0.00 C ATOM 163 CG GLU A 13 -4.002 -2.290 -8.381 1.00 0.00 C ATOM 164 CD GLU A 13 -2.559 -2.078 -8.784 1.00 0.00 C ATOM 165 OE1 GLU A 13 -2.198 -0.933 -9.120 1.00 0.00 O ATOM 166 OE2 GLU A 13 -1.783 -3.055 -8.767 1.00 0.00 O ATOM 0 H GLU A 13 -4.574 -3.681 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.540 -1.571 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.450 -1.661 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.272 -0.433 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.169 -3.350 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.651 -2.008 -9.210 1.00 0.00 H new ATOM 173 N ILE A 14 -3.240 -0.359 -4.029 1.00 0.00 N ATOM 174 CA ILE A 14 -3.645 0.483 -2.919 1.00 0.00 C ATOM 175 C ILE A 14 -3.545 1.941 -3.337 1.00 0.00 C ATOM 176 O ILE A 14 -2.523 2.369 -3.865 1.00 0.00 O ATOM 177 CB ILE A 14 -2.766 0.272 -1.662 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.619 -1.220 -1.332 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.376 1.014 -0.482 1.00 0.00 C ATOM 180 CD1 ILE A 14 -1.759 -1.497 -0.110 1.00 0.00 C ATOM 0 H ILE A 14 -2.240 -0.343 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.669 0.211 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.771 0.669 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.609 -1.646 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.187 -1.732 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.756 0.864 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.431 2.078 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.379 0.632 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.702 -2.572 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.756 -1.102 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.201 -1.015 0.762 1.00 0.00 H new ATOM 192 N HIS A 15 -4.602 2.699 -3.126 1.00 0.00 N ATOM 193 CA HIS A 15 -4.585 4.107 -3.475 1.00 0.00 C ATOM 194 C HIS A 15 -4.676 4.971 -2.231 1.00 0.00 C ATOM 195 O HIS A 15 -5.552 4.782 -1.388 1.00 0.00 O ATOM 196 CB HIS A 15 -5.724 4.453 -4.436 1.00 0.00 C ATOM 197 CG HIS A 15 -5.586 3.826 -5.786 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.265 2.687 -6.153 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.849 4.187 -6.863 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.955 2.374 -7.397 1.00 0.00 C ATOM 201 NE2 HIS A 15 -5.098 3.268 -7.853 1.00 0.00 N ATOM 0 H HIS A 15 -5.477 2.369 -2.718 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.639 4.310 -3.976 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.669 4.137 -3.994 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.773 5.536 -4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.188 5.039 -6.931 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.338 1.528 -7.949 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.688 3.275 -8.787 1.00 0.00 H new ATOM 210 N PHE A 16 -3.746 5.899 -2.113 1.00 0.00 N ATOM 211 CA PHE A 16 -3.768 6.880 -1.048 1.00 0.00 C ATOM 212 C PHE A 16 -3.704 8.271 -1.649 1.00 0.00 C ATOM 213 O PHE A 16 -2.771 8.583 -2.383 1.00 0.00 O ATOM 214 CB PHE A 16 -2.584 6.710 -0.096 1.00 0.00 C ATOM 215 CG PHE A 16 -2.564 5.421 0.670 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.705 4.940 1.287 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.390 4.701 0.784 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.673 3.761 2.002 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.350 3.524 1.500 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.493 3.055 2.109 1.00 0.00 C ATOM 0 H PHE A 16 -2.956 5.993 -2.752 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.690 6.738 -0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.661 6.787 -0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.587 7.537 0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.629 5.493 1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.493 5.065 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.570 3.391 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.426 2.971 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.465 2.133 2.671 1.00 0.00 H new ATOM 230 N PRO A 17 -4.693 9.123 -1.375 1.00 0.00 N ATOM 231 CA PRO A 17 -4.659 10.509 -1.827 1.00 0.00 C ATOM 232 C PRO A 17 -3.460 11.242 -1.238 1.00 0.00 C ATOM 233 O PRO A 17 -3.216 11.202 -0.030 1.00 0.00 O ATOM 234 CB PRO A 17 -5.965 11.104 -1.302 1.00 0.00 C ATOM 235 CG PRO A 17 -6.837 9.935 -0.998 1.00 0.00 C ATOM 236 CD PRO A 17 -5.914 8.813 -0.619 1.00 0.00 C ATOM 0 HA PRO A 17 -4.564 10.592 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.792 11.707 -0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.426 11.756 -2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.526 10.164 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.443 9.666 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.729 8.787 0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.324 7.842 -0.895 1.00 0.00 H new ATOM 244 N LEU A 18 -2.726 11.905 -2.129 1.00 0.00 N ATOM 245 CA LEU A 18 -1.477 12.594 -1.809 1.00 0.00 C ATOM 246 C LEU A 18 -1.652 13.514 -0.606 1.00 0.00 C ATOM 247 O LEU A 18 -0.775 13.612 0.245 1.00 0.00 O ATOM 248 CB LEU A 18 -1.033 13.394 -3.050 1.00 0.00 C ATOM 249 CG LEU A 18 0.425 13.889 -3.096 1.00 0.00 C ATOM 250 CD1 LEU A 18 0.667 15.034 -2.126 1.00 0.00 C ATOM 251 CD2 LEU A 18 1.384 12.745 -2.819 1.00 0.00 C ATOM 0 H LEU A 18 -2.987 11.980 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.712 11.863 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.205 12.773 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.686 14.262 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 18 0.609 14.269 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.707 15.352 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.015 15.870 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.452 14.702 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.409 13.113 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.182 12.332 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.250 11.968 -3.572 1.00 0.00 H new ATOM 263 N LYS A 19 -2.803 14.167 -0.540 1.00 0.00 N ATOM 264 CA LYS A 19 -3.081 15.129 0.515 1.00 0.00 C ATOM 265 C LYS A 19 -3.384 14.454 1.851 1.00 0.00 C ATOM 266 O LYS A 19 -3.112 15.019 2.906 1.00 0.00 O ATOM 267 CB LYS A 19 -4.259 16.011 0.113 1.00 0.00 C ATOM 268 CG LYS A 19 -3.968 16.923 -1.067 1.00 0.00 C ATOM 269 CD LYS A 19 -5.197 17.725 -1.461 1.00 0.00 C ATOM 270 CE LYS A 19 -4.883 18.742 -2.535 1.00 0.00 C ATOM 271 NZ LYS A 19 -4.536 18.112 -3.834 1.00 0.00 N ATOM 0 H LYS A 19 -3.563 14.047 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.184 15.734 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.110 15.375 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.553 16.621 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.154 17.602 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.632 16.327 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.974 17.048 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.595 18.234 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.743 19.398 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.054 19.368 -2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.248 18.847 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.753 17.442 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.364 17.605 -4.206 1.00 0.00 H new ATOM 285 N ARG A 20 -3.944 13.252 1.808 1.00 0.00 N ATOM 286 CA ARG A 20 -4.380 12.589 3.035 1.00 0.00 C ATOM 287 C ARG A 20 -3.273 11.731 3.627 1.00 0.00 C ATOM 288 O ARG A 20 -3.116 11.668 4.841 1.00 0.00 O ATOM 289 CB ARG A 20 -5.599 11.705 2.787 1.00 0.00 C ATOM 290 CG ARG A 20 -6.715 12.374 2.016 1.00 0.00 C ATOM 291 CD ARG A 20 -7.158 13.672 2.657 1.00 0.00 C ATOM 292 NE ARG A 20 -7.616 13.495 4.033 1.00 0.00 N ATOM 293 CZ ARG A 20 -7.401 14.379 5.006 1.00 0.00 C ATOM 294 NH1 ARG A 20 -6.754 15.510 4.747 1.00 0.00 N ATOM 295 NH2 ARG A 20 -7.847 14.146 6.236 1.00 0.00 N ATOM 0 H ARG A 20 -4.106 12.721 0.952 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.641 13.380 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.282 10.815 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.989 11.369 3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.383 12.570 0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.565 11.695 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.330 14.381 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.962 14.109 2.064 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.131 12.645 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.421 15.702 3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.590 16.186 5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.357 13.286 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.679 14.827 6.977 1.00 0.00 H new ATOM 309 N ILE A 21 -2.494 11.085 2.771 1.00 0.00 N ATOM 310 CA ILE A 21 -1.422 10.223 3.248 1.00 0.00 C ATOM 311 C ILE A 21 -0.280 11.077 3.792 1.00 0.00 C ATOM 312 O ILE A 21 0.575 10.602 4.531 1.00 0.00 O ATOM 313 CB ILE A 21 -0.909 9.277 2.139 1.00 0.00 C ATOM 314 CG1 ILE A 21 0.017 8.196 2.719 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.198 10.059 1.041 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.610 7.375 3.828 1.00 0.00 C ATOM 0 H ILE A 21 -2.582 11.140 1.756 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.821 9.598 4.047 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.774 8.781 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.325 7.527 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.920 8.673 