USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1092 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.03 K(o=-2,f=-2.7!) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0115) USER MOD Single : A 43 GLN : amide:sc= -0.215 K(o=-0.22,f=-2.3!) USER MOD Single : A 45 MET CE :methyl -106:sc= -5.96! (180deg=-6.98!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 59 THR OG1 : rot -149:sc= -0.0475 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.027) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 73 SER OG : rot 180:sc= -0.106 USER MOD Single : A 75 GLN :FLIP amide:sc= -2.99! C(o=-5.9!,f=-3!) USER MOD Single : A 76 GLN :FLIP amide:sc= -1.5! C(o=-4.8!,f=-1.5!) USER MOD Single : A 79 THR OG1 : rot -67:sc= 0.396 USER MOD Single : A 80 GLN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 82 SER OG : rot 44:sc= 0.929 USER MOD Single : A 87 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.3!) USER MOD Single : A 91 ASN : amide:sc= -1.23 K(o=-1.2,f=-7.8!) USER MOD Single : A 106 CYS SG : rot 170:sc= -0.186 USER MOD Single : A 109 SER OG : rot 104:sc= 1.3 USER MOD Single : A 111 ASN : amide:sc= -3.23! C(o=-3.2!,f=-8.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 179:sc= -3.95 (180deg=-3.97) USER MOD Single : A 120 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.48) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 MET CE :methyl 141:sc= -2.14! (180deg=-3.68!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 50:sc= 1.09 USER MOD Single : A 138 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.22) USER MOD Single : A 139 SER OG : rot -56:sc= 0.838 USER MOD Single : A 140 SER OG : rot 180:sc= 0.00838 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot -85:sc= -3.4! USER MOD Single : A 165 ASN : amide:sc= -7.26! C(o=-7.3!,f=-12!) USER MOD Single : A 168 SER OG : rot 95:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -11.607 8.632 13.263 1.00 0.00 N ATOM 87 CA ASP A 8 -10.364 9.269 12.852 1.00 0.00 C ATOM 88 C ASP A 8 -9.799 8.594 11.608 1.00 0.00 C ATOM 89 O ASP A 8 -10.159 7.461 11.289 1.00 0.00 O ATOM 90 CB ASP A 8 -9.336 9.217 13.987 1.00 0.00 C ATOM 91 CG ASP A 8 -9.146 10.563 14.661 1.00 0.00 C ATOM 92 OD1 ASP A 8 -9.556 11.587 14.074 1.00 0.00 O ATOM 93 OD2 ASP A 8 -8.584 10.593 15.776 1.00 0.00 O ATOM 0 HA ASP A 8 -10.578 10.311 12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.655 8.485 14.729 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.380 8.874 13.591 1.00 0.00 H new ATOM 98 N THR A 9 -8.912 9.294 10.911 1.00 0.00 N ATOM 99 CA THR A 9 -8.296 8.759 9.703 1.00 0.00 C ATOM 100 C THR A 9 -7.712 7.371 9.966 1.00 0.00 C ATOM 101 O THR A 9 -7.688 6.522 9.078 1.00 0.00 O ATOM 102 CB THR A 9 -7.203 9.709 9.198 1.00 0.00 C ATOM 103 OG1 THR A 9 -7.701 11.034 9.064 1.00 0.00 O ATOM 104 CG2 THR A 9 -6.626 9.305 7.858 1.00 0.00 C ATOM 0 H THR A 9 -8.603 10.233 11.162 1.00 0.00 H new ATOM 0 HA THR A 9 -9.065 8.669 8.935 1.00 0.00 H new ATOM 0 HB THR A 9 -6.415 9.656 9.949 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.986 11.621 8.742 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.859 10.020 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.185 8.312 7.937 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.418 9.292 7.110 1.00 0.00 H new ATOM 112 N ARG A 10 -7.252 7.149 11.198 1.00 0.00 N ATOM 113 CA ARG A 10 -6.669 5.866 11.588 1.00 0.00 C ATOM 114 C ARG A 10 -7.640 4.715 11.343 1.00 0.00 C ATOM 115 O ARG A 10 -7.274 3.693 10.763 1.00 0.00 O ATOM 116 CB ARG A 10 -6.269 5.891 13.064 1.00 0.00 C ATOM 117 CG ARG A 10 -5.472 7.122 13.459 1.00 0.00 C ATOM 118 CD ARG A 10 -4.823 6.950 14.823 1.00 0.00 C ATOM 119 NE ARG A 10 -5.784 7.121 15.911 1.00 0.00 N ATOM 120 CZ ARG A 10 -5.441 7.407 17.165 1.00 0.00 C ATOM 121 NH1 ARG A 10 -4.164 7.553 17.495 1.00 0.00 N ATOM 122 NH2 ARG A 10 -6.379 7.545 18.091 1.00 0.00 N ATOM 0 H ARG A 10 -7.272 7.844 11.944 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.784 5.707 10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.169 5.840 13.676 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.681 5.001 13.287 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.703 7.315 12.711 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.128 7.992 13.474 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.373 5.959 14.888 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.016 7.674 14.935 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.776 7.015 15.697 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.439 7.446 16.786 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.908 7.772 18.458 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.362 7.432 17.842 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.118 7.764 19.052 1.00 0.00 H new ATOM 136 N ALA A 11 -8.882 4.882 11.793 1.00 0.00 N ATOM 137 CA ALA A 11 -9.902 3.851 11.625 1.00 0.00 C ATOM 138 C ALA A 11 -9.990 3.396 10.173 1.00 0.00 C ATOM 139 O ALA A 11 -9.869 2.208 9.876 1.00 0.00 O ATOM 140 CB ALA A 11 -11.254 4.364 12.100 1.00 0.00 C ATOM 0 H ALA A 11 -9.205 5.720 12.276 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.616 2.992 12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.005 3.585 11.969 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.191 4.634 13.154 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.535 5.241 11.517 1.00 0.00 H new ATOM 146 N LEU A 12 -10.197 4.349 9.272 1.00 0.00 N ATOM 147 CA LEU A 12 -10.297 4.047 7.849 1.00 0.00 C ATOM 148 C LEU A 12 -9.077 3.262 7.368 1.00 0.00 C ATOM 149 O LEU A 12 -9.196 2.373 6.524 1.00 0.00 O ATOM 150 CB LEU A 12 -10.446 5.339 7.042 1.00 0.00 C ATOM 151 CG LEU A 12 -11.509 5.292 5.942 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.903 5.371 6.544 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.296 6.419 4.944 1.00 0.00 C ATOM 0 H LEU A 12 -10.299 5.338 9.501 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.182 3.429 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.688 6.152 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.485 5.580 6.588 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.414 4.343 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.646 5.336 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.056 4.529 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.008 6.304 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.061 6.369 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.362 7.378 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.311 6.320 4.488 1.00 0.00 H new ATOM 165 N VAL A 13 -7.909 3.590 7.913 1.00 0.00 N ATOM 166 CA VAL A 13 -6.674 2.908 7.542 1.00 0.00 C ATOM 167 C VAL A 13 -6.696 1.454 8.007 1.00 0.00 C ATOM 168 O VAL A 13 -6.468 0.540 7.219 1.00 0.00 O ATOM 169 CB VAL A 13 -5.433 3.614 8.135 1.00 0.00 C ATOM 170 CG1 VAL A 13 -4.151 2.903 7.723 1.00 0.00 C ATOM 171 CG2 VAL A 13 -5.393 5.073 7.709 1.00 0.00 C ATOM 0 H VAL A 13 -7.792 4.323 8.612 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.607 2.941 6.455 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.509 3.572 9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.294 3.420 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.173 1.875 8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.067 2.904 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.512 5.553 8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.347 5.133 6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.290 5.580 8.063 1.00 0.00 H new ATOM 181 N ALA A 14 -6.973 1.250 9.292 1.00 0.00 N ATOM 182 CA ALA A 14 -7.023 -0.093 9.860 1.00 0.00 C ATOM 183 C ALA A 14 -8.206 -0.890 9.315 1.00 0.00 C ATOM 184 O ALA A 14 -8.198 -2.122 9.335 1.00 0.00 O ATOM 185 CB ALA A 14 -7.090 -0.022 11.377 1.00 0.00 C ATOM 0 H ALA A 14 -7.166 1.997 9.959 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.110 -0.611 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.127 -1.031 11.787 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.207 0.492 11.757 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.984 0.524 11.677 1.00 0.00 H new ATOM 191 N ASP A 15 -9.223 -0.183 8.831 1.00 0.00 N ATOM 192 CA ASP A 15 -10.411 -0.826 8.283 1.00 0.00 C ATOM 193 C ASP A 15 -10.086 -1.522 6.966 1.00 0.00 C ATOM 194 O ASP A 15 -10.376 -2.705 6.788 1.00 0.00 O ATOM 195 CB ASP A 15 -11.521 0.207 8.069 1.00 0.00 C ATOM 196 CG ASP A 15 -12.713 -0.012 8.981 1.00 0.00 C ATOM 197 OD1 ASP A 15 -12.685 -0.971 9.782 1.00 0.00 O ATOM 198 OD2 ASP A 15 -13.677 0.778 8.895 1.00 0.00 O ATOM 0 H ASP A 15 -9.247 0.836 8.808 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.756 -1.575 8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.119 1.206 8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.852 0.168 7.031 1.00 0.00 H new ATOM 203 N PHE A 16 -9.482 -0.780 6.048 1.00 0.00 N ATOM 204 CA PHE A 16 -9.119 -1.327 4.750 1.00 0.00 C ATOM 205 C PHE A 16 -8.058 -2.408 4.890 1.00 0.00 C ATOM 206 O PHE A 16 -8.022 -3.357 4.112 1.00 0.00 O ATOM 207 CB PHE A 16 -8.610 -0.222 3.830 1.00 0.00 C ATOM 208 CG PHE A 16 -8.590 -0.621 2.388 1.00 0.00 C ATOM 209 CD1 PHE A 16 -7.644 -1.514 1.904 1.00 0.00 C ATOM 210 CD2 PHE A 16 -9.524 -0.104 1.514 1.00 0.00 C ATOM 211 CE1 PHE A 16 -7.638 -1.879 0.570 1.00 0.00 C ATOM 212 CE2 PHE A 16 -9.522 -0.463 0.186 1.00 0.00 C ATOM 213 CZ PHE A 16 -8.579 -1.352 -0.289 1.00 0.00 C ATOM 0 H PHE A 16 -9.234 0.201 6.179 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.013 -1.773 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.240 0.660 3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.603 0.062 4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.906 -1.928 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.266 0.591 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.898 -2.575 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.259 -0.049 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 16 -8.578 -1.634 -1.331 1.00 0.00 H new ATOM 223 N VAL A 17 -7.192 -2.252 5.883 1.00 0.00 N ATOM 224 CA VAL A 17 -6.121 -3.208 6.127 1.00 0.00 C ATOM 225 C VAL A 17 -6.668 -4.548 6.597 1.00 0.00 C ATOM 226 O VAL A 17 -6.430 -5.581 5.971 1.00 0.00 O ATOM 227 CB VAL A 17 -5.134 -2.662 7.173 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.018 -3.659 7.451 1.00 0.00 C ATOM 229 CG2 VAL A 17 -4.573 -1.333 6.701 1.00 0.00 C ATOM 0 H VAL A 17 -7.211 -1.468 6.535 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.599 -3.359 5.182 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.669 -2.506 8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.337 -3.245 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.446 -4.588 7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.471 -3.860 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.874 -0.949 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.054 -1.473 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.388 -0.621 6.567 1.00 0.00 H new ATOM 239 N GLY A 18 -7.400 -4.526 7.702 1.00 0.00 N ATOM 240 CA GLY A 18 -7.967 -5.747 8.237 1.00 0.00 C ATOM 241 C GLY A 18 -8.862 -6.451 7.238 1.00 0.00 C ATOM 242 O GLY A 18 -8.796 -7.671 7.090 1.00 0.00 O ATOM 0 H GLY A 18 -7.611 -3.684 8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.162 -6.418 8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.540 -5.516 9.135 1.00 0.00 H new ATOM 246 N TYR A 19 -9.700 -5.683 6.552 1.00 0.00 N ATOM 247 CA TYR A 19 -10.609 -6.246 5.563 1.00 0.00 C ATOM 248 C TYR A 19 -9.836 -6.835 4.387 1.00 0.00 C ATOM 249 O TYR A 19 -10.178 -7.905 3.888 1.00 0.00 O ATOM 250 CB TYR A 19 -11.592 -5.179 5.072 1.00 0.00 C ATOM 251 CG TYR A 19 -12.986 -5.331 5.641 1.00 0.00 C ATOM 252 CD1 TYR A 19 -13.584 -6.582 5.739 1.00 0.00 C ATOM 253 CD2 TYR A 19 -13.702 -4.225 6.079 1.00 0.00 C ATOM 254 CE1 TYR A 19 -14.857 -6.724 6.258 1.00 0.00 C ATOM 255 CE2 TYR A 19 -14.976 -4.359 6.598 1.00 0.00 C ATOM 256 CZ TYR A 19 -15.549 -5.610 6.685 1.00 0.00 C ATOM 257 OH TYR A 19 -16.817 -5.748 7.203 1.00 0.00 O ATOM 0 H TYR A 19 -9.768 -4.671 6.662 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.172 -7.049 6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.207 -4.194 5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.646 -5.220 3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.046 -7.456 5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -13.256 -3.244 6.013 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.308 -7.703 6.329 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -15.520 -3.488 6.934 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.164 -4.868 7.457 1.00 0.00 H new ATOM 267 N LYS A 20 -8.793 -6.130 3.949 1.00 0.00 N ATOM 268 CA LYS A 20 -7.974 -6.593 2.830 1.00 0.00 C ATOM 269 C LYS A 20 -7.369 -7.959 3.129 1.00 0.00 C ATOM 270 O LYS A 20 -7.293 -8.822 2.254 1.00 0.00 O ATOM 271 CB LYS A 20 -6.856 -5.594 2.524 1.00 0.00 C ATOM 272 CG LYS A 20 -6.968 -4.959 1.148 1.00 0.00 C ATOM 273 CD LYS A 20 -6.680 -5.966 0.045 1.00 0.00 C ATOM 274 CE LYS A 20 -5.639 -5.444 -0.932 1.00 0.00 C ATOM 275 NZ LYS A 20 -5.899 -5.916 -2.320 1.00 0.00 N ATOM 0 H LYS A 20 -8.497 -5.240 4.350 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.623 -6.677 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.865 -4.808 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.895 -6.102 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.969 -4.549 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.270 -4.125 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.330 -6.899 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.602 -6.193 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.637 -4.354 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.648 -5.771 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.168 -5.540 -2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.876 -6.955 -2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.834 -5.583 -2.630 1.00 0.00 H new ATOM 289 N LEU A 21 -6.936 -8.150 4.367 1.00 0.00 N ATOM 290 CA LEU A 21 -6.339 -9.414 4.773 1.00 0.00 C ATOM 291 C LEU A 21 -7.425 -10.444 5.062 1.00 0.00 C ATOM 292 O LEU A 21 -7.258 -11.632 4.791 1.00 0.00 O ATOM 293 CB LEU A 21 -5.444 -9.202 6.002 1.00 0.00 C ATOM 294 CG LEU A 21 -4.730 -10.447 6.549 1.00 0.00 C ATOM 295 