3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.153 9.370 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.890 10.775 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.652 10.592 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.107 6.635 4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.892 8.031 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.497 6.868 3.448 1.00 0.00 H new ATOM 328 N ALA A 22 -0.295 12.355 3.427 1.00 0.00 N ATOM 329 CA ALA A 22 0.669 13.319 3.935 1.00 0.00 C ATOM 330 C ALA A 22 0.036 14.176 5.024 1.00 0.00 C ATOM 331 O ALA A 22 0.522 15.263 5.340 1.00 0.00 O ATOM 332 CB ALA A 22 1.189 14.197 2.809 1.00 0.00 C ATOM 0 H ALA A 22 -0.973 12.748 2.774 1.00 0.00 H new ATOM 0 HA ALA A 22 1.510 12.773 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.909 14.912 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.674 13.575 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.358 14.735 2.354 1.00 0.00 H new ATOM 338 N ALA A 23 -1.062 13.686 5.583 1.00 0.00 N ATOM 339 CA ALA A 23 -1.779 14.404 6.621 1.00 0.00 C ATOM 340 C ALA A 23 -1.623 13.703 7.963 1.00 0.00 C ATOM 341 O ALA A 23 -1.122 12.581 8.034 1.00 0.00 O ATOM 342 CB ALA A 23 -3.250 14.533 6.255 1.00 0.00 C ATOM 0 H ALA A 23 -1.476 12.788 5.331 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.353 15.404 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.775 15.074 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.345 15.078 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.686 13.540 6.144 1.00 0.00 H new ATOM 348 N GLU A 24 -2.053 14.369 9.023 1.00 0.00 N ATOM 349 CA GLU A 24 -1.953 13.824 10.369 1.00 0.00 C ATOM 350 C GLU A 24 -3.164 12.943 10.662 1.00 0.00 C ATOM 351 O GLU A 24 -3.045 11.880 11.270 1.00 0.00 O ATOM 352 CB GLU A 24 -1.848 14.978 11.378 1.00 0.00 C ATOM 353 CG GLU A 24 -1.476 14.565 12.800 1.00 0.00 C ATOM 354 CD GLU A 24 -2.623 13.941 13.570 1.00 0.00 C ATOM 355 OE1 GLU A 24 -3.727 14.528 13.589 1.00 0.00 O ATOM 356 OE2 GLU A 24 -2.418 12.876 14.185 1.00 0.00 O ATOM 0 H GLU A 24 -2.478 15.295 8.977 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.059 13.207 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.105 15.689 11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.803 15.502 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.649 13.856 12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.119 15.441 13.342 1.00 0.00 H new ATOM 363 N GLY A 25 -4.322 13.375 10.186 1.00 0.00 N ATOM 364 CA GLY A 25 -5.560 12.669 10.467 1.00 0.00 C ATOM 365 C GLY A 25 -5.943 11.715 9.355 1.00 0.00 C ATOM 366 O GLY A 25 -7.111 11.619 8.977 1.00 0.00 O ATOM 0 H GLY A 25 -4.429 14.207 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.455 12.114 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.362 13.392 10.615 1.00 0.00 H new ATOM 370 N TYR A 26 -4.957 10.999 8.839 1.00 0.00 N ATOM 371 CA TYR A 26 -5.167 10.095 7.716 1.00 0.00 C ATOM 372 C TYR A 26 -5.913 8.836 8.148 1.00 0.00 C ATOM 373 O TYR A 26 -6.620 8.223 7.354 1.00 0.00 O ATOM 374 CB TYR A 26 -3.830 9.728 7.071 1.00 0.00 C ATOM 375 CG TYR A 26 -2.858 9.033 8.007 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.141 9.750 8.957 1.00 0.00 C ATOM 377 CD2 TYR A 26 -2.654 7.661 7.936 1.00 0.00 C ATOM 378 CE1 TYR A 26 -1.249 9.122 9.805 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.766 7.026 8.783 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.066 7.761 9.714 1.00 0.00 C ATOM 381 OH TYR A 26 -0.170 7.132 10.545 1.00 0.00 O ATOM 0 H TYR A 26 -3.997 11.026 9.182 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.783 10.612 6.981 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.018 9.081 6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.363 10.635 6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.284 10.818 9.034 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.199 7.081 7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.698 9.696 10.535 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.621 5.958 8.715 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.163 6.171 10.351 1.00 0.00 H new ATOM 391 N ALA A 27 -5.778 8.468 9.416 1.00 0.00 N ATOM 392 CA ALA A 27 -6.437 7.274 9.938 1.00 0.00 C ATOM 393 C ALA A 27 -7.929 7.522 10.139 1.00 0.00 C ATOM 394 O ALA A 27 -8.680 6.619 10.506 1.00 0.00 O ATOM 395 CB ALA A 27 -5.788 6.831 11.240 1.00 0.00 C ATOM 0 H ALA A 27 -5.220 8.977 10.102 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.321 6.474 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.293 5.940 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.736 6.605 11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.869 7.630 11.977 1.00 0.00 H new ATOM 401 N GLU A 28 -8.344 8.757 9.897 1.00 0.00 N ATOM 402 CA GLU A 28 -9.743 9.139 9.990 1.00 0.00 C ATOM 403 C GLU A 28 -10.255 9.533 8.604 1.00 0.00 C ATOM 404 O GLU A 28 -11.392 9.968 8.434 1.00 0.00 O ATOM 405 CB GLU A 28 -9.887 10.307 10.977 1.00 0.00 C ATOM 406 CG GLU A 28 -11.323 10.648 11.339 1.00 0.00 C ATOM 407 CD GLU A 28 -12.038 9.501 12.017 1.00 0.00 C ATOM 408 OE1 GLU A 28 -11.821 9.291 13.228 1.00 0.00 O ATOM 409 OE2 GLU A 28 -12.829 8.807 11.348 1.00 0.00 O ATOM 0 H GLU A 28 -7.721 9.520 9.631 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.336 8.300 10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.342 10.065 11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.414 11.190 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.332 11.517 11.997 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.865 10.927 10.436 1.00 0.00 H new ATOM 416 N ASP A 29 -9.398 9.364 7.607 1.00 0.00 N ATOM 417 CA ASP A 29 -9.712 9.782 6.248 1.00 0.00 C ATOM 418 C ASP A 29 -10.452 8.691 5.485 1.00 0.00 C ATOM 419 O ASP A 29 -9.929 7.599 5.262 1.00 0.00 O ATOM 420 CB ASP A 29 -8.441 10.169 5.497 1.00 0.00 C ATOM 421 CG ASP A 29 -8.711 10.404 4.032 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.391 11.398 3.704 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.247 9.601 3.207 1.00 0.00 O ATOM 0 H ASP A 29 -8.477 8.939 7.714 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.365 10.652 6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.017 11.071 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.697 9.380 5.608 1.00 0.00 H new ATOM 428 N GLU A 30 -11.667 9.033 5.055 1.00 0.00 N ATOM 429 CA GLU A 30 -12.580 8.097 4.404 1.00 0.00 C ATOM 430 C GLU A 30 -11.919 7.455 3.192 1.00 0.00 C ATOM 431 O GLU A 30 -12.115 6.271 2.924 1.00 0.00 O ATOM 432 CB GLU A 30 -13.859 8.842 3.991 1.00 0.00 C ATOM 433 CG GLU A 30 -15.067 7.954 3.711 1.00 0.00 C ATOM 434 CD GLU A 30 -15.005 7.239 2.376 1.00 0.00 C ATOM 435 OE1 GLU A 30 -15.121 7.910 1.330 1.00 0.00 O ATOM 436 OE2 GLU A 30 -14.854 6.002 2.367 1.00 0.00 O ATOM 0 H GLU A 30 -12.047 9.975 5.150 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.836 7.301 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.121 9.546 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.646 9.430 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.153 7.213 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.970 8.564 3.744 1.00 0.00 H new ATOM 443 N LEU A 31 -11.117 8.237 2.484 1.00 0.00 N ATOM 444 CA LEU A 31 -10.440 7.767 1.291 1.00 0.00 C ATOM 445 C LEU A 31 -9.465 6.661 1.631 1.00 0.00 C ATOM 446 O LEU A 31 -9.448 5.602 1.004 1.00 0.00 O ATOM 447 CB LEU A 31 -9.673 8.926 0.666 1.00 0.00 C ATOM 448 CG LEU A 31 -10.405 9.700 -0.430 1.00 0.00 C ATOM 449 CD1 LEU A 31 -10.645 8.810 -1.631 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.722 10.260 0.089 1.00 0.00 C ATOM 0 H LEU A 31 -10.920 9.209 2.721 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.184 7.380 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.401 9.625 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.743 8.538 0.250 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.777 10.537 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.167 9.374 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.689 8.460 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.252 7.954 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.225 10.807 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.358 9.441 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.527 10.934 0.923 1.00 0.00 H new ATOM 462 N LEU A 32 -8.703 6.898 2.675 1.00 0.00 N ATOM 463 CA LEU A 32 -7.681 5.988 3.103 1.00 0.00 C ATOM 464 C LEU A 32 -8.327 4.737 3.672 1.00 0.00 C ATOM 465 O LEU A 32 -7.846 3.619 3.485 1.00 0.00 O ATOM 466 CB LEU A 32 -6.848 6.693 4.161 1.00 0.00 C ATOM 467 CG LEU A 32 -5.365 6.371 4.144 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.606 7.442 3.372 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.828 6.231 5.558 1.00 0.00 C ATOM 0 H LEU A 32 -8.781 7.736 3.251 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.044 5.692 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.970 7.769 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.247 6.437 5.143 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.220 5.416 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.543 7.201 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.975 7.482 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.756 8.410 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.763 6.000 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.978 7.165 6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.356 5.427 6.070 1.00 0.00 H new ATOM 481 N LEU A 33 -9.451 4.951 4.339 1.00 0.00 N ATOM 482 CA LEU A 33 -10.188 3.889 4.987 1.00 0.00 C ATOM 483 C LEU A 33 -10.852 2.952 3.984 1.00 