CD1 LEU A 21 -5.584 -11.113 7.614 1.00 0.00 C ATOM 296 CD2 LEU A 21 -4.380 -11.433 5.436 1.00 0.00 C ATOM 0 H LEU A 21 -6.987 -7.448 5.106 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.721 -9.793 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.689 -8.458 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.054 -8.780 6.800 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.791 -10.125 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.068 -11.995 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.758 -10.413 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.539 -11.410 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.876 -12.300 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.293 -11.754 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.721 -10.949 4.715 1.00 0.00 H new ATOM 308 N ARG A 22 -8.548 -9.986 5.600 1.00 0.00 N ATOM 309 CA ARG A 22 -9.654 -10.882 5.910 1.00 0.00 C ATOM 310 C ARG A 22 -10.314 -11.408 4.638 1.00 0.00 C ATOM 311 O ARG A 22 -10.870 -12.506 4.630 1.00 0.00 O ATOM 312 CB ARG A 22 -10.686 -10.177 6.788 1.00 0.00 C ATOM 313 CG ARG A 22 -10.476 -10.437 8.269 1.00 0.00 C ATOM 314 CD ARG A 22 -11.385 -11.544 8.777 1.00 0.00 C ATOM 315 NE ARG A 22 -12.230 -11.093 9.877 1.00 0.00 N ATOM 316 CZ ARG A 22 -13.276 -10.285 9.723 1.00 0.00 C ATOM 317 NH1 ARG A 22 -13.617 -9.851 8.516 1.00 0.00 N ATOM 318 NH2 ARG A 22 -13.985 -9.912 10.779 1.00 0.00 N ATOM 0 H ARG A 22 -8.716 -9.007 5.829 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.249 -11.733 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.641 -9.104 6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.685 -10.508 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.436 -10.709 8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.667 -9.522 8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.012 -11.902 7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.779 -12.388 9.107 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.006 -11.416 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.076 -10.137 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.420 -9.232 8.405 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.729 -10.244 11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.787 -9.293 10.662 1.00 0.00 H new ATOM 332 N GLN A 23 -10.250 -10.627 3.564 1.00 0.00 N ATOM 333 CA GLN A 23 -10.845 -11.032 2.292 1.00 0.00 C ATOM 334 C GLN A 23 -9.967 -12.057 1.566 1.00 0.00 C ATOM 335 O GLN A 23 -10.302 -12.504 0.469 1.00 0.00 O ATOM 336 CB GLN A 23 -11.080 -9.810 1.400 1.00 0.00 C ATOM 337 CG GLN A 23 -9.813 -9.032 1.088 1.00 0.00 C ATOM 338 CD GLN A 23 -10.028 -7.929 0.068 1.00 0.00 C ATOM 339 OE1 GLN A 23 -9.179 -7.693 -0.792 1.00 0.00 O ATOM 340 NE2 GLN A 23 -11.162 -7.243 0.158 1.00 0.00 N ATOM 0 H GLN A 23 -9.795 -9.714 3.547 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.804 -11.503 2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -11.536 -10.135 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.793 -9.146 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.425 -8.597 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.054 -9.720 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.839 -7.471 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.355 -6.489 -0.501 1.00 0.00 H new ATOM 349 N LYS A 24 -8.846 -12.429 2.184 1.00 0.00 N ATOM 350 CA LYS A 24 -7.934 -13.403 1.594 1.00 0.00 C ATOM 351 C LYS A 24 -8.203 -14.810 2.134 1.00 0.00 C ATOM 352 O LYS A 24 -7.599 -15.782 1.682 1.00 0.00 O ATOM 353 CB LYS A 24 -6.484 -13.003 1.878 1.00 0.00 C ATOM 354 CG LYS A 24 -5.838 -12.220 0.748 1.00 0.00 C ATOM 355 CD LYS A 24 -4.362 -11.978 1.015 1.00 0.00 C ATOM 356 CE LYS A 24 -3.858 -10.746 0.282 1.00 0.00 C ATOM 357 NZ LYS A 24 -3.974 -10.889 -1.196 1.00 0.00 N ATOM 0 H LYS A 24 -8.550 -12.070 3.092 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.101 -13.414 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.452 -12.404 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.898 -13.902 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.955 -12.766 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.349 -11.265 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.200 -11.857 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.787 -12.849 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.425 -9.874 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.816 -10.567 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.573 -10.048 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.454 -11.735 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.976 -10.983 -1.458 1.00 0.00 H new ATOM 589 N GLN A 43 -14.271 4.683 -0.230 1.00 0.00 N ATOM 590 CA GLN A 43 -14.417 4.306 -1.635 1.00 0.00 C ATOM 591 C GLN A 43 -13.231 4.800 -2.454 1.00 0.00 C ATOM 592 O GLN A 43 -12.838 4.188 -3.448 1.00 0.00 O ATOM 593 CB GLN A 43 -15.718 4.878 -2.201 1.00 0.00 C ATOM 594 CG GLN A 43 -16.771 3.821 -2.478 1.00 0.00 C ATOM 595 CD GLN A 43 -17.692 4.201 -3.621 1.00 0.00 C ATOM 596 OE1 GLN A 43 -17.365 5.063 -4.437 1.00 0.00 O ATOM 597 NE2 GLN A 43 -18.852 3.558 -3.685 1.00 0.00 N ATOM 0 HA GLN A 43 -14.449 3.218 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.122 5.607 -1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -15.499 5.413 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.280 2.876 -2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -17.363 3.659 -1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -19.082 2.851 -2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -19.513 3.772 -4.432 1.00 0.00 H new ATOM 606 N ALA A 44 -12.672 5.915 -2.014 1.00 0.00 N ATOM 607 CA ALA A 44 -11.535 6.531 -2.660 1.00 0.00 C ATOM 608 C ALA A 44 -10.301 5.635 -2.557 1.00 0.00 C ATOM 609 O ALA A 44 -9.707 5.256 -3.566 1.00 0.00 O ATOM 610 CB ALA A 44 -11.295 7.881 -2.005 1.00 0.00 C ATOM 0 H ALA A 44 -13.001 6.419 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.736 6.670 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.440 8.367 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.180 8.506 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.093 7.739 -0.943 1.00 0.00 H new ATOM 616 N MET A 45 -9.933 5.293 -1.327 1.00 0.00 N ATOM 617 CA MET A 45 -8.778 4.435 -1.079 1.00 0.00 C ATOM 618 C MET A 45 -8.914 3.097 -1.805 1.00 0.00 C ATOM 619 O MET A 45 -7.935 2.559 -2.323 1.00 0.00 O ATOM 620 CB MET A 45 -8.619 4.207 0.425 1.00 0.00 C ATOM 621 CG MET A 45 -7.928 5.358 1.135 1.00 0.00 C ATOM 622 SD MET A 45 -7.393 4.932 2.803 1.00 0.00 S ATOM 623 CE MET A 45 -8.382 6.068 3.771 1.00 0.00 C ATOM 0 H MET A 45 -10.419 5.597 -0.483 1.00 0.00 H new ATOM 0 HA MET A 45 -7.890 4.935 -1.466 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.603 4.053 0.869 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.049 3.293 0.589 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.063 5.672 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.607 6.209 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.749 6.872 4.147 1.00 0.00 H new ATOM 0 HE2 MET A 45 -9.170 6.489 3.146 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.830 5.536 4.610 1.00 0.00 H new ATOM 633 N ARG A 46 -10.132 2.566 -1.839 1.00 0.00 N ATOM 634 CA ARG A 46 -10.400 1.290 -2.500 1.00 0.00 C ATOM 635 C ARG A 46 -10.127 1.378 -3.997 1.00 0.00 C ATOM 636 O ARG A 46 -9.222 0.720 -4.512 1.00 0.00 O ATOM 637 CB ARG A 46 -11.851 0.866 -2.255 1.00 0.00 C ATOM 638 CG ARG A 46 -12.006 -0.606 -1.905 1.00 0.00 C ATOM 639 CD ARG A 46 -13.180 -1.243 -2.632 1.00 0.00 C ATOM 640 NE ARG A 46 -14.429 -1.096 -1.884 1.00 0.00 N ATOM 641 CZ ARG A 46 -15.316 -2.075 -1.698 1.00 0.00 C ATOM 642 NH1 ARG A 46 -15.105 -3.288 -2.196 1.00 0.00 N ATOM 643 NH2 ARG A 46 -16.422 -1.837 -1.006 1.00 0.00 N ATOM 0 H ARG A 46 -10.952 3.000 -1.416 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.730 0.542 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.265 1.468 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.439 1.082 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.090 -1.138 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.146 -0.710 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.290 -0.786 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.976 -2.301 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.635 -0.184 -1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.256 -3.480 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.792 -4.027 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.591 -0.909 -0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.103 -2.582 -0.861 1.00 0.00 H new ATOM 657 N ALA A 47 -10.922 2.187 -4.687 1.00 0.00 N ATOM 658 CA ALA A 47 -10.779 2.367 -6.129 1.00 0.00 C ATOM 659 C ALA A 47 -9.313 2.499 -6.530 1.00 0.00 C ATOM 660 O ALA A 47 -8.868 1.892 -7.504 1.00 0.00 O ATOM 661 CB ALA A 47 -11.552 3.590 -6.576 1.00 0.00 C ATOM 0 H ALA A 47 -11.677 2.732 -4.270 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.183 1.483 -6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.440 3.718 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.607 3.463 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.166 4.472 -6.064 1.00 0.00 H new ATOM 667 N ALA A 48 -8.566 3.293 -5.767 1.00 0.00 N ATOM 668 CA ALA A 48 -7.148 3.499 -6.039 1.00 0.00 C ATOM 669 C ALA A 48 -6.407 2.174 -6.068 1.00 0.00 C ATOM 670 O ALA A 48 -5.668 1.879 -7.007 1.00 0.00 O ATOM 671 CB ALA A 48 -6.529 4.406 -4.989 1.00 0.00 C ATOM 0 H ALA A 48 -8.919 3.803 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.061 3.974 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.471 4.548 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.034 5.372 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.637 3.950 -4.005 1.00 0.00 H new ATOM 677 N GLY A 49 -6.609 1.385 -5.020 1.00 0.00 N ATOM 678 CA GLY A 49 -5.954 0.100 -4.919 1.00 0.00 C ATOM 679 C GLY A 49 -6.128 -0.748 -6.161 1.00 0.00 C ATOM 680 O GLY A 49 -5.153 -1.224 -6.740 1.00 0.00 O ATOM 0 H GLY A 49 -7.219 1.616 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.891 0.253 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.352 -0.438 -4.059 1.00 0.00 H new ATOM 684 N ASP A 50 -7.374 -0.936 -6.573 1.00 0.00 N ATOM 685 CA ASP A 50 -7.673 -1.731 -7.754 1.00 0.00 C ATOM 686 C ASP A 50 -7.041 -1.114 -8.995 1.00 0.00 C ATOM 687 O ASP A 50 -6.697 -1.817 -9.944 1.00 0.00 O ATOM 688 CB ASP A 50 -9.187 -1.844 -7.937 1.00 0.00 C ATOM 689 CG ASP A 50 -9.692 -3.252 -7.696 1.00 0.00 C ATOM 690 OD1 ASP A 50 -9.285 -3.863 -6.687 1.00 0.00 O ATOM 691 OD2 ASP A 50 -10.493 -3.744 -8.518 1.00 0.00 O ATOM 0 H ASP A 50 -8.194 -0.548 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.253 -2.727 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.686 -1.159 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.453 -1.533 -8.947 1.00 0.00 H new ATOM 696 N GLU A 51 -6.900 0.206 -8.981 1.00 0.00 N ATOM 697 CA GLU A 51 -6.323 0.935 -10.104 1.00 0.00 C ATOM 698 C GLU A 51 -4.888 0.482 -10.396 1.00 0.00 C ATOM 699 O GLU A 51 -4.589 0.033 -11.500 1.00 0.00 O ATOM 700 CB GLU A 51 -6.371 2.439 -9.819 1.00 0.00 C ATOM 701 CG GLU A 51 -7.170 3.236 -10.841 1.00 0.00 C ATOM 702 CD GLU A 51 -8.537 2.646 -11.121 1.00 0.00 C ATOM 703 OE1 GLU A 51 -9.494 2.996 -10.400 1.00 0.00 O ATOM 704 OE2 GLU A 51 -8.653 1.843 -12.071 1.00 0.00 O ATOM 0 H GLU A 51 -7.180 0.797 -8.198 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.914 0.718 -10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.803 2.598 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.352 2.825 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.289 4.258 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.606 3.289 -11.772 1.00 0.00 H new ATOM 711 N PHE A 52 -4.008 0.597 -9.406 1.00 0.00 N ATOM 712 CA PHE A 52 -2.613 0.189 -9.577 1.00 0.00 C ATOM 713 C PHE A 52 -2.521 -1.295 -9.906 1.00 0.00 C ATOM 714 O PHE A 52 -1.665 -1.722 -10.680 1.00 0.00 O ATOM 715 CB PHE A 52 -1.815 0.497 -8.307 1.00 0.00 C ATOM 716 CG PHE A 52 -2.051 -0.469 -7.182 1.00 0.00 C ATOM 717 CD1 PHE A 52 -1.576 -1.771 -7.247 1.00 0.00 C ATOM 718 CD2 PHE A 52 -2.750 -0.073 -6.057 1.00 0.00 C ATOM 719 CE1 PHE A 52 -1.800 -2.656 -6.213 1.00 0.00 C ATOM 720 CE2 PHE A 52 -2.972 -0.955 -5.017 1.00 0.00 C ATOM 721 CZ PHE A 52 -2.498 -2.247 -5.096 1.00 0.00 C ATOM 0 H PHE A 52 -4.232 0.967 -8.482 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.190 0.752 -10.409 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.753 0.501 -8.551 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.068 1.501 -7.967 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.025 -2.095 -8.117 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.127 0.937 -5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.429 -3.668 -6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.517 -0.632 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.673 -2.938 -4.285 1.00 0.00 H new ATOM 731 N GLU A 53 -3.399 -2.075 -9.292 1.00 0.00 N ATOM 732 CA GLU A 53 -3.418 -3.514 -9.492 1.00 0.00 C ATOM 733 C GLU A 53 -3.733 -3.866 -10.937 1.00 0.00 C ATOM 734 O GLU A 53 -3.171 -4.809 -11.493 1.00 0.00 O ATOM 735 CB GLU A 53 -4.452 -4.157 -8.570 1.00 0.00 C ATOM 736 CG GLU A 53 -4.340 -5.668 -8.502 1.00 0.00 C ATOM 737 CD GLU A 53 -3.575 -6.137 -7.281 1.00 0.00 C ATOM 738 OE1 GLU A 53 -3.662 -5.463 -6.232 1.00 0.00 O ATOM 739 OE2 GLU A 53 -2.888 -7.174 -7.372 1.00 0.00 O ATOM 0 H GLU A 53 -4.111 -1.731 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.426 -3.899 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.339 -3.746 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.451 -3.889 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.339 -6.103 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.843 -6.033 -9.401 1.00 0.00 H new ATOM 746 N THR A 54 -4.637 -3.113 -11.540 1.00 0.00 N ATOM 747 CA THR A 54 -5.025 -3.360 -12.919 1.00 0.00 C ATOM 748 C THR A 54 -4.102 -2.631 -13.886 1.00 0.00 C ATOM 749 O THR A 54 -3.935 -3.037 -15.035 1.00 0.00 O ATOM 750 CB THR A 54 -6.471 -2.933 -13.139 1.00 0.00 C ATOM 751 OG1 THR A 54 -6.895 -3.292 -14.443 1.00 0.00 O ATOM 752 CG2 THR A 54 -6.689 -1.443 -12.944 1.00 0.00 C ATOM 0 H THR A 54 -5.115 -2.328 -11.098 1.00 0.00 H new ATOM 0 HA THR A 54 -4.938 -4.429 -13.114 1.00 0.00 H new ATOM 0 HB THR A 54 -7.061 -3.455 -12.385 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.826 -3.014 -14.572 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.739 -1.203 -13.115 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.414 -1.165 -11.926 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.071 -0.889 -13.651 1.00 0.00 H new ATOM 760 N ARG A 55 -3.498 -1.555 -13.401 1.00 0.00 N ATOM 761 CA ARG A 55 -2.578 -0.755 -14.191 1.00 0.00 C ATOM 762 C ARG A 55 -1.489 -1.631 -14.821 1.00 0.00 C ATOM 763 O ARG A 55 -1.335 -1.668 -16.042 1.00 0.00 O ATOM 764 CB ARG A 55 -1.954 0.297 -13.278 1.00 0.00 C ATOM 765 CG ARG A 55 -2.414 1.724 -13.550 1.00 0.00 C ATOM 766 CD ARG A 55 -2.545 2.496 -12.248 1.00 0.00 C ATOM 767 NE ARG A 55 -3.492 3.608 -12.325 1.00 0.00 N ATOM 768 CZ ARG A 55 -4.713 3.537 -12.847 1.00 0.00 C ATOM 769 NH1 ARG A 55 -5.251 2.366 -13.164 1.00 0.00 N ATOM 770 NH2 ARG A 55 -5.437 4.644 -12.973 1.00 0.00 N ATOM 0 H ARG A 55 -3.633 -1.214 -12.449 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.119 -0.273 -15.005 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.186 0.045 -12.243 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.870 0.252 -13.382 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.701 2.224 -14.206 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.372 1.711 -14.070 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.861 1.813 -11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.566 2.881 -11.962 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.193 4.508 -11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.727 1.505 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.189 2.327 -13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.055 5.540 -12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.374 4.598 -13.372 1.00 0.00 H new ATOM 784 N PHE A 56 -0.742 -2.333 -13.972 1.00 0.00 N ATOM 785 CA PHE A 56 0.323 -3.212 -14.426 1.00 0.00 C ATOM 786 C PHE A 56 -0.199 -4.632 -14.639 1.00 0.00 C ATOM 787 O PHE A 56 -1.337 -4.827 -15.066 1.00 0.00 O ATOM 788 CB PHE A 56 1.483 -3.208 -13.425 1.00 0.00 C ATOM 789 CG PHE A 56 1.904 -1.840 -12.956 1.00 0.00 C ATOM 790 CD1 PHE A 56 1.050 -1.020 -12.224 1.00 0.00 C ATOM 791 CD2 PHE A 56 3.170 -1.380 -13.246 1.00 0.00 C ATOM 792 CE1 PHE A 56 1.464 0.230 -11.796 1.00 0.00 C ATOM 793 CE2 PHE A 56 3.586 -0.139 -12.825 1.00 0.00 C ATOM 794 CZ PHE A 56 2.735 0.672 -12.099 1.00 0.00 C ATOM 0 H PHE A 56 -0.859 -2.307 -12.959 1.00 0.00 H new ATOM 0 HA PHE A 56 0.690 -2.839 -15.382 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.198 -3.803 -12.557 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.341 -3.701 -13.882 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.053 -1.363 -11.987 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.846 -2.004 -13.813 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.794 0.857 -11.227 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.582 0.203 -13.063 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.063 1.647 -11.770 1.00 0.00 H new ATOM 804 N ARG A 57 0.630 -5.624 -14.315 1.00 0.00 N ATOM 805 CA ARG A 57 0.250 -7.023 -14.446 1.00 0.00 C ATOM 806 C ARG A 57 0.787 -7.826 -13.263 1.00 0.00 C ATOM 807 O ARG A 57 0.068 -8.083 -12.298 1.00 0.00 O ATOM 808 CB ARG A 57 0.766 -7.606 -15.766 1.00 0.00 C ATOM 809 CG ARG A 57 0.582 -6.679 -16.955 1.00 0.00 C ATOM 810 CD ARG A 57 0.048 -7.424 -18.167 1.00 0.00 C ATOM 811 NE ARG A 57 0.118 -6.608 -19.375 1.00 0.00 N ATOM 812 CZ ARG A 57 -0.837 -6.560 -20.302 1.00 0.00 C ATOM 813 NH1 ARG A 57 -1.944 -7.284 -20.174 1.00 0.00 N ATOM 814 NH2 ARG A 57 -0.679 -5.783 -21.363 1.00 0.00 N ATOM 0 H ARG A 57 1.574 -5.479 -13.958 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.838 -7.086 -14.450 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.825 -7.841 -15.660 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.249 -8.545 -15.965 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.106 -5.876 -16.688 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.535 -6.213 -17.205 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.621 -8.340 -18.313 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.986 -7.719 -17.987 1.00 0.00 H new ATOM 0 HE ARG A 57 0.952 -6.038 -19.518 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.069 -7.885 -19.359 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.669 -7.239 -20.891 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.170 -5.227 -21.466 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.406 -5.741 -22.077 1.00 0.00 H new ATOM 828 N ARG A 58 2.059 -8.211 -13.337 1.00 0.00 N ATOM 829 CA ARG A 58 2.688 -8.971 -12.267 1.00 0.00 C ATOM 830 C ARG A 58 4.026 -8.357 -11.881 1.00 0.00 C ATOM 831 O ARG A 58 5.058 -9.029 -11.881 1.00 0.00 O ATOM 832 CB ARG A 58 2.873 -10.426 -12.683 1.00 0.00 C ATOM 833 CG ARG A 58 3.537 -10.595 -14.040 1.00 0.00 C ATOM 834 CD ARG A 58 2.510 -10.807 -15.147 1.00 0.00 C ATOM 835 NE ARG A 58 2.546 -12.164 -15.700 1.00 0.00 N ATOM 836 CZ ARG A 58 2.175 -13.261 -15.034 1.00 0.00 C ATOM 837 NH1 ARG A 58 1.706 -13.173 -13.797 1.00 0.00 N ATOM 838 NH2 ARG A 58 2.248 -14.451 -15.616 1.00 0.00 N ATOM 0 H ARG A 58 2.671 -8.008 -14.127 1.00 0.00 H new ATOM 0 HA ARG A 58 2.032 -8.938 -11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.472 -10.937 -11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.899 -10.916 -12.701 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.137 -9.713 -14.264 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.219 -11.445 -14.008 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.513 -10.605 -14.755 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.690 -10.088 -15.947 1.00 0.00 H new ATOM 0 HE ARG A 58 2.877 -12.278 -16.658 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.626 -12.262 -13.346 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.425 -14.016 -13.297 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.588 -14.530 -16.574 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.964 -15.287 -15.105 1.00 0.00 H new ATOM 852 N THR A 59 4.001 -7.074 -11.557 1.00 0.00 N ATOM 853 CA THR A 59 5.207 -6.364 -11.172 1.00 0.00 C ATOM 854 C THR A 59 5.587 -6.674 -9.731 1.00 0.00 C ATOM 855 O THR A 59 6.763 -6.631 -9.371 1.00 0.00 O ATOM 856 CB THR A 59 5.022 -4.863 -11.361 1.00 0.00 C ATOM 857 OG1 THR A 59 4.019 -4.603 -12.330 1.00 0.00 O ATOM 858 CG2 THR A 59 6.287 -4.166 -11.806 1.00 0.00 C ATOM 0 H THR A 59 3.156 -6.503 -11.553 1.00 0.00 H new ATOM 0 HA THR A 59 6.019 -6.701 -11.816 1.00 0.00 H new ATOM 0 HB THR A 59 4.734 -4.474 -10.384 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.224 -3.766 -12.797 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.093 -3.100 -11.924 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.066 -4.313 -11.058 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.616 -4.582 -12.758 1.00 0.00 H new ATOM 866 N PHE A 60 4.586 -6.982 -8.903 1.00 0.00 N ATOM 867 CA PHE A 60 4.826 -7.297 -7.496 1.00 0.00 C ATOM 868 C PHE A 60 6.048 -8.196 -7.323 1.00 0.00 C ATOM 869 O PHE A 60 7.077 -7.746 -6.832 1.00 0.00 O ATOM 870 CB PHE A 60 3.597 -7.980 -6.889 1.00 0.00 C ATOM 871 CG PHE A 60 3.748 -8.310 -5.429 1.00 0.00 C ATOM 872 CD1 PHE A 60 3.535 -7.341 -4.464 1.00 0.00 C ATOM 873 CD2 PHE A 60 4.098 -9.590 -5.023 1.00 0.00 C ATOM 874 CE1 PHE A 60 3.669 -7.638 -3.120 1.00 0.00 C ATOM 875 CE2 PHE A 60 4.232 -9.894 -3.680 1.00 0.00 C ATOM 876 CZ PHE A 60 4.018 -8.917 -2.728 1.00 0.00 C ATOM 0 H PHE A 60 3.606 -7.020 -9.183 1.00 0.00 H new ATOM 0 HA PHE A 60 5.017 -6.358 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.731 -7.331 -7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.393 -8.898 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.261 -6.341 -4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.268 -10.357 -5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.501 -6.872 -2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.504 -10.894 -3.377 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.123 -9.152 -1.679 1.00 0.00 H new ATOM 886 N SER A 61 5.925 -9.461 -7.736 1.00 0.00 N ATOM 887 CA SER A 61 7.026 -10.423 -7.622 1.00 0.00 C ATOM 888 C SER A 61 8.247 -9.973 -8.427 1.00 0.00 C ATOM 889 O SER A 61 9.332 -9.795 -7.871 1.00 0.00 O ATOM 890 CB SER A 61 6.581 -11.814 -8.095 1.00 0.00 C ATOM 891 OG SER A 61 5.540 -11.727 -9.054 1.00 0.00 O ATOM 0 H SER A 61 5.075 -9.843 -8.152 1.00 0.00 H new ATOM 0 HA SER A 61 7.306 -10.474 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.431 -12.342 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.242 -12.399 -7.240 1.00 0.00 H new ATOM 0 HG SER A 61 5.280 -12.628 -9.337 1.00 0.00 H new ATOM 897 N ASP A 62 8.064 -9.820 -9.742 1.00 0.00 N ATOM 898 CA ASP A 62 9.156 -9.417 -10.635 1.00 0.00 C ATOM 899 C ASP A 62 10.001 -8.319 -9.988 1.00 0.00 C ATOM 900 O ASP A 62 11.195 -8.508 -9.745 1.00 0.00 O ATOM 901 CB ASP A 62 8.613 -8.966 -12.000 1.00 0.00 C ATOM 902 CG ASP A 62 8.774 -10.036 -13.064 1.00 0.00 C ATOM 903 OD1 ASP A 62 9.850 -10.087 -13.698 1.00 0.00 O ATOM 904 OD2 ASP A 62 7.823 -10.821 -13.265 1.00 0.00 O ATOM 0 H ASP A 62 7.171 -9.969 -10.212 1.00 0.00 H new ATOM 0 HA ASP A 62 9.796 -10.283 -10.804 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.558 -8.709 -11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.133 -8.062 -12.315 1.00 0.00 H new ATOM 909 N LEU A 63 9.382 -7.179 -9.701 1.00 0.00 N ATOM 910 CA LEU A 63 10.081 -6.071 -9.072 1.00 0.00 C ATOM 911 C LEU A 63 10.486 -6.433 -7.644 1.00 0.00 C ATOM 912 O LEU A 63 11.484 -5.935 -7.127 1.00 0.00 O ATOM 913 CB LEU A 63 9.191 -4.830 -9.067 1.00 0.00 C ATOM 914 CG LEU A 63 9.918 -3.505 -8.854 1.00 0.00 C ATOM 915 CD1 LEU A 63 10.579 -3.051 -10.147 1.00 0.00 C ATOM 916 CD2 LEU A 63 8.948 -2.450 -8.343 1.00 0.00 C ATOM 0 H LEU A 63 8.397 -7.001 -9.895 1.00 0.00 H new ATOM 0 HA LEU A 63 10.985 -5.860 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.656 -4.783 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.442 -4.944 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 63 10.697 -3.647 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.094 -2.105 -9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.298 -3.803 -10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.819 -2.920 -10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.478 -1.509 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.150 -2.306 -9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.520 -2.778 -7.396 1.00 0.00 H new ATOM 928 N ALA A 64 9.701 -7.308 -7.012 1.00 0.00 N ATOM 929 CA ALA A 64 9.983 -7.733 -5.645 1.00 0.00 C ATOM 930 C ALA A 64 11.414 -8.224 -5.527 1.00 0.00 C ATOM 931 O ALA A 64 12.224 -7.619 -4.834 1.00 0.00 O ATOM 932 CB ALA A 64 9.021 -8.827 -5.191 1.00 0.00 C ATOM 0 H ALA A 64 8.870 -7.732 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 64 9.845 -6.868 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.260 -9.120 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.998 -8.452 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.117 -9.692 -5.848 1.00 0.00 H new ATOM 938 N ALA A 65 11.709 -9.323 -6.213 1.00 0.00 N ATOM 939 CA ALA A 65 13.046 -9.912 -6.191 1.00 0.00 C ATOM 940 C ALA A 65 14.097 -8.957 -6.753 1.00 0.00 C ATOM 941 O ALA A 65 15.229 -8.918 -6.270 1.00 0.00 O ATOM 942 CB ALA A 65 13.059 -11.224 -6.960 1.00 0.00 C ATOM 0 H ALA A 65 11.038 -9.827 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 65 13.302 -10.106 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.062 -11.651 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.356 -11.921 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.768 -11.042 -7.995 1.00 0.00 H new ATOM 948 N GLN A 66 13.720 -8.190 -7.779 1.00 0.00 N ATOM 949 CA GLN A 66 14.639 -7.236 -8.404 1.00 0.00 C ATOM 950 C GLN A 66 15.298 -6.361 -7.341 1.00 0.00 C ATOM 951 O GLN A 66 16.508 -6.432 -7.126 1.00 0.00 O ATOM 952 CB GLN A 66 13.883 -6.386 -9.451 1.00 0.00 C ATOM 953 CG GLN A 66 14.375 -4.946 -9.618 1.00 0.00 C ATOM 954 CD GLN A 66 14.942 -4.677 -10.999 1.00 0.00 C ATOM 955 OE1 GLN A 66 14.452 -3.812 -11.726 1.00 0.00 O ATOM 956 NE2 GLN A 66 15.981 -5.416 -11.369 1.00 0.00 N ATOM 0 H GLN A 66 12.788 -8.211 -8.193 1.00 0.00 H new ATOM 0 HA GLN A 66 15.430 -7.781 -8.919 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.950 -6.888 -10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.828 -6.361 -9.178 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.549 -4.260 -9.429 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.139 -4.739 -8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.356 -6.122 -10.736 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.404 -5.278 -12.287 1.00 0.00 H new ATOM 965 N LEU A 67 14.491 -5.547 -6.677 1.00 0.00 N ATOM 966 CA LEU A 67 14.987 -4.666 -5.633 1.00 0.00 C ATOM 967 C LEU A 67 15.233 -5.440 -4.335 1.00 0.00 C ATOM 968 O LEU A 67 15.970 -4.980 -3.463 1.00 0.00 O ATOM 969 CB LEU A 67 13.997 -3.521 -5.396 1.00 0.00 C ATOM 970 CG LEU A 67 13.903 -2.498 -6.535 1.00 0.00 C ATOM 971 CD1 LEU A 67 12.485 -1.963 -6.658 1.00 0.00 C ATOM 972 CD2 LEU A 67 14.882 -1.353 -6.313 1.00 0.00 C ATOM 0 H LEU A 67 13.487 -5.479 -6.844 1.00 0.00 H new ATOM 0 HA LEU A 67 15.939 -4.247 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.007 -3.946 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.280 -2.999 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 67 14.166 -3.001 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.439 -1.239 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.802 -2.787 -6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.196 -1.479 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 67 14.799 -0.639 -7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 67 14.651 -0.854 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 67 15.898 -1.745 -6.276 1.00 0.00 H new ATOM 984 N HIS A 68 14.620 -6.621 -4.209 1.00 0.00 N ATOM 985 CA HIS A 68 14.791 -7.446 -3.010 1.00 0.00 C ATOM 986 C HIS A 68 16.268 -7.620 -2.672 1.00 0.00 C ATOM 987 O HIS A 68 16.719 -7.191 -1.611 1.00 0.00 O ATOM 988 CB HIS A 68 14.154 -8.822 -3.189 1.00 0.00 C ATOM 989 CG HIS A 68 13.743 -9.455 -1.897 1.00 0.00 C ATOM 990 ND1 HIS A 68 13.849 -10.807 -1.651 1.00 0.00 N ATOM 991 CD2 HIS A 68 13.231 -8.909 -0.769 1.00 0.00 C ATOM 992 CE1 HIS A 68 13.420 -11.066 -0.428 1.00 0.00 C ATOM 993 NE2 HIS A 68 13.040 -9.931 0.127 1.00 0.00 N ATOM 0 H HIS A 68 14.006 -7.024 -4.916 1.00 0.00 H new ATOM 0 HA HIS A 68 14.293 -6.927 -2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 68 13.281 -8.729 -3.835 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.859 -9.478 -3.699 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.013 -7.864 -0.605 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.386 -12.040 0.037 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.665 -9.829 1.070 1.00 0.00 H new ATOM 1001 N VAL A 69 17.012 -8.264 -3.588 1.00 0.00 N ATOM 1002 CA VAL A 69 18.454 -8.509 -3.399 1.00 0.00 C ATOM 1003 C VAL A 69 19.094 -7.405 -2.545 1.00 0.00 C ATOM 1004 O VAL A 69 19.577 -7.671 -1.444 1.00 0.00 O ATOM 1005 CB VAL A 69 19.192 -8.644 -4.771 1.00 0.00 C ATOM 1006 CG1 VAL A 69 20.690 -8.348 -4.672 1.00 0.00 C ATOM 1007 CG2 VAL A 69 18.990 -10.037 -5.347 1.00 0.00 C ATOM 0 H VAL A 69 16.639 -8.624 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 69 18.559 -9.455 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 69 18.753 -7.897 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 69 21.148 -8.458 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.837 -7.329 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 69 21.154 -9.047 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 69 19.510 -10.115 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 69 19.389 -10.778 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 69 17.926 -10.218 -5.498 1.00 0.00 H new ATOM 1017 N THR A 70 19.089 -6.169 -3.051 1.00 0.00 N ATOM 1018 CA THR A 70 19.660 -5.040 -2.331 1.00 0.00 C ATOM 1019 C THR A 70 19.052 -4.918 -0.935 1.00 0.00 C ATOM 1020 O THR A 70 17.898 -4.513 -0.786 1.00 0.00 O ATOM 1021 CB THR A 70 19.427 -3.749 -3.118 1.00 0.00 C ATOM 1022 OG1 THR A 70 18.872 -4.033 -4.389 1.00 0.00 O ATOM 1023 CG2 THR A 70 20.692 -2.954 -3.341 1.00 0.00 C ATOM 0 H THR A 70 18.693 -5.930 -3.960 1.00 0.00 H new ATOM 0 HA THR A 70 20.731 -5.208 -2.223 1.00 0.00 H new ATOM 0 HB THR A 70 18.743 -3.156 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.728 -3.196 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.459 -2.051 -3.905 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.124 -2.680 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.407 -3.557 -3.901 1.00 0.00 H new ATOM 1031 N PRO A 71 19.820 -5.267 0.111 1.00 0.00 N ATOM 1032 CA PRO A 71 19.347 -5.192 1.495 1.00 0.00 C ATOM 1033 C PRO A 71 18.725 -3.842 1.827 1.00 0.00 C ATOM 1034 O PRO A 71 19.417 -2.909 2.234 1.00 0.00 O ATOM 1035 CB PRO A 71 20.616 -5.412 2.317 1.00 0.00 C ATOM 1036 CG PRO A 71 21.500 -6.219 1.432 1.00 0.00 C ATOM 1037 CD PRO A 71 21.210 -5.761 0.029 1.00 0.00 C ATOM 0 HA PRO A 71 18.561 -5.921 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.083 -4.465 2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.400 -5.937 3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.549 -6.065 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.298 -7.284 1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.897 -4.977 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.305 -6.577 -0.688 1.00 0.00 H new ATOM 1045 N GLY A 72 17.413 -3.747 1.655 1.00 0.00 N ATOM 1046 CA GLY A 72 16.716 -2.510 1.947 1.00 0.00 C ATOM 1047 C GLY A 72 16.141 -2.497 3.351 1.00 0.00 C ATOM 1048 O GLY A 72 16.085 -3.531 4.015 1.00 0.00 O ATOM 0 H GLY A 72 16.819 -4.505 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 72 17.402 -1.671 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.912 -2.368 1.225 1.00 0.00 H new ATOM 1052 N SER A 73 15.706 -1.327 3.803 1.00 0.00 N ATOM 1053 CA SER A 73 15.122 -1.191 5.131 1.00 0.00 C ATOM 1054 C SER A 73 13.681 -1.708 5.115 1.00 0.00 C ATOM 1055 O SER A 73 13.102 -1.911 4.048 1.00 0.00 O ATOM 1056 CB SER A 73 15.197 0.268 5.605 1.00 0.00 C ATOM 1057 OG SER A 73 14.491 0.457 6.817 1.00 0.00 O ATOM 0 H SER A 73 15.747 -0.459 3.269 1.00 0.00 H new ATOM 0 HA SER A 73 15.691 -1.792 5.841 1.00 0.00 H new ATOM 0 HB2 SER A 73 16.240 0.554 5.742 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.785 0.923 4.837 1.00 0.00 H new ATOM 0 HG SER A 73 14.559 1.395 7.093 1.00 0.00 H new ATOM 1063 N ALA A 74 13.115 -1.962 6.290 1.00 0.00 N ATOM 1064 CA ALA A 74 11.760 -2.501 6.382 1.00 0.00 C ATOM 1065 C ALA A 74 10.698 -1.499 5.895 1.00 0.00 C ATOM 1066 O ALA A 74 10.987 -0.647 5.057 1.00 0.00 O ATOM 1067 CB ALA A 74 11.498 -2.975 7.809 1.00 0.00 C ATOM 0 H ALA A 74 13.570 -1.805 7.189 1.00 0.00 H new ATOM 0 HA ALA A 74 11.681 -3.357 5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.487 -3.377 7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.217 -3.751 8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.603 -2.135 8.496 1.00 0.00 H new ATOM 1073 N GLN A 75 9.466 -1.625 6.405 1.00 0.00 N ATOM 1074 CA GLN A 75 8.356 -0.746 6.005 1.00 0.00 C ATOM 1075 C GLN A 75 8.834 0.697 5.821 1.00 0.00 C ATOM 1076 O GLN A 75 8.682 1.289 4.747 1.00 0.00 O ATOM 1077 CB GLN A 75 7.248 -0.780 7.063 1.00 0.00 C ATOM 1078 CG GLN A 75 6.654 -2.160 7.308 1.00 0.00 C ATOM 1079 CD GLN A 75 7.452 -2.987 8.297 1.00 0.00 C ATOM 1080 OE1 GLN A 75 7.523 -2.528 9.536 1.00 0.00 O flip ATOM 1081 NE2 GLN A 75 8.001 -4.032 7.947 1.00 0.00 N flip ATOM 0 H GLN A 75 9.211 -2.329 7.098 1.00 0.00 H new ATOM 0 HA GLN A 75 7.968 -1.111 5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.648 -0.398 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.450 -0.103 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.634 -2.049 7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.594 -2.696 6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.922 -4.351 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.535 -4.579 8.623 1.00 0.00 H new ATOM 1090 N GLN A 76 9.418 1.242 6.883 1.00 0.00 N ATOM 1091 CA GLN A 76 9.948 2.607 6.881 1.00 0.00 C ATOM 1092 C GLN A 76 10.677 2.930 5.574 1.00 0.00 C ATOM 1093 O GLN A 76 10.719 4.084 5.144 1.00 0.00 O ATOM 1094 CB GLN A 76 10.935 2.804 8.037 1.00 0.00 C ATOM 1095 CG GLN A 76 10.582 2.078 9.332 1.00 0.00 C ATOM 1096 CD GLN A 76 11.517 0.913 9.625 1.00 0.00 C ATOM 1097 OE1 GLN A 76 11.668 0.007 8.665 1.00 0.00 O flip ATOM 1098 NE2 GLN A 76 12.106 0.831 10.704 1.00 0.00 N flip ATOM 0 H GLN A 76 9.539 0.753 7.770 1.00 0.00 H new ATOM 0 HA GLN A 76 9.094 3.275 6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.921 2.471 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.012 3.871 8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.617 2.785 10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.558 1.710 9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.965 1.546 11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.735 0.048 10.884 1.00 0.00 H new ATOM 1107 N ARG A 77 11.262 1.904 4.957 1.00 0.00 N ATOM 1108 CA ARG A 77 12.000 2.073 3.708 1.00 0.00 C ATOM 1109 C ARG A 77 11.058 2.385 2.573 1.00 0.00 C ATOM 1110 O ARG A 77 11.281 3.310 1.799 1.00 0.00 O ATOM 1111 CB ARG A 77 12.765 0.797 3.343 1.00 0.00 C ATOM 1112 CG ARG A 77 13.553 0.897 2.033 1.00 0.00 C ATOM 1113 CD ARG A 77 15.005 1.323 2.237 1.00 0.00 C ATOM 1114 NE ARG A 77 15.288 2.637 1.667 1.00 0.00 N ATOM 1115 CZ ARG A 77 15.037 2.971 0.402 1.00 0.00 C ATOM 1116 NH1 ARG A 77 14.526 2.080 -0.442 1.00 0.00 N ATOM 1117 NH2 ARG A 77 15.320 4.195 -0.026 1.00 0.00 N ATOM 0 H ARG A 77 11.238 0.945 5.304 1.00 0.00 H new ATOM 0 HA ARG A 77 12.699 2.895 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.454 0.555 4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 77 12.058 -0.029 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.532 -0.069 1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.060 1.612 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.230 1.337 3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.664 0.584 1.782 1.00 0.00 H new ATOM 0 HE ARG A 77 15.704 3.343 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.323 1.133 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.337 2.344 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 77 15.729 4.877 0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.129 4.454 -0.994 1.00 0.00 H new ATOM 1131 N PHE A 78 9.998 1.602 2.491 1.00 0.00 N ATOM 1132 CA PHE A 78 9.004 1.765 1.455 1.00 0.00 C ATOM 1133 C PHE A 78 8.455 3.189 1.440 1.00 0.00 C ATOM 1134 O PHE A 78 8.413 3.835 0.392 1.00 0.00 O ATOM 1135 CB PHE A 78 7.884 0.754 1.678 1.00 0.00 C ATOM 1136 CG PHE A 78 7.597 -0.110 0.486 1.00 0.00 C ATOM 1137 CD1 PHE A 78 6.834 0.381 -0.552 1.00 0.00 C ATOM 1138 CD2 PHE A 78 8.070 -1.412 0.411 1.00 0.00 C ATOM 1139 CE1 PHE A 78 6.539 -0.403 -1.650 1.00 0.00 C ATOM 1140 CE2 PHE A 78 7.784 -2.203 -0.688 1.00 0.00 C ATOM 1141 CZ PHE A 78 7.014 -1.697 -1.719 1.00 0.00 C ATOM 0 H PHE A 78 9.805 0.839 3.140 1.00 0.00 H new ATOM 0 HA PHE A 78 9.466 1.586 0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.147 0.116 2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.975 1.289 1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.461 1.394 -0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.667 -1.812 1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.938 -0.004 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.161 -3.214 -0.740 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.785 -2.313 -2.576 1.00 0.00 H new ATOM 1151 N THR A 79 8.041 3.679 2.606 1.00 0.00 N ATOM 1152 CA THR A 79 7.503 5.035 2.708 1.00 0.00 C ATOM 1153 C THR A 79 8.533 6.061 2.245 1.00 0.00 C ATOM 1154 O THR A 79 8.283 6.836 1.322 1.00 0.00 O ATOM 1155 CB THR A 79 7.080 5.346 4.149 1.00 0.00 C ATOM 1156 OG1 THR A 79 7.201 4.194 4.969 1.00 0.00 O ATOM 1157 CG2 THR A 79 5.655 5.848 4.253 1.00 0.00 C ATOM 0 H THR A 79 8.067 3.164 3.486 1.00 0.00 H new ATOM 0 HA THR A 79 6.627 5.094 2.062 1.00 0.00 H new ATOM 0 HB THR A 79 7.750 6.136 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.546 3.521 4.687 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.416 6.050 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.549 6.764 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.973 5.091 3.865 1.00 0.00 H new ATOM 1165 N GLN A 80 9.686 6.059 2.910 1.00 0.00 N ATOM 1166 CA GLN A 80 10.772 6.986 2.596 1.00 0.00 C ATOM 1167 C GLN A 80 10.961 7.144 1.091 1.00 0.00 C ATOM 1168 O GLN A 80 11.217 8.245 0.603 1.00 0.00 O ATOM 1169 CB GLN A 80 12.071 6.507 3.240 1.00 0.00 C ATOM 1170 CG GLN A 80 13.200 7.521 3.157 1.00 0.00 C ATOM 1171 CD GLN A 80 13.744 7.908 4.519 1.00 0.00 C ATOM 1172 OE1 GLN A 80 13.758 9.084 4.881 1.00 0.00 O ATOM 1173 NE2 GLN A 80 14.196 6.918 5.281 1.00 0.00 N ATOM 0 H GLN A 80 9.894 5.419 3.677 1.00 0.00 H new ATOM 0 HA GLN A 80 10.504 7.962 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.882 6.271 4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.387 5.583 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.008 7.110 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.842 8.415 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.165 5.957 4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.574 7.119 6.207 1.00 0.00 H new ATOM 1182 N VAL A 81 10.820 6.045 0.360 1.00 0.00 N ATOM 1183 CA VAL A 81 10.959 6.076 -1.091 1.00 0.00 C ATOM 1184 C VAL A 81 9.862 6.938 -1.704 1.00 0.00 C ATOM 1185 O VAL A 81 10.139 7.918 -2.398 1.00 0.00 O ATOM 1186 CB VAL A 81 10.878 4.655 -1.694 1.00 0.00 C ATOM 1187 CG1 VAL A 81 11.086 4.675 -3.202 1.00 0.00 C ATOM 1188 CG2 VAL A 81 11.888 3.736 -1.033 1.00 0.00 C ATOM 0 H VAL A 81 10.610 5.124 0.746 1.00 0.00 H new ATOM 0 HA VAL A 81 11.937 6.499 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 81 9.876 4.272 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.022 3.659 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.316 5.291 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.068 5.090 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.815 2.741 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.893 4.128 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.682 3.678 0.036 1.00 0.00 H new ATOM 1198 N SER A 82 8.608 6.564 -1.445 1.00 0.00 N ATOM 1199 CA SER A 82 7.463 7.302 -1.981 1.00 0.00 C ATOM 1200 C SER A 82 7.600 8.799 -1.737 1.00 0.00 C ATOM 1201 O SER A 82 7.573 9.593 -2.675 1.00 0.00 O ATOM 1202 CB SER A 82 6.133 6.813 -1.385 1.00 0.00 C ATOM 1203 OG SER A 82 6.285 6.316 -0.065 1.00 0.00 O ATOM 0 H SER A 82 8.360 5.759 -0.870 1.00 0.00 H new ATOM 0 HA SER A 82 7.455 7.113 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.415 7.634 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.719 6.030 -2.020 1.00 0.00 H new ATOM 0 HG SER A 82 6.866 6.917 0.446 1.00 0.00 H new ATOM 1209 N ASP A 83 7.741 9.175 -0.474 1.00 0.00 N ATOM 1210 CA ASP A 83 7.881 10.579 -0.104 1.00 0.00 C ATOM 1211 C ASP A 83 9.089 11.206 -0.796 1.00 0.00 C ATOM 1212 O ASP A 83 9.108 12.406 -1.077 1.00 0.00 O ATOM 1213 CB ASP A 83 8.033 10.707 1.411 1.00 0.00 C ATOM 1214 CG ASP A 83 6.700 10.803 2.127 1.00 0.00 C ATOM 1215 OD1 ASP A 83 5.802 11.507 1.621 1.00 0.00 O ATOM 1216 OD2 ASP A 83 6.555 10.173 3.197 1.00 0.00 O ATOM 0 H ASP A 83 7.762 8.528 0.314 1.00 0.00 H new ATOM 0 HA ASP A 83 6.984 11.108 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.584 9.846 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.628 11.592 1.639 1.00 0.00 H new ATOM 1221 N GLU A 84 10.087 10.375 -1.082 1.00 0.00 N ATOM 1222 CA GLU A 84 11.297 10.839 -1.752 1.00 0.00 C ATOM 1223 C GLU A 84 10.944 11.479 -3.083 1.00 0.00 C ATOM 1224 O GLU A 84 11.391 12.580 -3.392 1.00 0.00 O ATOM 1225 CB GLU A 84 12.277 9.687 -1.967 1.00 0.00 C ATOM 1226 CG GLU A 84 13.697 10.152 -2.242 1.00 0.00 C ATOM 1227 CD GLU A 84 14.743 9.249 -1.617 1.00 0.00 C ATOM 1228 OE1 GLU A 84 14.386 8.129 -1.194 1.00 0.00 O ATOM 1229 OE2 GLU A 84 15.919 9.663 -1.551 1.00 0.00 O ATOM 0 H GLU A 84 10.082 9.379 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 84 11.777 11.582 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.276 9.048 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.933 