0.00 C ATOM 484 O LEU A 33 -10.725 1.739 4.097 1.00 0.00 O ATOM 485 CB LEU A 33 -11.236 4.492 5.906 1.00 0.00 C ATOM 486 CG LEU A 33 -10.842 4.570 7.383 1.00 0.00 C ATOM 487 CD1 LEU A 33 -10.729 3.181 7.985 1.00 0.00 C ATOM 488 CD2 LEU A 33 -9.533 5.329 7.554 1.00 0.00 C ATOM 0 H LEU A 33 -9.875 5.873 4.444 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.479 3.294 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.468 5.497 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.151 3.906 5.821 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.626 5.112 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.448 3.261 9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.689 2.670 7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.969 2.613 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.273 5.372 8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.742 4.818 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.646 6.342 7.167 1.00 0.00 H new ATOM 500 N ASN A 34 -11.543 3.502 2.993 1.00 0.00 N ATOM 501 CA ASN A 34 -12.265 2.659 2.042 1.00 0.00 C ATOM 502 C ASN A 34 -11.299 1.978 1.085 1.00 0.00 C ATOM 503 O ASN A 34 -11.504 0.829 0.704 1.00 0.00 O ATOM 504 CB ASN A 34 -13.332 3.441 1.254 1.00 0.00 C ATOM 505 CG ASN A 34 -12.777 4.245 0.089 1.00 0.00 C ATOM 506 OD1 ASN A 34 -12.602 3.725 -1.016 1.00 0.00 O ATOM 507 ND2 ASN A 34 -12.536 5.523 0.306 1.00 0.00 N ATOM 0 H ASN A 34 -11.620 4.505 2.826 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.785 1.900 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.076 2.740 0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.849 4.117 1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.194 6.113 -0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.691 5.921 1.232 1.00 0.00 H new ATOM 514 N GLN A 35 -10.232 2.674 0.714 1.00 0.00 N ATOM 515 CA GLN A 35 -9.280 2.127 -0.242 1.00 0.00 C ATOM 516 C GLN A 35 -8.465 1.007 0.390 1.00 0.00 C ATOM 517 O GLN A 35 -8.350 -0.092 -0.170 1.00 0.00 O ATOM 518 CB GLN A 35 -8.359 3.233 -0.762 1.00 0.00 C ATOM 519 CG GLN A 35 -8.760 3.757 -2.135 1.00 0.00 C ATOM 520 CD GLN A 35 -8.905 5.275 -2.220 1.00 0.00 C ATOM 521 OE1 GLN A 35 -9.715 5.780 -2.997 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.127 6.017 -1.444 1.00 0.00 N ATOM 0 H GLN A 35 -10.006 3.608 1.056 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.835 1.710 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.359 4.060 -0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.338 2.853 -0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.016 3.435 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.706 3.298 -2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.465 5.570 -0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.191 7.034 -1.481 1.00 0.00 H new ATOM 531 N MET A 36 -7.967 1.253 1.594 1.00 0.00 N ATOM 532 CA MET A 36 -7.153 0.263 2.274 1.00 0.00 C ATOM 533 C MET A 36 -8.016 -0.604 3.181 1.00 0.00 C ATOM 534 O MET A 36 -7.516 -1.436 3.926 1.00 0.00 O ATOM 535 CB MET A 36 -6.026 0.920 3.067 1.00 0.00 C ATOM 536 CG MET A 36 -4.979 -0.082 3.517 1.00 0.00 C ATOM 537 SD MET A 36 -4.376 -1.070 2.136 1.00 0.00 S ATOM 538 CE MET A 36 -3.756 -2.516 2.982 1.00 0.00 C ATOM 0 H MET A 36 -8.111 2.119 2.112 1.00 0.00 H new ATOM 0 HA MET A 36 -6.696 -0.374 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 36 -5.552 1.687 2.454 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.444 1.423 3.939 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.145 0.445 3.981 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.404 -0.738 4.277 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.872 -2.889 2.465 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.493 -2.253 4.007 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.524 -3.289 2.992 1.00 0.00 H new ATOM 548 N GLY A 37 -9.317 -0.373 3.139 1.00 0.00 N ATOM 549 CA GLY A 37 -10.249 -1.295 3.751 1.00 0.00 C ATOM 550 C GLY A 37 -10.762 -2.279 2.729 1.00 0.00 C ATOM 551 O GLY A 37 -11.141 -3.406 3.056 1.00 0.00 O ATOM 0 H GLY A 37 -9.746 0.437 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.760 -1.829 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.083 -0.744 4.186 1.00 0.00 H new ATOM 555 N LYS A 38 -10.765 -1.844 1.478 1.00 0.00 N ATOM 556 CA LYS A 38 -11.182 -2.682 0.371 1.00 0.00 C ATOM 557 C LYS A 38 -10.108 -3.711 0.055 1.00 0.00 C ATOM 558 O LYS A 38 -10.355 -4.915 0.117 1.00 0.00 O ATOM 559 CB LYS A 38 -11.452 -1.828 -0.863 1.00 0.00 C ATOM 560 CG LYS A 38 -12.087 -2.592 -2.015 1.00 0.00 C ATOM 561 CD LYS A 38 -13.431 -3.185 -1.616 1.00 0.00 C ATOM 562 CE LYS A 38 -14.102 -3.891 -2.781 1.00 0.00 C ATOM 563 NZ LYS A 38 -15.424 -4.449 -2.398 1.00 0.00 N ATOM 0 H LYS A 38 -10.479 -0.904 1.205 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.098 -3.200 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.105 -1.001 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.513 -1.392 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.221 -1.924 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.417 -3.389 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.289 -3.890 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.083 -2.393 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.228 -3.191 -3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.458 -4.694 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.852 -4.923 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.301 -5.136 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.047 -3.679 -2.080 1.00 0.00 H new ATOM 577 N VAL A 39 -8.907 -3.242 -0.270 1.00 0.00 N ATOM 578 CA VAL A 39 -7.812 -4.149 -0.607 1.00 0.00 C ATOM 579 C VAL A 39 -7.079 -4.590 0.659 1.00 0.00 C ATOM 580 O VAL A 39 -5.858 -4.492 0.767 1.00 0.00 O ATOM 581 CB VAL A 39 -6.819 -3.508 -1.606 1.00 0.00 C ATOM 582 CG1 VAL A 39 -7.485 -3.308 -2.958 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.283 -2.183 -1.082 1.00 0.00 C ATOM 0 H VAL A 39 -8.668 -2.251 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.248 -5.023 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.976 -4.189 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.775 -2.856 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.810 -4.272 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.348 -2.652 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.588 -1.759 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.111 -1.492 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.765 -2.348 -0.137 1.00 0.00 H new ATOM 593 N ASN A 40 -7.843 -5.104 1.610 1.00 0.00 N ATOM 594 CA ASN A 40 -7.315 -5.350 2.942 1.00 0.00 C ATOM 595 C ASN A 40 -7.699 -6.716 3.486 1.00 0.00 C ATOM 596 O ASN A 40 -6.922 -7.347 4.201 1.00 0.00 O ATOM 597 CB ASN A 40 -7.842 -4.288 3.894 1.00 0.00 C ATOM 598 CG ASN A 40 -7.129 -4.306 5.230 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.732 -4.051 6.272 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.835 -4.585 5.208 1.00 0.00 N ATOM 0 H ASN A 40 -8.823 -5.357 1.486 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.228 -5.315 2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.727 -3.305 3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.909 -4.443 4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.300 -4.594 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.373 -4.791 4.322 1.00 0.00 H new ATOM 607 N ASP A 41 -8.896 -7.166 3.156 1.00 0.00 N ATOM 608 CA ASP A 41 -9.461 -8.357 3.782 1.00 0.00 C ATOM 609 C ASP A 41 -8.767 -9.619 3.288 1.00 0.00 C ATOM 610 O ASP A 41 -8.563 -10.568 4.048 1.00 0.00 O ATOM 611 CB ASP A 41 -10.963 -8.429 3.507 1.00 0.00 C ATOM 612 CG ASP A 41 -11.612 -9.660 4.104 1.00 0.00 C ATOM 613 OD1 ASP A 41 -11.731 -9.733 5.345 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.031 -10.548 3.332 1.00 0.00 O ATOM 0 H ASP A 41 -9.499 -6.728 2.459 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.300 -8.288 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.444 -7.538 3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.131 -8.422 2.430 1.00 0.00 H new ATOM 619 N THR A 42 -8.390 -9.620 2.022 1.00 0.00 N ATOM 620 CA THR A 42 -7.689 -10.746 1.429 1.00 0.00 C ATOM 621 C THR A 42 -6.418 -10.283 0.715 1.00 0.00 C ATOM 622 O THR A 42 -6.339 -10.308 -0.514 1.00 0.00 O ATOM 623 CB THR A 42 -8.596 -11.501 0.439 1.00 0.00 C ATOM 624 OG1 THR A 42 -9.421 -10.567 -0.277 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.473 -12.510 1.165 1.00 0.00 C ATOM 0 H THR A 42 -8.559 -8.846 1.379 1.00 0.00 H new ATOM 0 HA THR A 42 -7.412 -11.423 2.237 1.00 0.00 H new ATOM 0 HB THR A 42 -7.961 -12.040 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.994 -11.052 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.104 -13.029 0.444 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.843 -13.233 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.101 -11.991 1.889 1.00 0.00 H new ATOM 633 N PRO A 43 -5.401 -9.850 1.478 1.00 0.00 N ATOM 634 CA PRO A 43 -4.163 -9.332 0.922 1.00 0.00 C ATOM 635 C PRO A 43 -3.095 -10.412 0.766 1.00 0.00 C ATOM 636 O PRO A 43 -1.948 -10.110 0.434 1.00 0.00 O ATOM 637 CB PRO A 43 -3.737 -8.308 1.972 1.00 0.00 C ATOM 638 CG PRO A 43 -4.297 -8.806 3.270 1.00 0.00 C ATOM 639 CD PRO A 43 -5.370 -9.823 2.948 1.00 0.00 C ATOM 0 HA PRO A 43 -4.294 -8.925 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.651 -8.224 2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.123 -7.317 1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.512 -9.257 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.713 -7.981 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.129 -10.803 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.335 -9.531 3.363 1.00 0.00 H new ATOM 647 N GLU A 44 -3.484 -11.661 1.045 1.00 0.00 N ATOM 648 CA GLU A 44 -2.596 -12.829 0.971 1.00 0.00 C ATOM 649 C GLU A 44 -1.580 -12.838 2.119 1.00 0.00 C ATOM 650 O GLU A 44 -1.322 -13.879 2.724 1.00 0.00 O ATOM 651 CB GLU A 44 -1.877 -12.898 -0.384 1.00 0.00 C ATOM 652 CG GLU A 44 -1.071 -14.172 -0.583 1.00 0.00 C ATOM 653 CD GLU A 44 -1.941 -15.413 -0.617 1.00 0.00 C ATOM 654 OE1 GLU A 44 -2.437 -15.833 0.450 1.00 0.00 O ATOM 655 OE2 GLU A 44 -2.130 -15.980 -1.715 1.00 0.00 O ATOM 0 H GLU A 44 -4.435 -11.893 1.332 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.223 -13.715 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.615 -12.817 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.212 -12.039 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.510 -14.101 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.342 -14.266 0.222 1.00 0.00 H new ATOM 662 N GLU A 45 -1.007 -11.681 2.406 1.00 0.00 N ATOM 663 CA GLU A 45 -0.049 -11.540 3.492 1.00 0.00 C ATOM 664 C GLU A 45 -0.731 -11.739 4.850 1.00 0.00 C ATOM 665 O GLU A 45 -0.660 -12.822 5.431 1.00 0.00 O ATOM 666 CB GLU A 45 0.625 -10.164 3.403 1.00 0.00 C ATOM 667 CG GLU A 45 1.612 -9.873 4.522 1.00 0.00 C ATOM 668 CD GLU A 45 2.757 -10.859 4.573 1.00 0.00 C ATOM 669 OE1 GLU A 45 3.744 -10.667 3.838 1.00 0.00 O ATOM 670 OE2 GLU A 45 2.680 -11.813 5.368 1.00 0.00 O ATOM 0 H GLU A 45 -1.191 -10.817 1.896 1.00 0.00 H new ATOM 0 HA GLU A 45 0.716 -12.311 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.145 -10.089 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.147 -9.394 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.012 -8.867 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.085 -9.887 5.476 1.00 0.00 H new ATOM 677 N GLU A 46 -1.410 -10.704 5.341 1.00 0.00 N ATOM 678 CA GLU A 46 -2.098 -10.784 6.626 1.00 0.00 C ATOM 679 C GLU A 46 -3.453 -10.081 6.568 1.00 0.00 C ATOM 680 O GLU A 46 -4.464 -10.700 6.241 1.00 0.00 O ATOM 681 CB GLU A 46 -1.235 -10.188 7.745 1.00 0.00 C ATOM 682 CG GLU A 46 0.005 -11.010 8.062 1.00 0.00 C ATOM 683 CD GLU A 46 0.890 -10.360 9.104 1.00 0.00 C ATOM 684 OE1 GLU A 46 0.620 -10.535 10.311 1.00 0.00 O ATOM 685 OE2 GLU A 46 1.861 -9.675 8.721 1.00 0.00 O ATOM 0 H GLU A 46 -1.498 -9.804 4.870 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.269 -11.838 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.930 -9.181 7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.839 -10.094 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.299 -11.996 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.579 -11.161 7.148 1.00 0.00 H new ATOM 692 N GLY A 47 -3.469 -8.786 6.862 1.00 0.00 N ATOM 693 CA GLY A 47 -4.706 -8.029 6.796 1.00 0.00 C ATOM 694 C GLY A 47 -4.639 -6.728 7.573 1.00 0.00 C ATOM 695 O GLY A 47 -4.196 -5.705 7.050 1.00 0.00 O ATOM 0 H GLY A 47 -2.650 -8.247 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.940 -7.813 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.521 -8.639 7.186 1.00 0.00 H new ATOM 699 N MET A 48 -5.054 -6.763 8.828 1.00 0.00 N ATOM 700 CA MET A 48 -5.067 -5.577 9.666 1.00 0.00 C ATOM 701 C MET A 48 -3.650 -5.037 9.926 1.00 0.00 C ATOM 702 O MET A 48 -3.411 -3.833 9.806 1.00 0.00 O ATOM 703 CB MET A 48 -5.835 -5.872 10.961 1.00 0.00 C ATOM 704 CG MET A 48 -5.813 -4.744 11.973 1.00 0.00 C ATOM 705 SD MET A 48 -4.316 -4.747 12.976 1.00 0.00 S ATOM 706 CE MET A 48 -4.460 -3.142 13.737 1.00 0.00 C ATOM 0 H MET A 48 -5.389 -7.608 9.292 1.00 0.00 H new ATOM 0 HA MET A 48 -5.588 -4.779 9.137 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.871 -6.099 10.711 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.415 -6.766 11.422 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.895 -3.790 11.451 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.683 -4.827 12.624 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.609 -2.975 14.397 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.476 -2.373 12.964 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.383 -3.095 14.315 1.00 0.00 H new ATOM 716 N PRO A 49 -2.672 -5.893 10.257 1.00 0.00 N ATOM 717 CA PRO A 49 -1.284 -5.452 10.396 1.00 0.00 C ATOM 718 C PRO A 49 -0.741 -4.989 9.057 1.00 0.00 C ATOM 719 O PRO A 49 0.092 -4.085 8.987 1.00 0.00 O ATOM 720 CB PRO A 49 -0.548 -6.708 10.874 1.00 0.00 C ATOM 721 CG PRO A 49 -1.624 -7.587 11.401 1.00 0.00 C ATOM 722 CD PRO A 49 -2.809 -7.324 10.533 1.00 0.00 C ATOM 0 HA PRO A 49 -1.170 -4.612 11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.007 -7.187 10.058 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.185 -6.470 11.645 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.331 -8.636 11.359 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.842 -7.359 12.444 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.787 -7.920 9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.746 -7.554 11.041 1.00 0.00 H new ATOM 730 N LEU A 50 -1.254 -5.614 7.998 1.00 0.00 N ATOM 731 CA LEU A 50 -0.862 -5.300 6.633 1.00 0.00 C ATOM 732 C LEU A 50 -1.140 -3.829 6.334 1.00 0.00 C ATOM 733 O LEU A 50 -0.272 -3.125 5.835 1.00 0.00 O ATOM 734 CB LEU A 50 -1.637 -6.221 5.670 1.00 0.00 C ATOM 735 CG LEU A 50 -1.178 -6.276 4.203 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.408 -4.959 3.486 1.00 0.00 C ATOM 737 CD2 LEU A 50 0.281 -6.669 4.108 1.00 0.00 C ATOM 0 H LEU A 50 -1.954 -6.353 8.067 1.00 0.00 H new ATOM 0 HA LEU A 50 0.207 -5.468 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.598 -7.234 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.683 -5.914 5.682 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.784 -7.036 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.070 -5.043 2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.471 -4.717 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.849 -4.169 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.582 -6.701 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.890 -5.937 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.423 -7.652 4.556 1.00 0.00 H new ATOM 749 N ARG A 51 -2.332 -3.360 6.689 1.00 0.00 N ATOM 750 CA ARG A 51 -2.686 -1.965 6.465 1.00 0.00 C ATOM 751 C ARG A 51 -1.891 -1.051 7.386 1.00 0.00 C ATOM 752 O ARG A 51 -1.419 -0.006 6.956 1.00 0.00 O ATOM 753 CB ARG A 51 -4.194 -1.730 6.638 1.00 0.00 C ATOM 754 CG ARG A 51 -4.723 -2.071 8.019 1.00 0.00 C ATOM 755 CD ARG A 51 -6.239 -2.075 8.070 1.00 0.00 C ATOM 756 NE ARG A 51 -6.812 -0.740 7.950 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.063 -0.507 7.561 1.00 0.00 C ATOM 758 NH1 ARG A 51 -8.841 -1.509 7.177 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.535 0.730 7.548 1.00 0.00 N ATOM 0 H ARG A 51 -3.062 -3.920 7.129 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.430 -1.723 5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.414 -0.684 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.730 -2.325 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.349 -3.050 8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.339 -1.350 8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.623 -2.704 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.565 -2.522 9.009 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.221 0.060 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.481 -2.464 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.799 -1.326 6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.939 1.506 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.494 0.907 7.249 1.00 0.00 H new ATOM 773 N ALA A 52 -1.724 -1.455 8.640 1.00 0.00 N ATOM 774 CA ALA A 52 -0.989 -0.640 9.595 1.00 0.00 C ATOM 775 C ALA A 52 0.440 -0.382 9.122 1.00 0.00 C ATOM 776 O ALA A 52 0.880 0.768 9.069 1.00 0.00 O ATOM 777 CB ALA A 52 -0.984 -1.304 10.963 1.00 0.00 C ATOM 0 H ALA A 52 -2.084 -2.333 9.015 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.494 0.323 9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.430 -0.683 11.667 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.009 -1.424 11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.509 -2.282 10.891 1.00 0.00 H new ATOM 783 N TRP A 53 1.154 -1.440 8.734 1.00 0.00 N ATOM 784 CA TRP A 53 2.534 -1.276 8.299 1.00 0.00 C ATOM 785 C TRP A 53 2.595 -0.635 6.914 1.00 0.00 C ATOM 786 O TRP A 53 3.470 0.186 6.648 1.00 0.00 O ATOM 787 CB TRP A 53 3.312 -2.610 8.347 1.00 0.00 C ATOM 788 CG TRP A 53 3.126 -3.530 7.177 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.335 -4.635 7.134 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.774 -3.449 5.901 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.425 -5.231 5.903 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.297 -4.519 5.127 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.694 -2.567 5.334 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.710 -4.733 3.819 1.00 0.00 C ATOM 795 CZ3 TRP A 53 5.108 -2.781 4.036 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.612 -3.855 3.288 1.00 0.00 C ATOM 0 H TRP A 53 0.806 -2.398 8.713 1.00 0.00 H new ATOM 0 HA TRP A 53 3.025 -0.600 9.000 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.374 -2.383 8.439 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.021 -3.144 9.252 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.725 -4.991 7.951 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.923 -6.070 5.613 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.075 -1.731 5.