9.077 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.858 10.195 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.823 11.165 -1.860 1.00 0.00 H new ATOM 1236 N LEU A 85 10.145 10.780 -3.872 1.00 0.00 N ATOM 1237 CA LEU A 85 9.743 11.295 -5.166 1.00 0.00 C ATOM 1238 C LEU A 85 8.703 12.402 -5.008 1.00 0.00 C ATOM 1239 O LEU A 85 8.836 13.472 -5.600 1.00 0.00 O ATOM 1240 CB LEU A 85 9.190 10.182 -6.049 1.00 0.00 C ATOM 1241 CG LEU A 85 8.859 10.616 -7.474 1.00 0.00 C ATOM 1242 CD1 LEU A 85 10.102 10.578 -8.347 1.00 0.00 C ATOM 1243 CD2 LEU A 85 7.775 9.728 -8.051 1.00 0.00 C ATOM 0 H LEU A 85 9.766 9.862 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 85 10.628 11.711 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.917 9.371 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.289 9.780 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 85 8.493 11.642 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.845 10.891 -9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.854 11.253 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.499 9.563 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.547 10.047 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.120 8.694 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.878 9.804 -7.437 1.00 0.00 H new ATOM 1255 N PHE A 86 7.671 12.142 -4.205 1.00 0.00 N ATOM 1256 CA PHE A 86 6.611 13.124 -3.976 1.00 0.00 C ATOM 1257 C PHE A 86 7.162 14.435 -3.416 1.00 0.00 C ATOM 1258 O PHE A 86 6.443 15.425 -3.351 1.00 0.00 O ATOM 1259 CB PHE A 86 5.558 12.559 -3.018 1.00 0.00 C ATOM 1260 CG PHE A 86 4.332 13.427 -2.850 1.00 0.00 C ATOM 1261 CD1 PHE A 86 4.306 14.468 -1.936 1.00 0.00 C ATOM 1262 CD2 PHE A 86 3.197 13.183 -3.597 1.00 0.00 C ATOM 1263 CE1 PHE A 86 3.169 15.243 -1.783 1.00 0.00 C ATOM 1264 CE2 PHE A 86 2.061 13.949 -3.446 1.00 0.00 C ATOM 1265 CZ PHE A 86 2.046 14.981 -2.537 1.00 0.00 C ATOM 0 H PHE A 86 7.547 11.262 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 86 6.151 13.335 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.247 11.578 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.018 12.409 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.180 14.677 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.199 12.376 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.162 16.055 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.184 13.739 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.158 15.583 -2.415 1.00 0.00 H new ATOM 1275 N GLN A 87 8.436 14.436 -3.013 1.00 0.00 N ATOM 1276 CA GLN A 87 9.084 15.630 -2.461 1.00 0.00 C ATOM 1277 C GLN A 87 8.755 16.888 -3.272 1.00 0.00 C ATOM 1278 O GLN A 87 9.545 17.319 -4.112 1.00 0.00 O ATOM 1279 CB GLN A 87 10.599 15.423 -2.423 1.00 0.00 C ATOM 1280 CG GLN A 87 11.260 15.957 -1.166 1.00 0.00 C ATOM 1281 CD GLN A 87 11.961 17.279 -1.394 1.00 0.00 C ATOM 1282 OE1 GLN A 87 11.933 17.831 -2.495 1.00 0.00 O ATOM 1283 NE2 GLN A 87 12.599 17.795 -0.351 1.00 0.00 N ATOM 0 H GLN A 87 9.043 13.617 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 87 8.701 15.778 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.813 14.358 -2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.044 15.909 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.507 16.079 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.981 15.226 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.596 17.304 0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.092 18.683 -0.443 1.00 0.00 H new ATOM 1292 N GLY A 88 7.584 17.468 -3.021 1.00 0.00 N ATOM 1293 CA GLY A 88 7.174 18.659 -3.743 1.00 0.00 C ATOM 1294 C GLY A 88 6.385 18.334 -4.998 1.00 0.00 C ATOM 1295 O GLY A 88 6.337 19.132 -5.934 1.00 0.00 O ATOM 0 H GLY A 88 6.912 17.134 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.568 19.286 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.057 19.239 -4.012 1.00 0.00 H new ATOM 1299 N GLY A 89 5.763 17.157 -5.016 1.00 0.00 N ATOM 1300 CA GLY A 89 4.980 16.745 -6.166 1.00 0.00 C ATOM 1301 C GLY A 89 3.587 16.268 -5.788 1.00 0.00 C ATOM 1302 O GLY A 89 3.346 15.064 -5.702 1.00 0.00 O ATOM 0 H GLY A 89 5.788 16.481 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.897 17.580 -6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.504 15.945 -6.689 1.00 0.00 H new ATOM 1306 N PRO A 90 2.639 17.196 -5.555 1.00 0.00 N ATOM 1307 CA PRO A 90 1.257 16.855 -5.185 1.00 0.00 C ATOM 1308 C PRO A 90 0.463 16.246 -6.330 1.00 0.00 C ATOM 1309 O PRO A 90 -0.696 16.599 -6.553 1.00 0.00 O ATOM 1310 CB PRO A 90 0.651 18.200 -4.794 1.00 0.00 C ATOM 1311 CG PRO A 90 1.461 19.217 -5.517 1.00 0.00 C ATOM 1312 CD PRO A 90 2.849 18.653 -5.629 1.00 0.00 C ATOM 0 HA PRO A 90 1.235 16.103 -4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.399 18.257 -5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.696 18.354 -3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.042 19.417 -6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.469 20.163 -4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.325 18.942 -6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.492 19.007 -4.823 1.00 0.00 H new ATOM 1320 N ASN A 91 1.086 15.334 -7.054 1.00 0.00 N ATOM 1321 CA ASN A 91 0.438 14.679 -8.174 1.00 0.00 C ATOM 1322 C ASN A 91 -0.275 13.408 -7.722 1.00 0.00 C ATOM 1323 O ASN A 91 -0.017 12.890 -6.636 1.00 0.00 O ATOM 1324 CB ASN A 91 1.474 14.355 -9.250 1.00 0.00 C ATOM 1325 CG ASN A 91 2.485 15.473 -9.429 1.00 0.00 C ATOM 1326 OD1 ASN A 91 3.616 15.387 -8.950 1.00 0.00 O ATOM 1327 ND2 ASN A 91 2.078 16.536 -10.115 1.00 0.00 N ATOM 0 H ASN A 91 2.045 15.029 -6.885 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.310 15.354 -8.589 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.995 13.435 -8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.966 14.172 -10.197 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.712 17.322 -10.262 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.132 16.566 -10.495 1.00 0.00 H new ATOM 1334 N TRP A 92 -1.171 12.917 -8.569 1.00 0.00 N ATOM 1335 CA TRP A 92 -1.933 11.699 -8.277 1.00 0.00 C ATOM 1336 C TRP A 92 -1.043 10.457 -8.401 1.00 0.00 C ATOM 1337 O TRP A 92 -1.316 9.416 -7.803 1.00 0.00 O ATOM 1338 CB TRP A 92 -3.139 11.577 -9.229 1.00 0.00 C ATOM 1339 CG TRP A 92 -3.323 12.767 -10.129 1.00 0.00 C ATOM 1340 CD1 TRP A 92 -3.808 13.993 -9.774 1.00 0.00 C ATOM 1341 CD2 TRP A 92 -3.010 12.848 -11.526 1.00 0.00 C ATOM 1342 NE1 TRP A 92 -3.806 14.834 -10.861 1.00 0.00 N ATOM 1343 CE2 TRP A 92 -3.324 14.154 -11.949 1.00 0.00 C ATOM 1344 CE3 TRP A 92 -2.493 11.946 -12.460 1.00 0.00 C ATOM 1345 CZ2 TRP A 92 -3.136 14.578 -13.262 1.00 0.00 C ATOM 1346 CZ3 TRP A 92 -2.309 12.368 -13.764 1.00 0.00 C ATOM 1347 CH2 TRP A 92 -2.629 13.674 -14.155 1.00 0.00 C ATOM 0 H TRP A 92 -1.392 13.343 -9.469 1.00 0.00 H new ATOM 0 HA TRP A 92 -2.296 11.766 -7.251 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -3.017 10.684 -9.843 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.044 11.436 -8.638 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.144 14.263 -8.784 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.113 15.807 -10.858 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -2.242 10.937 -12.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.382 15.585 -13.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.911 11.678 -14.494 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.473 13.973 -15.181 1.00 0.00 H new ATOM 1358 N GLY A 93 0.014 10.574 -9.199 1.00 0.00 N ATOM 1359 CA GLY A 93 0.928 9.462 -9.412 1.00 0.00 C ATOM 1360 C GLY A 93 1.446 8.861 -8.121 1.00 0.00 C ATOM 1361 O GLY A 93 1.526 7.640 -7.977 1.00 0.00 O ATOM 0 H GLY A 93 0.256 11.425 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.421 8.688 -9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.772 9.803 -10.011 1.00 0.00 H new ATOM 1365 N ARG A 94 1.792 9.722 -7.183 1.00 0.00 N ATOM 1366 CA ARG A 94 2.305 9.287 -5.894 1.00 0.00 C ATOM 1367 C ARG A 94 1.173 8.753 -5.017 1.00 0.00 C ATOM 1368 O ARG A 94 1.417 8.115 -3.992 1.00 0.00 O ATOM 1369 CB ARG A 94 3.003 10.453 -5.196 1.00 0.00 C ATOM 1370 CG ARG A 94 4.102 11.124 -6.025 1.00 0.00 C ATOM 1371 CD ARG A 94 3.521 12.054 -7.084 1.00 0.00 C ATOM 1372 NE ARG A 94 4.503 13.005 -7.613 1.00 0.00 N ATOM 1373 CZ ARG A 94 5.020 12.935 -8.844 1.00 0.00 C ATOM 1374 NH1 ARG A 94 4.695 11.935 -9.654 1.00 0.00 N ATOM 1375 NH2 ARG A 94 5.866 13.868 -9.267 1.00 0.00 N ATOM 0 H ARG A 94 1.727 10.734 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 94 3.023 8.483 -6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.256 11.202 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.437 10.094 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.761 11.689 -5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.712 10.360 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.123 11.457 -7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.684 12.605 -6.656 1.00 0.00 H new ATOM 0 HE ARG A 94 4.810 13.765 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.047 11.213 -9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.093 11.888 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.123 14.640 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.259 13.812 -10.207 1.00 0.00 H new ATOM 1389 N LEU A 95 -0.067 9.015 -5.431 1.00 0.00 N ATOM 1390 CA LEU A 95 -1.235 8.556 -4.690 1.00 0.00 C ATOM 1391 C LEU A 95 -1.439 7.062 -4.913 1.00 0.00 C ATOM 1392 O LEU A 95 -1.511 6.285 -3.961 1.00 0.00 O ATOM 1393 CB LEU A 95 -2.483 9.334 -5.129 1.00 0.00 C ATOM 1394 CG LEU A 95 -2.958 10.415 -4.160 1.00 0.00 C ATOM 1395 CD1 LEU A 95 -1.805 11.324 -3.757 1.00 0.00 C ATOM 1396 CD2 LEU A 95 -4.083 11.221 -4.795 1.00 0.00 C ATOM 0 H LEU A 95 -0.285 9.543 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.071 8.735 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.279 9.799 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.297 8.625 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.336 9.935 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.167 12.086 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.029 10.733 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.393 11.804 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.417 11.990 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.722 11.691 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.916 10.559 -5.032 1.00 0.00 H new ATOM 1408 N VAL A 96 -1.524 6.670 -6.179 1.00 0.00 N ATOM 1409 CA VAL A 96 -1.711 5.273 -6.532 1.00 0.00 C ATOM 1410 C VAL A 96 -0.514 4.442 -6.077 1.00 0.00 C ATOM 1411 O VAL A 96 -0.673 3.314 -5.611 1.00 0.00 O ATOM 1412 CB VAL A 96 -1.911 5.102 -8.051 1.00 0.00 C ATOM 1413 CG1 VAL A 96 -2.176 3.649 -8.398 1.00 0.00 C ATOM 1414 CG2 VAL A 96 -3.045 5.988 -8.544 1.00 0.00 C ATOM 0 H VAL A 96 -1.466 7.303 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.609 4.922 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.993 5.409 -8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.314 3.551 -9.475 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.329 3.040 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.076 3.311 -7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.171 5.854 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.968 5.715 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.809 7.031 -8.334 1.00 0.00 H new ATOM 1424 N ALA A 97 0.684 5.011 -6.208 1.00 0.00 N ATOM 1425 CA ALA A 97 1.904 4.322 -5.802 1.00 0.00 C ATOM 1426 C ALA A 97 1.995 4.221 -4.280 1.00 0.00 C ATOM 1427 O ALA A 97 1.854 3.143 -3.709 1.00 0.00 O ATOM 1428 CB ALA A 97 3.125 5.034 -6.370 1.00 0.00 C ATOM 0 H ALA A 97 0.833 5.944 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 97 1.875 3.308 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.029 4.510 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.067 5.044 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.154 6.058 -5.999 1.00 0.00 H new ATOM 1434 N PHE A 98 2.227 5.350 -3.621 1.00 0.00 N ATOM 1435 CA PHE A 98 2.326 5.373 -2.164 1.00 0.00 C ATOM 1436 C PHE A 98 1.242 4.502 -1.524 1.00 0.00 C ATOM 1437 O PHE A 98 1.465 3.873 -0.492 1.00 0.00 O ATOM 1438 CB PHE A 98 2.214 6.809 -1.647 1.00 0.00 C ATOM 1439 CG PHE A 98 2.322 6.915 -0.154 1.00 0.00 C ATOM 1440 CD1 PHE A 98 1.321 6.424 0.669 1.00 0.00 C ATOM 1441 CD2 PHE A 98 3.436 7.496 0.425 1.00 0.00 C ATOM 1442 CE1 PHE A 98 1.432 6.512 2.041 1.00 0.00 C ATOM 1443 CE2 PHE A 98 3.550 7.588 1.795 1.00 0.00 C ATOM 1444 CZ PHE A 98 2.550 7.095 2.603 1.00 0.00 C ATOM 0 H PHE A 98 2.350 6.258 -4.068 1.00 0.00 H new ATOM 0 HA PHE A 98 3.299 4.968 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.997 7.414 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.260 7.229 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.445 5.968 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.225 7.882 -0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.647 6.126 2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.423 8.047 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.640 7.164 3.677 1.00 0.00 H new ATOM 1454 N PHE A 99 0.070 4.472 -2.143 1.00 0.00 N ATOM 1455 CA PHE A 99 -1.040 3.681 -1.628 1.00 0.00 C ATOM 1456 C PHE A 99 -0.709 2.186 -1.635 1.00 0.00 C ATOM 1457 O PHE A 99 -0.691 1.546 -0.583 1.00 0.00 O ATOM 1458 CB PHE A 99 -2.301 3.935 -2.450 1.00 0.00 C ATOM 1459 CG PHE A 99 -3.489 3.163 -1.961 1.00 0.00 C ATOM 1460 CD1 PHE A 99 -3.635 1.821 -2.275 1.00 0.00 C ATOM 1461 CD2 PHE A 99 -4.453 3.775 -1.183 1.00 0.00 C ATOM 1462 CE1 PHE A 99 -4.725 1.105 -1.820 1.00 0.00 C ATOM 1463 CE2 PHE A 99 -5.544 3.066 -0.724 1.00 0.00 C ATOM 1464 CZ PHE A 99 -5.682 1.729 -1.043 1.00 0.00 C ATOM 0 H PHE A 99 -0.137 4.985 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.215 3.988 -0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.533 5.000 -2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.108 3.673 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.889 1.330 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.351 4.820 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.829 0.060 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.290 3.556 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.536 