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.332 -5.564 3.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.826 -2.109 3.590 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.949 -3.992 2.271 1.00 0.00 H new ATOM 807 N VAL A 54 1.658 -0.998 6.041 1.00 0.00 N ATOM 808 CA VAL A 54 1.674 -0.518 4.666 1.00 0.00 C ATOM 809 C VAL A 54 1.341 0.975 4.604 1.00 0.00 C ATOM 810 O VAL A 54 1.989 1.728 3.879 1.00 0.00 O ATOM 811 CB VAL A 54 0.724 -1.348 3.762 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.658 -0.729 3.648 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.332 -1.556 2.387 1.00 0.00 C ATOM 0 H VAL A 54 0.881 -1.621 6.263 1.00 0.00 H new ATOM 0 HA VAL A 54 2.685 -0.651 4.280 1.00 0.00 H new ATOM 0 HB VAL A 54 0.600 -2.319 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.282 -1.349 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.110 -0.663 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.575 0.270 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.648 -2.140 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.507 -0.589 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.278 -2.089 2.484 1.00 0.00 H new ATOM 823 N ILE A 55 0.350 1.401 5.385 1.00 0.00 N ATOM 824 CA ILE A 55 -0.001 2.809 5.467 1.00 0.00 C ATOM 825 C ILE A 55 1.123 3.597 6.130 1.00 0.00 C ATOM 826 O ILE A 55 1.444 4.706 5.704 1.00 0.00 O ATOM 827 CB ILE A 55 -1.328 3.013 6.232 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.484 2.402 5.438 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.580 4.486 6.505 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.808 2.402 6.170 1.00 0.00 C ATOM 0 H ILE A 55 -0.221 0.789 5.968 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.141 3.181 4.452 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.256 2.507 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.598 2.951 4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.227 1.376 5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.520 4.600 7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.765 4.889 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.636 5.027 5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.573 1.952 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.714 1.827 7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.092 3.427 6.409 1.00 0.00 H new ATOM 842 N LYS A 56 1.735 3.017 7.160 1.00 0.00 N ATOM 843 CA LYS A 56 2.889 3.641 7.796 1.00 0.00 C ATOM 844 C LYS A 56 4.044 3.764 6.813 1.00 0.00 C ATOM 845 O LYS A 56 4.608 4.840 6.651 1.00 0.00 O ATOM 846 CB LYS A 56 3.337 2.859 9.032 1.00 0.00 C ATOM 847 CG LYS A 56 2.547 3.188 10.291 1.00 0.00 C ATOM 848 CD LYS A 56 2.698 4.653 10.695 1.00 0.00 C ATOM 849 CE LYS A 56 4.157 5.048 10.894 1.00 0.00 C ATOM 850 NZ LYS A 56 4.830 4.222 11.932 1.00 0.00 N ATOM 0 H LYS A 56 1.454 2.125 7.567 1.00 0.00 H new ATOM 0 HA LYS A 56 2.586 4.638 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.247 1.792 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.393 3.061 9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.493 2.964 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.885 2.550 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.253 5.287 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.146 4.833 11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.691 4.945 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.211 6.099 11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.780 4.603 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.272 4.244 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.909 3.241 11.597 1.00 0.00 H new ATOM 864 N CYS A 57 4.374 2.666 6.143 1.00 0.00 N ATOM 865 CA CYS A 57 5.466 2.654 5.178 1.00 0.00 C ATOM 866 C CYS A 57 5.212 3.664 4.061 1.00 0.00 C ATOM 867 O CYS A 57 6.117 4.396 3.656 1.00 0.00 O ATOM 868 CB CYS A 57 5.641 1.254 4.587 1.00 0.00 C ATOM 869 SG CYS A 57 7.038 1.103 3.450 1.00 0.00 S ATOM 0 H CYS A 57 3.899 1.770 6.251 1.00 0.00 H new ATOM 0 HA CYS A 57 6.382 2.935 5.699 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.770 0.541 5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.727 0.976 4.062 1.00 0.00 H new ATOM 0 HG CYS A 57 7.236 -0.151 3.170 1.00 0.00 H new ATOM 875 N ALA A 58 3.977 3.701 3.571 1.00 0.00 N ATOM 876 CA ALA A 58 3.590 4.659 2.548 1.00 0.00 C ATOM 877 C ALA A 58 3.703 6.081 3.078 1.00 0.00 C ATOM 878 O ALA A 58 4.174 6.975 2.381 1.00 0.00 O ATOM 879 CB ALA A 58 2.174 4.385 2.070 1.00 0.00 C ATOM 0 H ALA A 58 3.228 3.076 3.868 1.00 0.00 H new ATOM 0 HA ALA A 58 4.269 4.550 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.901 5.112 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.119 3.380 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.484 4.467 2.910 1.00 0.00 H new ATOM 885 N HIS A 59 3.282 6.275 4.322 1.00 0.00 N ATOM 886 CA HIS A 59 3.345 7.584 4.963 1.00 0.00 C ATOM 887 C HIS A 59 4.798 8.038 5.104 1.00 0.00 C ATOM 888 O HIS A 59 5.131 9.184 4.800 1.00 0.00 O ATOM 889 CB HIS A 59 2.661 7.532 6.341 1.00 0.00 C ATOM 890 CG HIS A 59 2.334 8.882 6.909 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.572 9.070 8.045 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.655 10.115 6.473 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.442 10.367 8.272 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.094 11.021 7.334 1.00 0.00 N ATOM 0 H HIS A 59 2.891 5.539 4.910 1.00 0.00 H new ATOM 0 HA HIS A 59 2.818 8.306 4.339 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.742 6.951 6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.310 7.003 7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.248 10.348 5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.894 10.813 9.088 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.169 12.036 7.260 1.00 0.00 H new ATOM 903 N GLU A 60 5.655 7.126 5.551 1.00 0.00 N ATOM 904 CA GLU A 60 7.072 7.415 5.733 1.00 0.00 C ATOM 905 C GLU A 60 7.732 7.781 4.410 1.00 0.00 C ATOM 906 O GLU A 60 8.462 8.767 4.324 1.00 0.00 O ATOM 907 CB GLU A 60 7.788 6.207 6.338 1.00 0.00 C ATOM 908 CG GLU A 60 7.270 5.802 7.707 1.00 0.00 C ATOM 909 CD GLU A 60 7.411 6.903 8.732 1.00 0.00 C ATOM 910 OE1 GLU A 60 8.554 7.189 9.149 1.00 0.00 O ATOM 911 OE2 GLU A 60 6.385 7.477 9.141 1.00 0.00 O ATOM 0 H GLU A 60 5.389 6.172 5.796 1.00 0.00 H new ATOM 0 HA GLU A 60 7.152 8.264 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.688 5.361 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.852 6.430 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.220 5.520 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.812 4.920 8.050 1.00 0.00 H new ATOM 918 N ALA A 61 7.466 6.982 3.383 1.00 0.00 N ATOM 919 CA ALA A 61 8.057 7.203 2.071 1.00 0.00 C ATOM 920 C ALA A 61 7.550 8.498 1.451 1.00 0.00 C ATOM 921 O ALA A 61 8.324 9.293 0.921 1.00 0.00 O ATOM 922 CB ALA A 61 7.754 6.025 1.155 1.00 0.00 C ATOM 0 H ALA A 61 6.844 6.175 3.435 1.00 0.00 H new ATOM 0 HA ALA A 61 9.137 7.289 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.201 6.201 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.169 5.114 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.675 5.916 1.047 1.00 0.00 H new ATOM 928 N LEU A 62 6.247 8.717 1.550 1.00 0.00 N ATOM 929 CA LEU A 62 5.611 9.865 0.926 1.00 0.00 C ATOM 930 C LEU A 62 6.098 11.171 1.550 1.00 0.00 C ATOM 931 O LEU A 62 6.452 12.094 0.835 1.00 0.00 O ATOM 932 CB LEU A 62 4.085 9.724 1.023 1.00 0.00 C ATOM 933 CG LEU A 62 3.231 10.694 0.188 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.260 12.106 0.748 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.685 10.687 -1.261 1.00 0.00 C ATOM 0 H LEU A 62 5.607 8.109 2.061 1.00 0.00 H new ATOM 0 HA LEU A 62 5.888 9.896 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.821 8.707 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.802 9.840 2.069 1.00 0.00 H new ATOM 0 HG LEU A 62 2.199 10.346 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.644 12.756 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.871 12.102 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.286 12.475 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.071 11.378 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.729 10.996 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.582 9.682 -1.670 1.00 0.00 H new ATOM 947 N GLU A 63 6.132 11.252 2.874 1.00 0.00 N ATOM 948 CA GLU A 63 6.560 12.486 3.530 1.00 0.00 C ATOM 949 C GLU A 63 8.061 12.716 3.380 1.00 0.00 C ATOM 950 O GLU A 63 8.521 13.858 3.412 1.00 0.00 O ATOM 951 CB GLU A 63 6.183 12.501 5.010 1.00 0.00 C ATOM 952 CG GLU A 63 4.757 12.958 5.277 1.00 0.00 C ATOM 953 CD GLU A 63 4.527 13.299 6.736 1.00 0.00 C ATOM 954 OE1 GLU A 63 5.510 13.640 7.432 1.00 0.00 O ATOM 955 OE2 GLU A 63 3.367 13.249 7.194 1.00 0.00 O ATOM 0 H GLU A 63 5.874 10.495 3.507 1.00 0.00 H new ATOM 0 HA GLU A 63 6.033 13.298 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.316 11.499 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.871 13.157 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.536 13.831 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.064 12.173 4.976 1.00 0.00 H new ATOM 962 N LYS A 64 8.820 11.638 3.226 1.00 0.00 N ATOM 963 CA LYS A 64 10.273 11.741 3.101 1.00 0.00 C ATOM 964 C LYS A 64 10.642 12.335 1.747 1.00 0.00 C ATOM 965 O LYS A 64 11.559 13.153 1.637 1.00 0.00 O ATOM 966 CB LYS A 64 10.918 10.365 3.279 1.00 0.00 C ATOM 967 CG LYS A 64 12.441 10.386 3.249 1.00 0.00 C ATOM 968 CD LYS A 64 13.031 9.046 3.672 1.00 0.00 C ATOM 969 CE LYS A 64 13.077 8.879 5.193 1.00 0.00 C ATOM 970 NZ LYS A 64 11.732 8.955 5.831 1.00 0.00 N ATOM 0 H LYS A 64 8.458 10.685 3.184 1.00 0.00 H new ATOM 0 HA LYS A 64 10.649 12.401 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.589 9.941 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.558 9.702 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.782 10.633 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.807 11.170 3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.439 8.239 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.040 8.953 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.533 7.918 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.718 9.651 5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.780 8.558 6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.428 9.948 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.048 8.412 5.266 1.00 0.00 H new ATOM 984 N ASN A 65 9.902 11.932 0.731 1.00 0.00 N ATOM 985 CA ASN A 65 10.076 12.447 -0.615 1.00 0.00 C ATOM 986 C ASN A 65 8.705 12.747 -1.221 1.00 0.00 C ATOM 987 O ASN A 65 8.213 12.023 -2.089 1.00 0.00 O ATOM 988 CB ASN A 65 10.879 11.464 -1.490 1.00 0.00 C ATOM 989 CG ASN A 65 10.433 10.013 -1.359 1.00 0.00 C ATOM 990 OD1 ASN A 65 10.988 9.248 -0.569 1.00 0.00 O ATOM 991 ND2 ASN A 65 9.418 9.636 -2.118 1.00 0.00 N ATOM 0 H ASN A 65 9.161 11.236 0.816 1.00 0.00 H new ATOM 0 HA ASN A 65 10.652 13.372 -0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.792 11.768 -2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.934 11.535 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.067 8.680 -2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.986 10.301 -2.760 1.00 0.00 H new ATOM 998 N PRO A 66 8.079 13.851 -0.776 1.00 0.00 N ATOM 999 CA PRO A 66 6.676 14.168 -1.085 1.00 0.00 C ATOM 1000 C PRO A 66 6.466 14.674 -2.508 1.00 0.00 C ATOM 1001 O PRO A 66 5.547 15.449 -2.776 1.00 0.00 O ATOM 1002 CB PRO A 66 6.353 15.262 -0.065 1.00 0.00 C ATOM 1003 CG PRO A 66 7.648 15.969 0.126 1.00 0.00 C ATOM 1004 CD PRO A 66 8.701 14.897 0.060 1.00 0.00 C ATOM 0 HA PRO A 66 6.036 13.288 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.581 15.937 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.987 14.840 0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.803 16.721 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.675 16.488 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.624 15.269 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.953 14.521 1.052 1.00 0.00 H new ATOM 1012 N LYS A 67 7.316 14.224 -3.415 1.00 0.00 N ATOM 1013 CA LYS A 67 7.221 14.607 -4.812 1.00 0.00 C ATOM 1014 C LYS A 67 7.161 13.369 -5.694 1.00 0.00 C ATOM 1015 O LYS A 67 7.551 13.398 -6.865 1.00 0.00 O ATOM 1016 CB LYS A 67 8.405 15.492 -5.198 1.00 0.00 C ATOM 1017 CG LYS A 67 8.481 16.763 -4.374 1.00 0.00 C ATOM 1018 CD LYS A 67 9.721 17.573 -4.694 1.00 0.00 C ATOM 1019 CE LYS A 67 9.797 18.807 -3.817 1.00 0.00 C ATOM 1020 NZ LYS A 67 8.651 19.725 -4.056 1.00 0.00 N ATOM 0 H LYS A 67 8.085 13.588 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 67 6.304 15.177 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.330 14.928 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.329 15.753 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.594 17.369 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.477 16.509 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.610 16.960 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.708 17.867 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.811 18.508 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.731 19.334 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.845 20.645 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.518 19.856 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.788 19.317 -3.644 1.00 0.00 H new ATOM 1034 N ILE A 68 6.680 12.275 -5.117 1.00 0.00 N ATOM 1035 CA ILE A 68 6.481 11.046 -5.865 1.00 0.00 C ATOM 1036 C ILE A 68 5.028 10.887 -6.262 1.00 0.00 C ATOM 1037 O ILE A 68 4.179 11.723 -5.938 1.00 0.00 O ATOM 1038 CB ILE A 68 6.922 9.788 -5.087 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.270 9.727 -3.690 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.437 9.736 -5.006 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.448 8.392 -2.998 1.00 0.00 C ATOM 0 H ILE A 68 6.421 12.217 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 68 7.109 11.132 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 68 6.578 8.907 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.696 10.511 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.205 9.939 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.742 8.846 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.854 9.701 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.805 10.624 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.965 8.421 -2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.997 7.606 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.511 8.187 -2.871 1.00 0.00 H new ATOM 1053 N ARG A 69 4.758 9.802 -6.957 1.00 0.00 N ATOM 1054 CA ARG A 69 3.425 9.534 -7.479 1.00 0.00 C ATOM 1055 C ARG A 69 2.889 8.246 -6.886 1.00 0.00 C ATOM 1056 O ARG A 69 1.697 8.114 -6.632 1.00 0.00 O ATOM 1057 CB ARG A 69 3.451 9.387 -8.999 1.00 0.00 C ATOM 1058 CG ARG A 69 4.252 10.448 -9.728 1.00 0.00 C ATOM 1059 CD ARG A 69 4.291 10.158 -11.220 1.00 0.00 C ATOM 1060 NE ARG A 69 4.659 8.764 -11.492 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.440 8.375 -12.499 1.00 0.00 C ATOM 1062 NH1 ARG A 69 5.960 9.266 -13.337 1.00 0.00 N ATOM 1063 NH2 ARG A 69 5.697 7.086 -12.669 1.00 0.00 N ATOM 0 H ARG A 69 5.447 9.083 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 69 2.786 10.375 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.860 8.408 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.426 9.408 -9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.810 11.429 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.267 10.481 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.315 10.369 -11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.007 10.824 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 69 4.292 8.045 -10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.763 10.259 -13.213 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.557 8.957 -14.104 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.298 6.398 -12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.294 6.782 -13.438 1.00 0.00 H new ATOM 1077 N GLU A 70 3.782 7.286 -6.704 1.00 0.00 N ATOM 1078 CA GLU A 70 3.423 5.991 -6.166 1.00 0.00 C ATOM 1079 C GLU A 70 4.677 5.251 -5.713 1.00 0.00 C ATOM 1080 O GLU A 70 5.796 5.675 -6.006 1.00 0.00 O ATOM 1081 CB GLU A 70 2.652 5.164 -7.210 1.00 0.00 C ATOM 1082 CG GLU A 70 3.477 4.709 -8.414 1.00 0.00 C ATOM 1083 CD GLU A 70 3.949 5.845 -9.303 1.00 0.00 C ATOM 1084 OE1 GLU A 70 3.207 6.235 -10.224 1.00 0.00 O ATOM 1085 OE2 GLU A 70 5.074 6.337 -9.101 1.00 0.00 O ATOM 0 H GLU A 70 4.773 7.386 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 70 2.772 6.137 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.238 4.283 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.809 5.755 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.345 4.155 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.881 4.018 -9.010 1.00 0.00 H new ATOM 1092 N VAL A 71 4.487 4.163 -4.987 1.00 0.00 N ATOM 1093 CA VAL A 71 5.594 3.359 -4.514 1.00 0.00 C ATOM 1094 C VAL A 71 5.280 1.883 -4.724 1.00 0.00 C ATOM 1095 O VAL A 71 4.116 1.475 -4.686 1.00 0.00 O ATOM 1096 CB VAL A 71 5.897 3.641 -3.020 1.00 0.00 C ATOM 1097 CG1 VAL A 71 4.742 3.220 -2.128 1.00 0.00 C ATOM 1098 CG2 VAL A 71 7.190 2.973 -2.580 1.00 0.00 C ATOM 0 H VAL A 71 3.568 3.816 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 71 6.483 3.624 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 71 6.023 4.719 -2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.989 3.432 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.846 3.773 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.561 2.152 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.372 3.191 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.108 1.895 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.018 3.354 -3.178 1.00 0.00 H new ATOM 1108 N TYR A 72 6.305 1.083 -4.958 1.00 0.00 N ATOM 1109 CA TYR A 72 6.109 -0.337 -5.178 1.00 0.00 C ATOM 1110 C TYR A 72 6.651 -1.093 -3.992 1.00 0.00 C ATOM 1111 O TYR A 72 7.840 -1.040 -3.681 1.00 0.00 O ATOM 1112 CB TYR A 72 6.786 -0.782 -6.478 1.00 0.00 C ATOM 1113 CG TYR A 72 6.505 0.140 -7.647 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.218 0.294 -8.144 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.528 0.865 -8.247 1.00 0.00 C ATOM 1116 CE1 TYR A 72 4.959 1.141 -9.205 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.277 1.713 -9.308 1.00 0.00 C ATOM 1118 CZ TYR A 72 5.990 1.848 -9.783 1.00 0.00 C ATOM 1119 OH TYR A 72 5.734 2.698 -10.839 1.00 0.00 O ATOM 0 H TYR A 72 7.276 1.391 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 72 5.045 -0.550 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.863 -0.837 -6.318 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.449 -1.788 -6.729 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.406 -0.257 -7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.537 0.763 -7.877 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.952 1.248 -9.580 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.085 2.267 -9.763 1.00 0.00 H new ATOM 0 HH TYR A 72 6.569 3.120 -11.129 1.00 0.00 H new ATOM 1129 N LEU A 73 