1.173 -0.686 1.00 0.00 H new ATOM 1474 N VAL A 100 -0.456 1.634 -2.828 1.00 0.00 N ATOM 1475 CA VAL A 100 -0.136 0.208 -2.972 1.00 0.00 C ATOM 1476 C VAL A 100 0.858 -0.239 -1.920 1.00 0.00 C ATOM 1477 O VAL A 100 0.814 -1.372 -1.439 1.00 0.00 O ATOM 1478 CB VAL A 100 0.453 -0.125 -4.364 1.00 0.00 C ATOM 1479 CG1 VAL A 100 1.768 0.603 -4.592 1.00 0.00 C ATOM 1480 CG2 VAL A 100 0.664 -1.622 -4.511 1.00 0.00 C ATOM 0 H VAL A 100 -0.467 2.152 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.080 -0.323 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.263 0.210 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.158 0.350 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.603 1.679 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.487 0.303 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.079 -1.836 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.355 -1.969 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.290 -2.137 -4.399 1.00 0.00 H new ATOM 1490 N PHE A 101 1.760 0.658 -1.574 1.00 0.00 N ATOM 1491 CA PHE A 101 2.773 0.367 -0.585 1.00 0.00 C ATOM 1492 C PHE A 101 2.129 0.144 0.783 1.00 0.00 C ATOM 1493 O PHE A 101 2.162 -0.963 1.321 1.00 0.00 O ATOM 1494 CB PHE A 101 3.779 1.516 -0.541 1.00 0.00 C ATOM 1495 CG PHE A 101 4.081 1.998 0.845 1.00 0.00 C ATOM 1496 CD1 PHE A 101 4.667 1.163 1.784 1.00 0.00 C ATOM 1497 CD2 PHE A 101 3.736 3.279 1.213 1.00 0.00 C ATOM 1498 CE1 PHE A 101 4.909 1.611 3.068 1.00 0.00 C ATOM 1499 CE2 PHE A 101 3.966 3.729 2.487 1.00 0.00 C ATOM 1500 CZ PHE A 101 4.556 2.899 3.420 1.00 0.00 C ATOM 0 H PHE A 101 1.810 1.598 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 101 3.299 -0.548 -0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.706 1.194 -1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.393 2.348 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.936 0.154 1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.279 3.937 0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.372 0.958 3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.685 4.735 2.762 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.741 3.256 4.422 1.00 0.00 H new ATOM 1510 N GLY A 102 1.548 1.209 1.344 1.00 0.00 N ATOM 1511 CA GLY A 102 0.905 1.117 2.643 1.00 0.00 C ATOM 1512 C GLY A 102 0.119 -0.170 2.823 1.00 0.00 C ATOM 1513 O GLY A 102 0.304 -0.881 3.807 1.00 0.00 O ATOM 0 H GLY A 102 1.514 2.135 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.663 1.186 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.235 1.967 2.772 1.00 0.00 H new ATOM 1517 N ALA A 103 -0.755 -0.466 1.861 1.00 0.00 N ATOM 1518 CA ALA A 103 -1.578 -1.673 1.905 1.00 0.00 C ATOM 1519 C ALA A 103 -0.721 -2.934 1.896 1.00 0.00 C ATOM 1520 O ALA A 103 -0.814 -3.771 2.795 1.00 0.00 O ATOM 1521 CB ALA A 103 -2.546 -1.685 0.730 1.00 0.00 C ATOM 0 H ALA A 103 -0.911 0.117 1.039 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.143 -1.662 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.156 -2.588 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.192 -0.808 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.985 -1.668 -0.204 1.00 0.00 H new ATOM 1527 N ALA A 104 0.111 -3.072 0.865 1.00 0.00 N ATOM 1528 CA ALA A 104 0.980 -4.237 0.732 1.00 0.00 C ATOM 1529 C ALA A 104 1.795 -4.455 1.998 1.00 0.00 C ATOM 1530 O ALA A 104 1.740 -5.520 2.614 1.00 0.00 O ATOM 1531 CB ALA A 104 1.901 -4.081 -0.470 1.00 0.00 C ATOM 0 H ALA A 104 0.201 -2.391 0.111 1.00 0.00 H new ATOM 0 HA ALA A 104 0.350 -5.113 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.542 -4.959 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 104 1.303 -3.980 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.518 -3.192 -0.342 1.00 0.00 H new ATOM 1537 N LEU A 105 2.546 -3.434 2.387 1.00 0.00 N ATOM 1538 CA LEU A 105 3.364 -3.508 3.586 1.00 0.00 C ATOM 1539 C LEU A 105 2.486 -3.634 4.833 1.00 0.00 C ATOM 1540 O LEU A 105 2.967 -4.001 5.905 1.00 0.00 O ATOM 1541 CB LEU A 105 4.263 -2.272 3.680 1.00 0.00 C ATOM 1542 CG LEU A 105 5.739 -2.522 3.343 1.00 0.00 C ATOM 1543 CD1 LEU A 105 6.371 -3.462 4.355 1.00 0.00 C ATOM 1544 CD2 LEU A 105 5.887 -3.095 1.943 1.00 0.00 C ATOM 0 H LEU A 105 2.605 -2.546 1.889 1.00 0.00 H new ATOM 0 HA LEU A 105 3.993 -4.396 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.876 -1.507 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.199 -1.870 4.691 1.00 0.00 H new ATOM 0 HG LEU A 105 6.255 -1.563 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.417 -3.625 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.308 -3.021 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.842 -4.415 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.942 -3.263 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.348 -4.040 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.477 -2.393 1.217 1.00 0.00 H new ATOM 1556 N CYS A 106 1.195 -3.340 4.684 1.00 0.00 N ATOM 1557 CA CYS A 106 0.262 -3.430 5.802 1.00 0.00 C ATOM 1558 C CYS A 106 -0.104 -4.879 6.094 1.00 0.00 C ATOM 1559 O CYS A 106 0.220 -5.404 7.157 1.00 0.00 O ATOM 1560 CB CYS A 106 -0.997 -2.610 5.522 1.00 0.00 C ATOM 1561 SG CYS A 106 -1.123 -1.121 6.537 1.00 0.00 S ATOM 0 H CYS A 106 0.775 -3.039 3.805 1.00 0.00 H new ATOM 0 HA CYS A 106 0.756 -3.019 6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -1.010 -2.326 4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -1.874 -3.234 5.695 1.00 0.00 H new ATOM 0 HG CYS A 106 -2.094 -0.377 6.097 1.00 0.00 H new ATOM 1567 N ALA A 107 -0.777 -5.528 5.149 1.00 0.00 N ATOM 1568 CA ALA A 107 -1.174 -6.919 5.324 1.00 0.00 C ATOM 1569 C ALA A 107 0.037 -7.789 5.651 1.00 0.00 C ATOM 1570 O ALA A 107 -0.079 -8.797 6.347 1.00 0.00 O ATOM 1571 CB ALA A 107 -1.874 -7.429 4.074 1.00 0.00 C ATOM 0 H ALA A 107 -1.057 -5.115 4.259 1.00 0.00 H new ATOM 0 HA ALA A 107 -1.870 -6.976 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.165 -8.469 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.762 -6.827 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -1.197 -7.357 3.223 1.00 0.00 H new ATOM 1577 N GLU A 108 1.200 -7.387 5.148 1.00 0.00 N ATOM 1578 CA GLU A 108 2.433 -8.125 5.390 1.00 0.00 C ATOM 1579 C GLU A 108 2.808 -8.079 6.863 1.00 0.00 C ATOM 1580 O GLU A 108 2.911 -9.112 7.522 1.00 0.00 O ATOM 1581 CB GLU A 108 3.570 -7.551 4.546 1.00 0.00 C ATOM 1582 CG GLU A 108 3.619 -8.121 3.140 1.00 0.00 C ATOM 1583 CD GLU A 108 5.012 -8.090 2.548 1.00 0.00 C ATOM 1584 OE1 GLU A 108 5.758 -7.131 2.835 1.00 0.00 O ATOM 1585 OE2 GLU A 108 5.357 -9.026 1.797 1.00 0.00 O ATOM 0 H GLU A 108 1.314 -6.554 4.570 1.00 0.00 H new ATOM 0 HA GLU A 108 2.268 -9.164 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.460 -6.468 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.519 -7.749 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.258 -9.149 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.943 -7.555 2.499 1.00 0.00 H new ATOM 1592 N SER A 109 3.008 -6.872 7.372 1.00 0.00 N ATOM 1593 CA SER A 109 3.370 -6.682 8.768 1.00 0.00 C ATOM 1594 C SER A 109 2.238 -7.125 9.694 1.00 0.00 C ATOM 1595 O SER A 109 2.483 -7.693 10.759 1.00 0.00 O ATOM 1596 CB SER A 109 3.708 -5.216 9.021 1.00 0.00 C ATOM 1597 OG SER A 109 4.439 -4.664 7.940 1.00 0.00 O ATOM 0 H SER A 109 2.925 -6.008 6.837 1.00 0.00 H new ATOM 0 HA SER A 109 4.244 -7.297 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.789 -4.649 9.169 1.00 0.00 H new ATOM 0 HB3 SER A 109 4.289 -5.127 9.939 1.00 0.00 H new ATOM 0 HG SER A 109 3.850 -4.092 7.405 1.00 0.00 H new ATOM 1603 N VAL A 110 0.999 -6.861 9.282 1.00 0.00 N ATOM 1604 CA VAL A 110 -0.173 -7.231 10.077 1.00 0.00 C ATOM 1605 C VAL A 110 -0.278 -8.748 10.229 1.00 0.00 C ATOM 1606 O VAL A 110 -0.105 -9.282 11.324 1.00 0.00 O ATOM 1607 CB VAL A 110 -1.479 -6.688 9.448 1.00 0.00 C ATOM 1608 CG1 VAL A 110 -2.701 -7.123 10.251 1.00 0.00 C ATOM 1609 CG2 VAL A 110 -1.431 -5.169 9.335 1.00 0.00 C ATOM 0 H VAL A 110 0.780 -6.393 8.403 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.044 -6.781 11.061 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.566 -7.109 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.603 -6.726 9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.753 -8.212 10.274 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.622 -6.742 11.269 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.358 -4.808 8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.311 -4.734 10.327 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.590 -4.877 8.706 1.00 0.00 H new ATOM 1619 N ASN A 111 -0.578 -9.434 9.127 1.00 0.00 N ATOM 1620 CA ASN A 111 -0.722 -10.890 9.137 1.00 0.00 C ATOM 1621 C ASN A 111 0.414 -11.556 9.904 1.00 0.00 C ATOM 1622 O ASN A 111 0.191 -12.486 10.680 1.00 0.00 O ATOM 1623 CB ASN A 111 -0.766 -11.431 7.709 1.00 0.00 C ATOM 1624 CG ASN A 111 -1.740 -12.582 7.565 1.00 0.00 C ATOM 1625 OD1 ASN A 111 -2.938 -12.424 7.784 1.00 0.00 O ATOM 1626 ND2 ASN A 111 -1.228 -13.753 7.202 1.00 0.00 N ATOM 0 H ASN A 111 -0.726 -9.004 8.214 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.660 -11.125 9.641 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -1.049 -10.629 7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.231 -11.761 7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.836 -14.565 7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.226 -13.840 7.030 1.00 0.00 H new ATOM 1633 N LYS A 112 1.630 -11.068 9.689 1.00 0.00 N ATOM 1634 CA LYS A 112 2.803 -11.608 10.365 1.00 0.00 C ATOM 1635 C LYS A 112 2.811 -11.232 11.850 1.00 0.00 C ATOM 1636 O LYS A 112 3.827 -11.377 12.529 1.00 0.00 O ATOM 1637 CB LYS A 112 4.077 -11.093 9.688 1.00 0.00 C ATOM 1638 CG LYS A 112 5.159 -12.148 9.527 1.00 0.00 C ATOM 1639 CD LYS A 112 5.245 -12.647 8.093 1.00 0.00 C ATOM 1640 CE LYS A 112 6.008 -11.677 7.206 1.00 0.00 C ATOM 1641 NZ LYS A 112 6.948 -12.382 6.290 1.00 0.00 N ATOM 0 H LYS A 112 1.829 -10.298 9.051 1.00 0.00 H new ATOM 0 HA LYS A 112 2.766 -12.695 10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.820 -10.698 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.476 -10.263 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.121 -11.732 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.953 -12.986 10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.736 -13.620 8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.240 -12.790 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.302 -11.090 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.565 -10.977 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.449 -11.685 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.638 -12.922 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.414 -13.031 5.678 1.00 0.00 H new ATOM 1655 N GLU A 113 1.673 -10.745 12.350 1.00 0.00 N ATOM 1656 CA GLU A 113 1.551 -10.350 13.748 1.00 0.00 C ATOM 1657 C GLU A 113 2.641 -9.357 14.134 1.00 0.00 C ATOM 1658 O GLU A 113 3.053 -9.290 15.291 1.00 0.00 O ATOM 1659 CB GLU A 113 1.610 -11.580 14.652 1.00 0.00 C ATOM 1660 CG GLU A 113 0.847 -11.413 15.956 1.00 0.00 C ATOM 1661 CD GLU A 113 1.742 -11.532 17.174 1.00 0.00 C ATOM 1662 OE1 GLU A 113 2.493 -10.575 17.455 1.00 0.00 O ATOM 1663 OE2 GLU A 113 1.691 -12.584 17.847 1.00 0.00 O ATOM 0 H GLU A 113 0.822 -10.616 11.802 1.00 0.00 H new ATOM 0 HA GLU A 113 0.586 -9.861 13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 113 1.207 -12.437 14.112 1.00 0.00 H new ATOM 0 HB3 GLU A 113 2.652 -11.806 14.877 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.357 -10.440 15.964 1.00 0.00 H new ATOM 0 HG3 GLU A 113 0.061 -12.166 16.012 1.00 0.00 H new ATOM 1670 N MET A 114 3.104 -8.589 13.155 1.00 0.00 N ATOM 1671 CA MET A 114 4.149 -7.602 13.388 1.00 0.00 C ATOM 1672 C MET A 114 3.567 -6.198 13.515 1.00 0.00 C ATOM 1673 O MET A 114 3.992 -5.277 12.820 1.00 0.00 O ATOM 1674 CB MET A 114 5.170 -7.645 12.253 1.00 0.00 C ATOM 1675 CG MET A 114 6.597 -7.440 12.725 1.00 0.00 C ATOM 1676 SD MET A 114 7.432 -8.985 13.149 1.00 0.00 S ATOM 1677 CE MET A 114 6.153 -9.859 14.054 1.00 0.00 C ATOM 0 H MET A 114 2.771 -8.631 12.192 1.00 0.00 H new ATOM 0 HA MET A 114 4.643 -7.848 14.328 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.097 -8.606 11.744 1.00 0.00 H new ATOM 0 HB3 MET A 114 4.922 -6.876 11.521 1.00 0.00 H new ATOM 0 HG2 MET A 114 7.162 -6.931 11.944 1.00 0.00 H new ATOM 0 HG3 MET A 114 6.595 -6.784 13.596 1.00 0.00 H new ATOM 0 HE1 MET A 114 6.527 -10.836 14.360 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.875 -9.284 14.937 1.00 0.00 H new ATOM 0 HE3 MET A 114 5.279 -9.988 13.415 1.00 0.00 H new ATOM 1687 N GLU A 115 2.597 -6.043 14.413 1.00 0.00 N ATOM 1688 CA GLU A 115 1.954 -4.753 14.637 1.00 0.00 C ATOM 1689 C GLU A 115 2.939 -3.732 15.202 1.00 0.00 C ATOM 1690 O GLU A 115 2.816 -2.533 14.946 1.00 0.00 O ATOM 1691 CB GLU A 115 0.772 -4.913 15.593 1.00 0.00 C ATOM 1692 CG GLU A 115 -0.259 -5.925 15.118 1.00 0.00 C ATOM 1693 CD GLU A 115 -1.633 -5.311 14.930 1.00 0.00 C ATOM 1694 OE1 GLU A 115 -2.198 -4.806 15.922 1.00 0.00 O ATOM 1695 OE2 GLU A 115 -2.144 -5.337 13.791 1.00 0.00 O ATOM 0 H GLU A 115 2.239 -6.798 14.998 1.00 0.00 H new ATOM 0 HA GLU A 115 1.597 -4.387 13.675 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.145 -5.217 16.571 1.00 0.00 H new ATOM 0 HB3 GLU A 115 0.287 -3.946 15.724 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.072 -6.361 14.176 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -0.324 -6.739 15.840 1.00 0.00 H new ATOM 1702 N VAL A 116 3.914 -4.214 15.974 1.00 0.00 N ATOM 1703 CA VAL A 116 4.921 -3.342 16.582 1.00 0.00 C ATOM 1704 C VAL A 116 5.417 -2.291 15.597 1.00 0.00 C ATOM 1705 O VAL A 116 5.322 -1.090 15.853 1.00 0.00 O ATOM 1706 CB VAL A 116 6.131 -4.149 17.095 1.00 0.00 C ATOM 1707 CG1 VAL A 116 7.063 -3.263 17.911 1.00 0.00 C ATOM 1708 CG2 VAL A 116 5.670 -5.348 17.910 1.00 0.00 C ATOM 0 H VAL A 116 4.028 -5.204 16.193 1.00 0.00 H new ATOM 0 HA VAL A 116 4.434 -2.848 17.423 1.00 0.00 H new ATOM 0 HB VAL A 116 6.686 -4.519 16.233 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.910 -3.852 18.263 1.00 0.00 H new ATOM 0 HG12 VAL A 116 7.424 -2.445 17.289 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.523 -2.857 18.766 