5.751 -1.780 -3.326 1.00 0.00 N ATOM 1130 CA LEU A 73 6.012 -2.289 -2.007 1.00 0.00 C ATOM 1131 C LEU A 73 5.643 -3.769 -1.893 1.00 0.00 C ATOM 1132 O LEU A 73 4.564 -4.183 -2.312 1.00 0.00 O ATOM 1133 CB LEU A 73 5.199 -1.437 -1.037 1.00 0.00 C ATOM 1134 CG LEU A 73 5.351 -1.772 0.430 1.00 0.00 C ATOM 1135 CD1 LEU A 73 6.808 -1.675 0.860 1.00 0.00 C ATOM 1136 CD2 LEU A 73 4.478 -0.844 1.259 1.00 0.00 C ATOM 0 H LEU A 73 4.822 -1.999 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 73 7.076 -2.228 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.477 -0.393 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.145 -1.526 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 73 5.027 -2.800 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.892 -1.920 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.407 -2.375 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.170 -0.661 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.589 -1.087 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.783 0.189 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.435 -0.967 0.966 1.00 0.00 H new ATOM 1148 N LYS A 74 6.545 -4.563 -1.331 1.00 0.00 N ATOM 1149 CA LYS A 74 6.291 -5.979 -1.118 1.00 0.00 C ATOM 1150 C LYS A 74 6.123 -6.273 0.367 1.00 0.00 C ATOM 1151 O LYS A 74 6.899 -5.787 1.192 1.00 0.00 O ATOM 1152 CB LYS A 74 7.407 -6.873 -1.664 1.00 0.00 C ATOM 1153 CG LYS A 74 7.114 -8.333 -1.363 1.00 0.00 C ATOM 1154 CD LYS A 74 8.275 -9.263 -1.617 1.00 0.00 C ATOM 1155 CE LYS A 74 7.986 -10.614 -0.982 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.240 -10.610 0.483 1.00 0.00 N ATOM 0 H LYS A 74 7.462 -4.248 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 74 5.375 -6.206 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.502 -6.729 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.360 -6.588 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.812 -8.424 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.267 -8.654 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.435 -9.379 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.191 -8.842 -1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.947 -10.887 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.606 -11.376 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.716 -11.390 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.258 -10.732 0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.925 -9.705 0.888 1.00 0.00 H new ATOM 1170 N PRO A 75 5.091 -7.053 0.724 1.00 0.00 N ATOM 1171 CA PRO A 75 4.849 -7.455 2.107 1.00 0.00 C ATOM 1172 C PRO A 75 5.989 -8.271 2.703 1.00 0.00 C ATOM 1173 O PRO A 75 6.801 -8.871 1.995 1.00 0.00 O ATOM 1174 CB PRO A 75 3.570 -8.286 2.033 1.00 0.00 C ATOM 1175 CG PRO A 75 3.475 -8.721 0.618 1.00 0.00 C ATOM 1176 CD PRO A 75 4.084 -7.616 -0.191 1.00 0.00 C ATOM 0 HA PRO A 75 4.766 -6.586 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.616 -9.142 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.700 -7.698 2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.007 -9.659 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.438 -8.890 0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.537 -7.990 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.342 -6.872 -0.482 1.00 0.00 H new ATOM 1184 N ARG A 76 6.011 -8.265 4.034 1.00 0.00 N ATOM 1185 CA ARG A 76 7.155 -8.706 4.826 1.00 0.00 C ATOM 1186 C ARG A 76 7.486 -10.163 4.598 1.00 0.00 C ATOM 1187 O ARG A 76 8.657 -10.524 4.482 1.00 0.00 O ATOM 1188 CB ARG A 76 6.865 -8.513 6.312 1.00 0.00 C ATOM 1189 CG ARG A 76 6.149 -7.203 6.629 1.00 0.00 C ATOM 1190 CD ARG A 76 5.896 -7.030 8.119 1.00 0.00 C ATOM 1191 NE ARG A 76 4.929 -7.997 8.645 1.00 0.00 N ATOM 1192 CZ ARG A 76 4.905 -8.416 9.910 1.00 0.00 C ATOM 1193 NH1 ARG A 76 5.842 -8.018 10.762 1.00 0.00 N ATOM 1194 NH2 ARG A 76 3.943 -9.232 10.327 1.00 0.00 N ATOM 0 H ARG A 76 5.223 -7.949 4.600 1.00 0.00 H new ATOM 0 HA ARG A 76 8.006 -8.102 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.256 -9.345 6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.804 -8.547 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.747 -6.367 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.199 -7.172 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.838 -7.135 8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.532 -6.020 8.307 1.00 0.00 H new ATOM 0 HE ARG A 76 4.231 -8.373 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.582 -7.390 10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.821 -8.340 11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.219 -9.540 9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.929 -9.550 11.296 1.00 0.00 H new ATOM 1208 N ALA A 77 6.456 -10.997 4.547 1.00 0.00 N ATOM 1209 CA ALA A 77 6.653 -12.425 4.472 1.00 0.00 C ATOM 1210 C ALA A 77 7.285 -12.815 3.155 1.00 0.00 C ATOM 1211 O ALA A 77 6.730 -12.597 2.079 1.00 0.00 O ATOM 1212 CB ALA A 77 5.342 -13.168 4.674 1.00 0.00 C ATOM 0 H ALA A 77 5.479 -10.703 4.557 1.00 0.00 H new ATOM 0 HA ALA A 77 7.333 -12.709 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.519 -14.242 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.932 -12.923 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.633 -12.872 3.900 1.00 0.00 H new ATOM 1218 N VAL A 78 8.472 -13.363 3.246 1.00 0.00 N ATOM 1219 CA VAL A 78 9.133 -13.947 2.087 1.00 0.00 C ATOM 1220 C VAL A 78 8.373 -15.200 1.641 1.00 0.00 C ATOM 1221 O VAL A 78 8.512 -15.665 0.509 1.00 0.00 O ATOM 1222 CB VAL A 78 10.605 -14.304 2.402 1.00 0.00 C ATOM 1223 CG1 VAL A 78 11.334 -14.776 1.152 1.00 0.00 C ATOM 1224 CG2 VAL A 78 11.322 -13.111 3.019 1.00 0.00 C ATOM 0 H VAL A 78 9.009 -13.421 4.112 1.00 0.00 H new ATOM 0 HA VAL A 78 9.131 -13.211 1.283 1.00 0.00 H new ATOM 0 HB VAL A 78 10.607 -15.122 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.366 -15.020 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.838 -15.662 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.320 -13.985 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.356 -13.380 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.302 -12.274 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.822 -12.824 3.944 1.00 0.00 H new ATOM 1234 N LYS A 79 7.525 -15.702 2.542 1.00 0.00 N ATOM 1235 CA LYS A 79 6.756 -16.924 2.314 1.00 0.00 C ATOM 1236 C LYS A 79 5.874 -16.826 1.070 1.00 0.00 C ATOM 1237 O LYS A 79 5.763 -17.786 0.310 1.00 0.00 O ATOM 1238 CB LYS A 79 5.869 -17.221 3.528 1.00 0.00 C ATOM 1239 CG LYS A 79 6.618 -17.305 4.850 1.00 0.00 C ATOM 1240 CD LYS A 79 7.609 -18.458 4.870 1.00 0.00 C ATOM 1241 CE LYS A 79 8.249 -18.619 6.242 1.00 0.00 C ATOM 1242 NZ LYS A 79 8.937 -17.377 6.688 1.00 0.00 N ATOM 0 H LYS A 79 7.353 -15.271 3.450 1.00 0.00 H new ATOM 0 HA LYS A 79 7.474 -17.729 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.108 -16.445 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.348 -18.163 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.147 -16.369 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.904 -17.426 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.100 -19.382 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.384 -18.286 4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.483 -18.890 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.966 -19.440 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.485 -17.574 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.578 -17.047 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.230 -16.641 6.888 1.00 0.00 H new ATOM 1256 N ASN A 80 5.246 -15.672 0.854 1.00 0.00 N ATOM 1257 CA ASN A 80 4.377 -15.502 -0.308 1.00 0.00 C ATOM 1258 C ASN A 80 5.196 -15.337 -1.579 1.00 0.00 C ATOM 1259 O ASN A 80 4.807 -15.818 -2.646 1.00 0.00 O ATOM 1260 CB ASN A 80 3.431 -14.320 -0.158 1.00 0.00 C ATOM 1261 CG ASN A 80 4.073 -13.160 0.544 1.00 0.00 C ATOM 1262 OD1 ASN A 80 4.907 -12.450 -0.022 1.00 0.00 O ATOM 1263 ND2 ASN A 80 3.660 -12.943 1.769 1.00 0.00 N ATOM 0 H ASN A 80 5.320 -14.853 1.457 1.00 0.00 H new ATOM 0 HA ASN A 80 3.775 -16.408 -0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.092 -14.002 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.547 -14.634 0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.031 -12.155 2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.967 -13.562 2.191 1.00 0.00 H new ATOM 1270 N SER A 81 6.326 -14.645 -1.439 1.00 0.00 N ATOM 1271 CA SER A 81 7.294 -14.456 -2.518 1.00 0.00 C ATOM 1272 C SER A 81 6.774 -13.518 -3.612 1.00 0.00 C ATOM 1273 O SER A 81 7.328 -12.438 -3.818 1.00 0.00 O ATOM 1274 CB SER A 81 7.704 -15.808 -3.114 1.00 0.00 C ATOM 1275 OG SER A 81 8.192 -16.676 -2.100 1.00 0.00 O ATOM 0 H SER A 81 6.598 -14.196 -0.565 1.00 0.00 H new ATOM 0 HA SER A 81 8.172 -13.979 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.849 -16.266 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.472 -15.659 -3.873 1.00 0.00 H new ATOM 0 HG SER A 81 8.282 -16.180 -1.260 1.00 0.00 H new ATOM 1281 N SER A 82 5.708 -13.914 -4.293 1.00 0.00 N ATOM 1282 CA SER A 82 5.239 -13.184 -5.459 1.00 0.00 C ATOM 1283 C SER A 82 3.898 -12.483 -5.214 1.00 0.00 C ATOM 1284 O SER A 82 2.909 -12.734 -5.906 1.00 0.00 O ATOM 1285 CB SER A 82 5.142 -14.140 -6.647 1.00 0.00 C ATOM 1286 OG SER A 82 4.420 -15.310 -6.300 1.00 0.00 O ATOM 0 H SER A 82 5.153 -14.737 -4.057 1.00 0.00 H new ATOM 0 HA SER A 82 5.961 -12.397 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.651 -13.640 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.143 -14.412 -6.982 1.00 0.00 H new ATOM 0 HG SER A 82 4.370 -15.906 -7.077 1.00 0.00 H new ATOM 1292 N VAL A 83 3.873 -11.604 -4.224 1.00 0.00 N ATOM 1293 CA VAL A 83 2.735 -10.719 -4.011 1.00 0.00 C ATOM 1294 C VAL A 83 3.257 -9.310 -3.759 1.00 0.00 C ATOM 1295 O VAL A 83 4.191 -9.118 -2.980 1.00 0.00 O ATOM 1296 CB VAL A 83 1.827 -11.180 -2.839 1.00 0.00 C ATOM 1297 CG1 VAL A 83 2.580 -11.186 -1.527 1.00 0.00 C ATOM 1298 CG2 VAL A 83 0.591 -10.297 -2.730 1.00 0.00 C ATOM 0 H VAL A 83 4.631 -11.483 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 83 2.113 -10.743 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 83 1.510 -12.200 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.915 -11.513 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.427 -11.868 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.941 -10.181 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.029 -10.640 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.895 -9.265 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.021 -10.353 -3.657 1.00 0.00 H new ATOM 1308 N GLN A 84 2.692 -8.336 -4.451 1.00 0.00 N ATOM 1309 CA GLN A 84 3.178 -6.971 -4.360 1.00 0.00 C ATOM 1310 C GLN A 84 2.029 -5.989 -4.228 1.00 0.00 C ATOM 1311 O GLN A 84 0.976 -6.158 -4.847 1.00 0.00 O ATOM 1312 CB GLN A 84 4.010 -6.624 -5.595 1.00 0.00 C ATOM 1313 CG GLN A 84 5.237 -7.501 -5.762 1.00 0.00 C ATOM 1314 CD GLN A 84 5.987 -7.218 -7.043 1.00 0.00 C ATOM 1315 OE1 GLN A 84 5.994 -6.091 -7.542 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.630 -8.237 -7.584 1.00 0.00 N ATOM 0 H GLN A 84 1.899 -8.464 -5.080 1.00 0.00 H new ATOM 0 HA GLN A 84 3.801 -6.896 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.384 -6.715 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.323 -5.582 -5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.905 -7.350 -4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.935 -8.548 -5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.599 -9.154 -7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.158 -8.107 -8.447 1.00 0.00 H new ATOM 1325 N PHE A 85 2.234 -4.965 -3.421 1.00 0.00 N ATOM 1326 CA PHE A 85 1.267 -3.899 -3.284 1.00 0.00 C ATOM 1327 C PHE A 85 1.764 -2.671 -4.016 1.00 0.00 C ATOM 1328 O PHE A 85 2.876 -2.193 -3.779 1.00 0.00 O ATOM 1329 CB PHE A 85 1.015 -3.552 -1.815 1.00 0.00 C ATOM 1330 CG PHE A 85 0.429 -4.683 -1.020 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.932 -4.937 -1.047 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.241 -5.498 -0.256 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.469 -5.982 -0.323 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.710 -6.545 0.468 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.646 -6.789 0.435 1.00 0.00 C ATOM 0 H PHE A 85 3.070 -4.851 -2.847 1.00 0.00 H new ATOM 0 HA PHE A 85 0.326 -4.239 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.955 -3.246 -1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.342 -2.696 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.580 -4.310 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.305 -5.313 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.533 -6.168 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.357 -7.174 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.063 -7.609 1.001 1.00 0.00 H new ATOM 1345 N HIS A 86 0.956 -2.180 -4.923 1.00 0.00 N ATOM 1346 CA HIS A 86 1.280 -0.965 -5.632 1.00 0.00 C ATOM 1347 C HIS A 86 0.569 0.185 -4.958 1.00 0.00 C ATOM 1348 O HIS A 86 -0.643 0.340 -5.105 1.00 0.00 O ATOM 1349 CB HIS A 86 0.866 -1.051 -7.104 1.00 0.00 C ATOM 1350 CG HIS A 86 1.517 -2.172 -7.849 1.00 0.00 C ATOM 1351 ND1 HIS A 86 0.815 -3.050 -8.641 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.815 -2.550 -7.930 1.00 0.00 C ATOM 1353 CE1 HIS A 86 1.648 -3.920 -9.176 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.867 -3.638 -8.762 1.00 0.00 N ATOM 0 H HIS A 86 0.067 -2.604 -5.189 1.00 0.00 H new ATOM 0 HA HIS A 86 2.359 -0.812 -5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.216 -1.169 -7.161 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.110 -0.110 -7.596 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -0.194 -3.031 -8.791 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.652 -2.082 -7.433 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.378 -4.727 -9.841 1.00 0.00 H new ATOM 1363 N VAL A 87 1.307 0.972 -4.199 1.00 0.00 N ATOM 1364 CA VAL A 87 0.704 2.069 -3.484 1.00 0.00 C ATOM 1365 C VAL A 87 0.764 3.310 -4.343 1.00 0.00 C ATOM 1366 O VAL A 87 1.833 3.863 -4.579 1.00 0.00 O ATOM 1367 CB VAL A 87 1.414 2.333 -2.142 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.879 3.591 -1.492 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.260 1.151 -1.201 1.00 0.00 C ATOM 0 H VAL A 87 2.313 0.871 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.331 1.808 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 87 2.475 2.470 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.394 3.759 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.047 4.442 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.190 3.480 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.771 1.365 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.202 0.976 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.697 0.263 -1.658 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.390 3.738 -4.800 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.486 4.868 -5.692 1.00 0.00 C ATOM 1381 C ILE A 88 -1.012 6.076 -4.949 1.00 0.00 C ATOM 1382 O ILE A 88 -1.972 5.977 -4.186 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.397 4.541 -6.889 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.802 3.384 -7.696 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.590 5.767 -7.769 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.693 2.901 -8.818 1.00 0.00 C ATOM 0 H ILE A 88 -1.287 3.313 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 88 0.511 5.093 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.375 4.240 -6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.154 3.699 -8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.597 2.551 -7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.237 5.514 -8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.049 6.565 -7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.623 6.102 -8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.204 2.081 -9.344 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.641 2.554 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.878 3.719 -9.514 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.376 7.209 -5.167 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.744 8.427 -4.488 1.00 0.00 C ATOM 1400 C PHE A 89 -1.535 9.330 -5.422 1.00 0.00 C ATOM 1401 O PHE A 89 -0.979 9.925 -6.346 1.00 0.00 O ATOM 1402 CB PHE A 89 0.508 9.122 -3.980 1.00 0.00 C ATOM 1403 CG PHE A 89 1.200 8.280 -2.967 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.558 7.956 -1.789 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.466 7.774 -3.204 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.160 7.144 -0.862 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.076 6.963 -2.274 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.417 6.651 -1.105 1.00 0.00 C ATOM 0 H PHE A 89 0.405 7.308 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.380 8.192 -3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.181 9.325 -4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.244 10.084 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.430 8.346 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.978 8.017 -4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.647 6.894 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.066 6.573 -2.460 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.893 6.014 -0.375 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.834 9.416 -5.190 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.717 10.182 -6.062 1.00 0.00 C ATOM 1420 C ASP A 90 -3.757 11.646 -5.656 1.00 0.00 C ATOM 1421 O ASP A 90 -4.016 11.974 -4.498 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.139 9.615 -6.045 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.274 8.317 -6.816 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.080 8.333 -8.052 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.606 7.283 -6.197 1.00 0.00 O ATOM 0 H ASP A 90 -3.304 8.965 -4.405 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.314 10.104 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.445 9.450 -5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.822 10.353 -6.466 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.490 12.522 -6.609 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.585 13.950 -6.375 1.00 0.00 C ATOM 1432 C GLU A 91 -4.922 14.485 -6.857 1.00 0.00 C ATOM 1433 O GLU A 91 -5.317 14.265 -8.003 1.00 0.00 O ATOM 1434 CB GLU A 91 -2.442 14.698 -7.065 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.391 15.216 -6.097 1.00 0.00 C ATOM 1436 CD GLU A 91 -1.915 16.323 -5.199 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -2.861 16.079 -4.420 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -1.376 17.448 -5.263 1.00 0.00 O ATOM 0 H GLU A 91 -3.205 12.267 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.506 14.116 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.966 14.034 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.853 15.537 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.034 14.392 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.535 15.586 -6.661 1.00 0.00 H new