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.539 -5.904 18.263 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.087 -5.005 18.765 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.053 -5.996 17.287 1.00 0.00 H new ATOM 1718 N LEU A 117 5.943 -2.750 14.470 1.00 0.00 N ATOM 1719 CA LEU A 117 6.448 -1.847 13.448 1.00 0.00 C ATOM 1720 C LEU A 117 5.295 -1.161 12.713 1.00 0.00 C ATOM 1721 O LEU A 117 5.386 0.017 12.369 1.00 0.00 O ATOM 1722 CB LEU A 117 7.332 -2.605 12.457 1.00 0.00 C ATOM 1723 CG LEU A 117 8.572 -3.273 13.063 1.00 0.00 C ATOM 1724 CD1 LEU A 117 8.253 -4.695 13.503 1.00 0.00 C ATOM 1725 CD2 LEU A 117 9.724 -3.267 12.065 1.00 0.00 C ATOM 0 H LEU A 117 6.031 -3.740 14.241 1.00 0.00 H new ATOM 0 HA LEU A 117 7.048 -1.080 13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.729 -3.371 11.969 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.656 -1.912 11.680 1.00 0.00 H new ATOM 0 HG LEU A 117 8.875 -2.702 13.941 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.145 -5.152 13.930 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.461 -4.675 14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.924 -5.277 12.642 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.595 -3.745 12.512 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.431 -3.813 11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.970 -2.239 11.800 1.00 0.00 H new ATOM 1737 N VAL A 118 4.208 -1.903 12.483 1.00 0.00 N ATOM 1738 CA VAL A 118 3.033 -1.363 11.792 1.00 0.00 C ATOM 1739 C VAL A 118 2.658 0.010 12.332 1.00 0.00 C ATOM 1740 O VAL A 118 2.688 1.004 11.608 1.00 0.00 O ATOM 1741 CB VAL A 118 1.812 -2.307 11.924 1.00 0.00 C ATOM 1742 CG1 VAL A 118 0.542 -1.663 11.375 1.00 0.00 C ATOM 1743 CG2 VAL A 118 2.085 -3.610 11.207 1.00 0.00 C ATOM 0 H VAL A 118 4.117 -2.879 12.765 1.00 0.00 H new ATOM 0 HA VAL A 118 3.302 -1.275 10.739 1.00 0.00 H new ATOM 0 HB VAL A 118 1.654 -2.503 12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.293 -2.355 11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.330 -0.748 11.928 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.681 -1.426 10.320 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.221 -4.267 11.305 1.00 0.00 H new ATOM 0 HG22 VAL A 118 2.272 -3.412 10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.959 -4.091 11.647 1.00 0.00 H new ATOM 1753 N GLY A 119 2.307 0.052 13.609 1.00 0.00 N ATOM 1754 CA GLY A 119 1.930 1.304 14.229 1.00 0.00 C ATOM 1755 C GLY A 119 3.004 2.365 14.091 1.00 0.00 C ATOM 1756 O GLY A 119 2.716 3.560 14.152 1.00 0.00 O ATOM 0 H GLY A 119 2.277 -0.759 14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.006 1.666 13.778 1.00 0.00 H new ATOM 0 HA3 GLY A 119 1.724 1.135 15.286 1.00 0.00 H new ATOM 1760 N GLN A 120 4.247 1.929 13.904 1.00 0.00 N ATOM 1761 CA GLN A 120 5.367 2.850 13.757 1.00 0.00 C ATOM 1762 C GLN A 120 5.358 3.500 12.375 1.00 0.00 C ATOM 1763 O GLN A 120 5.504 4.716 12.247 1.00 0.00 O ATOM 1764 CB GLN A 120 6.689 2.113 13.986 1.00 0.00 C ATOM 1765 CG GLN A 120 7.527 2.702 15.111 1.00 0.00 C ATOM 1766 CD GLN A 120 7.615 1.786 16.315 1.00 0.00 C ATOM 1767 OE1 GLN A 120 6.623 1.186 16.729 1.00 0.00 O ATOM 1768 NE2 GLN A 120 8.809 1.674 16.887 1.00 0.00 N ATOM 0 H GLN A 120 4.503 0.943 13.851 1.00 0.00 H new ATOM 0 HA GLN A 120 5.265 3.636 14.505 1.00 0.00 H new ATOM 0 HB2 GLN A 120 6.478 1.067 14.210 1.00 0.00 H new ATOM 0 HB3 GLN A 120 7.270 2.131 13.064 1.00 0.00 H new ATOM 0 HG2 GLN A 120 8.532 2.907 14.741 1.00 0.00 H new ATOM 0 HG3 GLN A 120 7.099 3.657 15.416 1.00 0.00 H new ATOM 0 HE21 GLN A 120 9.605 2.189 16.511 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.930 1.073 17.702 1.00 0.00 H new ATOM 1777 N VAL A 121 5.181 2.677 11.347 1.00 0.00 N ATOM 1778 CA VAL A 121 5.148 3.164 9.972 1.00 0.00 C ATOM 1779 C VAL A 121 4.046 4.197 9.784 1.00 0.00 C ATOM 1780 O VAL A 121 4.221 5.186 9.073 1.00 0.00 O ATOM 1781 CB VAL A 121 4.928 2.017 8.972 1.00 0.00 C ATOM 1782 CG1 VAL A 121 5.099 2.511 7.544 1.00 0.00 C ATOM 1783 CG2 VAL A 121 5.875 0.864 9.261 1.00 0.00 C ATOM 0 H VAL A 121 5.058 1.669 11.440 1.00 0.00 H new ATOM 0 HA VAL A 121 6.117 3.624 9.779 1.00 0.00 H new ATOM 0 HB VAL A 121 3.907 1.654 9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.939 1.685 6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.373 3.299 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.107 2.904 7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.703 0.063 8.542 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.905 1.210 9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.697 0.491 10.270 1.00 0.00 H new ATOM 1793 N GLN A 122 2.906 3.961 10.423 1.00 0.00 N ATOM 1794 CA GLN A 122 1.776 4.873 10.321 1.00 0.00 C ATOM 1795 C GLN A 122 2.102 6.212 10.977 1.00 0.00 C ATOM 1796 O GLN A 122 1.964 7.266 10.358 1.00 0.00 O ATOM 1797 CB GLN A 122 0.533 4.253 10.966 1.00 0.00 C ATOM 1798 CG GLN A 122 -0.586 3.972 9.976 1.00 0.00 C ATOM 1799 CD GLN A 122 -1.450 2.798 10.395 1.00 0.00 C ATOM 1800 OE1 GLN A 122 -2.073 2.819 11.456 1.00 0.00 O ATOM 1801 NE2 GLN A 122 -1.490 1.767 9.561 1.00 0.00 N ATOM 0 H GLN A 122 2.741 3.147 11.016 1.00 0.00 H new ATOM 0 HA GLN A 122 1.572 5.050 9.265 1.00 0.00 H new ATOM 0 HB2 GLN A 122 0.815 3.322 11.458 1.00 0.00 H new ATOM 0 HB3 GLN A 122 0.162 4.924 11.741 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -1.210 4.860 9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -0.157 3.771 8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -0.957 1.793 8.692 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.054 0.948 9.789 1.00 0.00 H new ATOM 1810 N GLU A 123 2.535 6.160 12.237 1.00 0.00 N ATOM 1811 CA GLU A 123 2.882 7.368 12.986 1.00 0.00 C ATOM 1812 C GLU A 123 3.708 8.329 12.137 1.00 0.00 C ATOM 1813 O GLU A 123 3.440 9.529 12.104 1.00 0.00 O ATOM 1814 CB GLU A 123 3.657 7.001 14.255 1.00 0.00 C ATOM 1815 CG GLU A 123 2.785 6.913 15.498 1.00 0.00 C ATOM 1816 CD GLU A 123 2.745 8.214 16.275 1.00 0.00 C ATOM 1817 OE1 GLU A 123 3.697 8.480 17.038 1.00 0.00 O ATOM 1818 OE2 GLU A 123 1.759 8.966 16.122 1.00 0.00 O ATOM 0 H GLU A 123 2.654 5.293 12.761 1.00 0.00 H new ATOM 0 HA GLU A 123 1.953 7.867 13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.155 6.043 14.102 1.00 0.00 H new ATOM 0 HB3 GLU A 123 4.438 7.743 14.421 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.772 6.636 15.208 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.159 6.119 16.145 1.00 0.00 H new ATOM 1825 N TRP A 124 4.712 7.793 11.453 1.00 0.00 N ATOM 1826 CA TRP A 124 5.575 8.605 10.603 1.00 0.00 C ATOM 1827 C TRP A 124 4.786 9.194 9.438 1.00 0.00 C ATOM 1828 O TRP A 124 4.926 10.373 9.111 1.00 0.00 O ATOM 1829 CB TRP A 124 6.737 7.764 10.080 1.00 0.00 C ATOM 1830 CG TRP A 124 7.566 7.159 11.172 1.00 0.00 C ATOM 1831 CD1 TRP A 124 7.312 7.190 12.515 1.00 0.00 C ATOM 1832 CD2 TRP A 124 8.786 6.431 11.011 1.00 0.00 C ATOM 1833 NE1 TRP A 124 8.300 6.520 13.196 1.00 0.00 N ATOM 1834 CE2 TRP A 124 9.216 6.046 12.295 1.00 0.00 C ATOM 1835 CE3 TRP A 124 9.556 6.065 9.905 1.00 0.00 C ATOM 1836 CZ2 TRP A 124 10.382 5.312 12.501 1.00 0.00 C ATOM 1837 CZ3 TRP A 124 10.712 5.340 10.113 1.00 0.00 C ATOM 1838 CH2 TRP A 124 11.116 4.969 11.399 1.00 0.00 C ATOM 0 H TRP A 124 4.949 6.801 11.470 1.00 0.00 H new ATOM 0 HA TRP A 124 5.971 9.427 11.199 1.00 0.00 H new ATOM 0 HB2 TRP A 124 6.345 6.968 9.447 1.00 0.00 H new ATOM 0 HB3 TRP A 124 7.374 8.387 9.452 1.00 0.00 H new ATOM 0 HD1 TRP A 124 6.460 7.670 12.973 1.00 0.00 H new ATOM 0 HE1 TRP A 124 8.344 6.396 14.207 1.00 0.00 H new ATOM 0 HE3 TRP A 124 9.253 6.344 8.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 10.695 5.024 13.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.317 5.054 9.265 1.00 0.00 H new ATOM 0 HH2 TRP A 124 12.026 4.400 11.525 1.00 0.00 H new ATOM 1849 N MET A 125 3.954 8.363 8.823 1.00 0.00 N ATOM 1850 CA MET A 125 3.131 8.785 7.697 1.00 0.00 C ATOM 1851 C MET A 125 2.347 10.050 8.029 1.00 0.00 C ATOM 1852 O MET A 125 2.515 11.086 7.386 1.00 0.00 O ATOM 1853 CB MET A 125 2.165 7.667 7.315 1.00 0.00 C ATOM 1854 CG MET A 125 2.004 7.492 5.820 1.00 0.00 C ATOM 1855 SD MET A 125 0.279 7.343 5.325 1.00 0.00 S ATOM 1856 CE MET A 125 -0.252 9.032 5.561 1.00 0.00 C ATOM 0 H MET A 125 3.831 7.386 9.088 1.00 0.00 H new ATOM 0 HA MET A 125 3.791 9.003 6.858 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.517 6.730 7.747 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.190 7.874 7.756 1.00 0.00 H new ATOM 0 HG2 MET A 125 2.454 8.342 5.307 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.548 6.603 5.501 1.00 0.00 H new ATOM 0 HE1 MET A 125 -0.932 9.315 4.758 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.765 9.122 6.519 1.00 0.00 H new ATOM 0 HE3 MET A 125 0.616 9.691 5.551 1.00 0.00 H new ATOM 1866 N VAL A 126 1.488 9.955 9.037 1.00 0.00 N ATOM 1867 CA VAL A 126 0.676 11.088 9.459 1.00 0.00 C ATOM 1868 C VAL A 126 1.557 12.251 9.908 1.00 0.00 C ATOM 1869 O VAL A 126 1.150 13.411 9.843 1.00 0.00 O ATOM 1870 CB VAL A 126 -0.275 10.705 10.611 1.00 0.00 C ATOM 1871 CG1 VAL A 126 -1.319 11.791 10.826 1.00 0.00 C ATOM 1872 CG2 VAL A 126 -0.938 9.363 10.334 1.00 0.00 C ATOM 0 H VAL A 126 1.336 9.103 9.577 1.00 0.00 H new ATOM 0 HA VAL A 126 0.082 11.391 8.597 1.00 0.00 H new ATOM 0 HB VAL A 126 0.311 10.612 11.525 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -1.981 11.503 11.643 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.822 12.729 11.075 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -1.903 11.920 9.915 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.605 9.110 11.158 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.511 9.424 9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.173 8.593 10.237 1.00 0.00 H new ATOM 1882 N ALA A 127 2.765 11.929 10.363 1.00 0.00 N ATOM 1883 CA ALA A 127 3.704 12.945 10.822 1.00 0.00 C ATOM 1884 C ALA A 127 4.204 13.797 9.664 1.00 0.00 C ATOM 1885 O ALA A 127 4.036 15.015 9.660 1.00 0.00 O ATOM 1886 CB ALA A 127 4.876 12.298 11.543 1.00 0.00 C ATOM 0 H ALA A 127 3.115 10.973 10.423 1.00 0.00 H new ATOM 0 HA ALA A 127 3.177 13.597 11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 127 5.568 13.070 11.879 1.00 0.00 H new ATOM 0 HB2 ALA A 127 4.510 11.739 12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 127 5.392 11.620 10.863 1.00 0.00 H new ATOM 1892 N TYR A 128 4.809 13.148 8.675 1.00 0.00 N ATOM 1893 CA TYR A 128 5.324 13.851 7.509 1.00 0.00 C ATOM 1894 C TYR A 128 4.185 14.509 6.745 1.00 0.00 C ATOM 1895 O TYR A 128 4.324 15.623 6.241 1.00 0.00 O ATOM 1896 CB TYR A 128 6.073 12.888 6.586 1.00 0.00 C ATOM 1897 CG TYR A 128 6.825 13.576 5.467 1.00 0.00 C ATOM 1898 CD1 TYR A 128 6.154 14.101 4.369 1.00 0.00 C ATOM 1899 CD2 TYR A 128 8.208 13.696 5.509 1.00 0.00 C ATOM 1900 CE1 TYR A 128 6.842 14.725 3.345 1.00 0.00 C ATOM 1901 CE2 TYR A 128 8.902 14.319 4.488 1.00 0.00 C ATOM 1902 CZ TYR A 128 8.214 14.831 3.409 1.00 0.00 C ATOM 1903 OH TYR A 128 8.900 15.451 2.390 1.00 0.00 O ATOM 0 H TYR A 128 4.954 12.138 8.659 1.00 0.00 H new ATOM 0 HA TYR A 128 6.017 14.619 7.853 1.00 0.00 H new ATOM 0 HB2 TYR A 128 6.777 12.304 7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 128 5.361 12.185 6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 128 5.078 14.020 4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 128 8.750 13.296 6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.306 15.128 2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 128 9.978 14.404 4.536 1.00 0.00 H new ATOM 0 HH TYR A 128 9.859 15.443 2.589 1.00 0.00 H new ATOM 1913 N LEU A 129 3.055 13.810 6.661 1.00 0.00 N ATOM 1914 CA LEU A 129 1.894 14.334 5.951 1.00 0.00 C ATOM 1915 C LEU A 129 1.514 15.715 6.466 1.00 0.00 C ATOM 1916 O LEU A 129 1.344 16.648 5.688 1.00 0.00 O ATOM 1917 CB LEU A 129 0.697 13.392 6.070 1.00 0.00 C ATOM 1918 CG LEU A 129 -0.210 13.368 4.833 1.00 0.00 C ATOM 1919 CD1 LEU A 129 -0.422 11.945 4.353 1.00 0.00 C ATOM 1920 CD2 LEU A 129 -1.550 14.036 5.121 1.00 0.00 C ATOM 0 H LEU A 129 2.920 12.887 7.073 1.00 0.00 H new ATOM 0 HA LEU A 129 2.170 14.414 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.061 12.382 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.103 13.684 6.936 1.00 0.00 H new ATOM 0 HG LEU A 129 0.287 13.932 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.068 11.950 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.539 11.501 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.890 11.360 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.172 14.004 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.053 13.508 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.384 15.074 5.411 1.00 0.00 H new ATOM 1932 N GLU A 130 1.360 15.833 7.778 1.00 0.00 N ATOM 1933 CA GLU A 130 0.978 17.103 8.386 1.00 0.00 C ATOM 1934 C GLU A 130 2.173 18.045 8.506 1.00 0.00 C ATOM 1935 O GLU A 130 2.013 19.231 8.805 1.00 0.00 O ATOM 1936 CB GLU A 130 0.348 16.866 9.758 1.00 0.00 C ATOM 1937 CG GLU A 130 -1.172 16.864 9.729 1.00 0.00 C ATOM 1938 CD GLU A 130 -1.781 16.925 11.116 1.00 0.00 C ATOM 1939 OE1 GLU A 130 -1.211 16.310 12.041 1.00 0.00 O ATOM 1940 OE2 GLU A 130 -2.827 17.588 11.276 1.00 0.00 O ATOM 0 H GLU A 130 1.493 15.069 8.440 1.00 0.00 H new ATOM 0 HA GLU A 130 0.243 17.578 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.698 15.912 10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.690 17.639 10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.522 17.715 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.521 15.964 9.222 1.00 0.00 H new ATOM 1947 N THR A 131 3.370 17.507 8.290 1.00 0.00 N ATOM 1948 CA THR A 131 4.595 18.291 8.376 1.00 0.00 C ATOM 1949 C THR A 131 4.814 19.111 7.099 1.00 0.00 C ATOM 1950 O THR A 131 4.647 20.331 7.100 1.00 0.00 O ATOM 1951 CB THR A 131 5.788 17.358 8.624 1.00 0.00 C ATOM 1952 OG1 THR A 131 5.690 16.749 9.900 1.00 0.00 O ATOM 1953 CG2 THR A 131 7.132 18.051 8.558 1.00 0.00 C ATOM 0 H THR A 131 3.516 16.526 8.053 1.00 0.00 H new ATOM 0 HA THR A 131 4.504 18.988 9.209 1.00 0.00 H new ATOM 0 HB THR A 131 5.740 16.623 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.795 16.365 10.011 1.00 0.00 H new ATOM 0 HG21 THR A 131 7.925 17.326 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 131 7.266 18.491 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.174 18.836 9.313 1.00 0.00 H new ATOM 1961 N ARG A 132 5.195 18.434 6.013 1.00 0.00 N ATOM 1962 CA ARG A 132 5.451 19.110 4.733 1.00 0.00 C ATOM 1963 C ARG A 132 4.387 18.781 3.684 1.00 0.00 C ATOM 1964 O ARG A 132 4.274 19.466 2.661 1.00 0.00 O ATOM 1965 CB ARG A 132 6.822 18.716 4.183 1.00 0.00 C ATOM 1966 CG ARG A 132 7.967 18.900 5.166 1.00 0.00 C ATOM 1967 CD ARG A 132 8.277 20.369 5.422 1.00 0.00 C ATOM 1968 NE ARG A 132 9.314 20.876 4.523 1.00 0.00 N ATOM 1969 CZ ARG A 132 9.074 21.380 3.312 1.00 0.00 C ATOM 1970 NH1 ARG A 132 7.829 21.516 2.872 1.00 0.00 N ATOM 1971 NH2 ARG A 132 10.086 21.766 2.544 1.00 0.00 N ATOM 0 H ARG A 132 5.333 17.424 5.991 1.00 0.00 H new ATOM 0 HA ARG A 132 5.420 20.181 4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.789 17.672 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 132 7.026 19.308 3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 132 7.715 18.414 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 132 8.858 18.405 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 132 7.369 20.958 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 132 8.599 20.497 6.455 1.00 0.00 H new ATOM 0 HE ARG A 132 10.282 20.842 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 132 7.046 21.234 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 132 7.655 21.903 1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 132 11.045 21.677 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 132 9.905 22.152 1.617 1.00 0.00 H new ATOM 1985 N LEU A 133 3.605 17.744 3.934 1.00 0.00 N ATOM 1986 CA LEU A 133 2.555 17.348 3.008 1.00 0.00 C ATOM 1987 C LEU A 133 1.237 18.022 3.366 1.00 0.00 C ATOM 1988 O LEU A 133 0.229 17.814 2.708 1.00 0.00 O ATOM 1989 CB LEU A 133 2.383 15.829 3.049 1.00 0.00 C ATOM 1990 CG LEU A 133 2.417 15.117 1.700 1.00 0.00 C ATOM 1991 CD1 LEU A 133 3.850 14.997 1.206 1.00 0.00 C ATOM 1992 CD2 LEU A 133 1.777 13.741 1.822 1.00 0.00 C ATOM 0 H LEU A 133 3.676 17.162 4.768 1.00 0.00 H new ATOM 0 HA LEU A 133 2.841 17.659 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 133 3.169 15.411 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 133 1.433 15.603 3.533 1.00 0.00 H new ATOM 0 HG LEU A 133 1.851 15.702 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.861 14.487 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.281 15.992 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.436 14.426 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 133 1.805 13.239 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.325 13.148 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 133 0.741 13.849 2.145 1.00 0.00 H new ATOM 2004 N ALA A 134 1.250 18.819 4.428 1.00 0.00 N ATOM 2005 CA ALA A 134 0.046 19.508 4.882 1.00 0.00 C ATOM 2006 C ALA A 134 -0.360 20.609 3.918 1.00 0.00 C ATOM 2007 O ALA A 134 -1.523 21.013 3.875 1.00 0.00 O ATOM 2008 CB ALA A 134 0.250 20.081 6.279 1.00 0.00 C ATOM 0 H ALA A 134 2.080 19.005 4.991 1.00 0.00 H new ATOM 0 HA ALA A 134 -0.760 18.775 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -0.659 20.591 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.477 19.273 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 134 1.078 20.790 6.264 1.00 0.00 H new ATOM 2014 N ASP A 135 0.598 21.094 3.136 1.00 0.00 N ATOM 2015 CA ASP A 135 0.329 22.145 2.175 1.00 0.00 C ATOM 2016 C ASP A 135 -0.314 21.566 0.922 1.00 0.00 C ATOM 2017 O ASP A 135 -1.459 21.877 0.595 1.00 0.00 O ATOM 2018 CB ASP A 135 1.629 22.863 1.813 1.00 0.00 C ATOM 2019 CG ASP A 135 1.465 24.367 1.767 1.00 0.00 C ATOM 2020 OD1 ASP A 135 1.595 25.010 2.830 1.00 0.00 O ATOM 2021 OD2 ASP A 135 1.208 24.903 0.669 1.00 0.00 O ATOM 0 H ASP A 135 1.566 20.773 3.152 1.00 0.00 H new ATOM 0 HA ASP A 135 -0.362 22.860 2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.398 22.606 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.979 22.509 0.843 1.00 0.00 H new ATOM 2026 N TRP A 136 0.435 20.721 0.228 1.00 0.00 N ATOM 2027 CA TRP A 136 -0.048 20.088 -0.995 1.00 0.00 C ATOM 2028 C TRP A 136 -1.422 19.451 -0.796 1.00 0.00 C ATOM 2029 O TRP A 136 -2.212 19.344 -1.734 1.00 0.00 O ATOM 2030 CB TRP A 136 0.950 19.034 -1.445 1.00 0.00 C ATOM 2031 CG TRP A 136 2.355 19.543 -1.546 1.00 0.00 C ATOM 2032 CD1 TRP A 136 3.482 18.783 -1.617 1.00 0.00 C ATOM 2033 CD2 TRP A 136 2.791 20.913 -1.579 1.00 0.00 C ATOM 2034 NE1 TRP A 136 4.590 19.584 -1.679 1.00 0.00 N ATOM 2035 CE2 TRP A 136 4.196 20.894 -1.660 1.00 0.00 C ATOM 2036 CE3 TRP A 136 2.139 22.154 -1.547 1.00 0.00 C ATOM 2037 CZ2 TRP A 136 4.958 22.056 -1.705 1.00 0.00 C ATOM 2038 CZ3 TRP A 136 2.901 23.308 -1.593 1.00 0.00 C ATOM 2039 CH2 TRP A 136 4.297 23.252 -1.671 1.00 0.00 C ATOM 0 H TRP A 136 1.384 20.456 0.491 1.00 0.00 H new ATOM 0 HA TRP A 136 -0.148 20.858 -1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 136 0.924 18.199 -0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 136 0.643 18.645 -2.416 1.00 0.00 H new ATOM 0 HD1 TRP A 136 3.499 17.703 -1.623 1.00 0.00 H new ATOM 0 HE1 TRP A 136 5.555 19.257 -1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 136 1.062 22.208 -1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 136 6.036 22.015 -1.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 136 2.409 24.269 -1.568 1.00 0.00 H new ATOM 0 HH2 TRP A 136 4.863 24.171 -1.705 1.00 0.00 H new ATOM 2050 N ILE A 137 -1.697 19.033 0.431 1.00 0.00 N ATOM 2051 CA ILE A 137 -2.974 18.406 0.762 1.00 0.00 C ATOM 2052 C ILE A 137 -4.059 19.467 0.908 1.00 0.00 C ATOM 2053 O ILE A 137 -5.152 19.321 0.370 1.00 0.00 O ATOM 2054 CB ILE A 137 -2.872 17.558 2.060 1.00 0.00 C ATOM 2055 CG1 ILE A 137 -1.923 16.371 1.845 1.00 0.00 C ATOM 2056 CG2 ILE A 137 -4.239 17.065 2.523 1.00 0.00 C ATOM 2057 CD1 ILE A 137 -2.321 15.448 0.712 1.00 0.00 C ATOM 0 H ILE A 137 -1.053 19.116 1.218 1.00 0.00 H new ATOM 0 HA ILE A 137 -3.239 17.734 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.471 18.201 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.921 16.753 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -1.870 15.792 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -4.124 16.476 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.886 17.920 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.685 16.446 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -1.596 14.638 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -3.309 15.032 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -2.345 16.008 -0.223 1.00 0.00 H new ATOM 2069 N HIS A 138 -3.747 20.537 1.631 1.00 0.00 N ATOM 2070 CA HIS A 138 -4.703 21.621 1.832 1.00 0.00 C ATOM 2071 C HIS A 138 -5.247 22.134 0.498 1.00 0.00 C ATOM 2072 O HIS A 138 -6.429 22.455 0.385 1.00 0.00 O ATOM 2073 CB HIS A 138 -4.052 22.769 2.605 1.00 0.00 C ATOM 2074 CG HIS A 138 -4.041 22.553 4.086 1.00 0.00 C ATOM 2075 ND1 HIS A 138 -3.683 23.533 4.987 1.00 0.00 N ATOM 2076 CD2 HIS A 138 -4.348 21.461 4.825 1.00 0.00 C ATOM 2077 CE1 HIS A 138 -3.770 23.055 6.215 1.00 0.00 C ATOM 2078 NE2 HIS A 138 -4.172 21.799 6.145 1.00 0.00 N ATOM 0 H HIS A 138 -2.845 20.677 2.086 1.00 0.00 H new ATOM 0 HA HIS A 138 -5.537 21.226 2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -3.028 22.898 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -4.583 23.695 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -4.671 20.502 4.447 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -3.550 23.599 7.122 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -4.327 21.181 6.941 1.00 0.00 H new ATOM 2086 N SER A 139 -4.379 22.209 -0.507 1.00 0.00 N ATOM 2087 CA SER A 139 -4.777 22.684 -1.829 1.00 0.00 C ATOM 2088 C SER A 139 -5.903 21.828 -2.407 1.00 0.00 C ATOM 2089 O SER A 139 -7.009 22.317 -2.647 1.00 0.00 O ATOM 2090 CB SER A 139 -3.576 22.673 -2.776 1.00 0.00 C ATOM 2091 OG SER A 139 -3.084 21.357 -2.958 1.00 0.00 O ATOM 0 H SER A 139 -3.396 21.947 -0.431 1.00 0.00 H new ATOM 0 HA SER A 139 -5.144 23.705 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 139 -3.864 23.094 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.786 23.308 -2.375 1.00 0.00 H new ATOM 0 HG SER A 139 -2.863 20.967 -2.087 1.00 0.00 H new ATOM 2097 N SER A 140 -5.613 20.552 -2.629 1.00 0.00 N ATOM 2098 CA SER A 140 -6.593 19.624 -3.179 1.00 0.00 C ATOM 2099 C SER A 140 -7.546 19.113 -2.098 1.00 0.00 C ATOM 2100 O SER A 140 -8.492 18.379 -2.388 1.00 0.00 O ATOM 2101 CB SER A 140 -5.873 18.447 -3.837 1.00 0.00 C ATOM 2102 OG SER A 140 -4.889 17.904 -2.973 1.00 0.00 O ATOM 0 H SER A 140 -4.703 20.135 -2.435 1.00 0.00 H new ATOM 0 HA SER A 140 -7.185 20.156 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.596 17.675 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 140 -5.405 18.775 -4.765 1.00 0.00 H new ATOM 0 HG SER A 140 -4.444 17.152 -3.416 1.00 0.00 H new ATOM 2108 N GLY A 141 -7.286 19.493 -0.847 1.00 0.00 N ATOM 2109 CA GLY A 141 -8.119 19.060 0.259 1.00 0.00 C ATOM 2110 C GLY A 141 -7.852 17.624 0.666 1.00 0.00 C ATOM 2111 O GLY A 141 -8.081 17.246 1.817 1.00 0.00 O ATOM 0 H GLY A 141 -6.508 20.097 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.948 19.713 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.168 19.166 -0.018 1.00 0.00 H new ATOM 2115 N GLY A 142 -7.364 16.824 -0.272 1.00 0.00 N ATOM 2116 CA GLY A 142 -7.077 15.446 0.002 1.00 0.00 C ATOM 2117 C GLY A 142 -7.251 14.598 -1.232 1.00 0.00 C ATOM 2118 O GLY A 142 -6.813 14.961 -2.323 1.00 0.00 O ATOM 0 H GLY A 142 -7.162 17.118 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -6.056 15.351 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -7.736 15.084 0.791 1.00 0.00 H new ATOM 2122 N TRP A 143 -7.891 13.471 -1.049 1.00 0.00 N ATOM 2123 CA TRP A 143 -8.143 12.536 -2.130 1.00 0.00 C ATOM 2124 C TRP A 143 -9.247 13.055 -3.055 1.00 0.00 C ATOM 2125 O TRP A 143 -9.360 12.626 -4.201 1.00 0.00 O ATOM 2126 CB TRP A 143 -8.536 11.180 -1.540 1.00 0.00 C ATOM 2127 CG TRP A 143 -7.547 10.648 -0.541 1.00 0.00 C ATOM 2128 CD1 TRP A 143 -7.513 10.919 0.799 1.00 0.00 C ATOM 2129 CD2 TRP A 143 -6.455 9.751 -0.793 1.00 0.00 C ATOM 2130 NE1 TRP A 143 -6.473 10.244 1.392 1.00 0.00 N ATOM 2131 CE2 TRP A 143 -5.809 9.522 0.438 1.00 0.00 C ATOM 2132 CE3 TRP A 143 -5.959 9.118 -1.937 1.00 0.00 C ATOM 2133 CZ2 TRP A 143 -4.699 8.689 0.556 1.00 0.00 C ATOM 2134 CZ3 TRP A 143 -4.856 8.291 -1.818 1.00 0.00 C ATOM 2135 CH2 TRP A 143 -4.238 8.082 -0.579 1.00 0.00 C ATOM 0 H TRP A 143 -8.256 13.170 -0.145 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.235 12.426 -2.724 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -9.511 11.271 -1.061 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -8.645 10.459 -2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -8.203 11.569 1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -6.235 10.276 2.383 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -6.429 9.272 -2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -4.219 8.528 1.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -4.465 7.798 -2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -3.380 7.428 -0.519 1.00 0.00 H new ATOM 2146 N ALA A 144 -10.065 13.982 -2.551 1.00 0.00 N ATOM 2147 CA ALA A 144 -11.164 14.555 -3.331 1.00 0.00 C ATOM 2148 C ALA A 144 -10.743 14.863 -4.765 1.00 0.00 C ATOM 2149 O ALA A 144 -11.359 14.394 -5.725 1.00 0.00 O ATOM 2150 CB ALA A 144 -11.690 15.813 -2.655 1.00 0.00 C ATOM 0 H ALA A 144 -9.986 14.352 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 144 -11.959 13.811 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 144 -12.507 16.229 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 144 -12.053 15.565 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 144 -10.888 16.547 -2.578 1.00 0.00 H new ATOM 2156 N GLU A 145 -9.686 15.650 -4.906 1.00 0.00 N ATOM 2157 CA GLU A 145 -9.188 16.009 -6.224 1.00 0.00 C ATOM 2158 C GLU A 145 -8.797 14.762 -7.005 1.00 0.00 C ATOM 2159 O GLU A 145 -8.881 14.743 -8.227 1.00 0.00 O ATOM 2160 CB GLU A 145 -7.988 16.945 -6.108 1.00 0.00 C ATOM 2161 CG GLU A 145 -8.357 18.415 -6.222 1.00 0.00 C ATOM 2162 CD GLU A 145 -7.984 19.005 -7.568 1.00 0.00 C ATOM 2163 OE1 GLU A 145 -7.658 18.227 -8.490 1.00 0.00 O ATOM 2164 OE2 GLU A 145 -8.019 20.246 -7.702 1.00 0.00 O ATOM 0 H GLU A 145 -9.160 16.050 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 145 -9.986 16.525 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -7.495 16.775 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -7.267 16.697 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -9.429 18.530 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -7.856 18.974 -5.432 1.00 0.00 H new ATOM 2171 N PHE A 146 -8.377 13.722 -6.287 1.00 0.00 N ATOM 2172 CA PHE A 146 -7.978 12.468 -6.919 1.00 0.00 C ATOM 2173 C PHE A 146 -9.199 11.669 -7.371 1.00 0.00 C ATOM 2174 O PHE A 146 -9.291 11.271 -8.531 1.00 0.00 O ATOM 2175 CB PHE A 146 -7.122 11.624 -5.959 1.00 0.00 C ATOM 2176 CG PHE A 146 -7.635 10.217 -5.747 1.00 0.00 C ATOM 2177 CD1 PHE A 146 -7.283 9.176 -6.598 1.00 0.00 C ATOM 2178 CD2 PHE A 146 -8.479 9.946 -4.691 1.00 0.00 C ATOM 2179 CE1 PHE A 146 -7.775 7.894 -6.386 1.00 0.00 C ATOM 2180 CE2 PHE A 146 -8.968 8.678 -4.476 1.00 0.00 C ATOM 2181 CZ PHE A 146 -8.622 7.649 -5.318 1.00 0.00 C ATOM 0 H PHE A 146 -8.305 13.724 -5.270 1.00 0.00 H new ATOM 0 HA PHE A 146 -7.382 12.714 -7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -6.104 11.573 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -7.071 12.130 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -6.622 9.365 -7.431 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -8.762 10.744 -4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -7.498 7.091 -7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -9.627 8.491 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 146 -9.008 6.655 -5.148 1.00 0.00 H new ATOM 2191 N THR A 147 -10.125 11.424 -6.442 1.00 0.00 N ATOM 2192 CA THR A 147 -11.322 10.651 -6.747 1.00 0.00 C ATOM 2193 C THR A 147 -11.980 11.136 -8.030 1.00 0.00 C ATOM 2194 O THR A 147 -12.544 10.352 -8.791 1.00 0.00 O ATOM 2195 CB THR A 147 -12.326 10.695 -5.589 1.00 0.00 C ATOM 2196 OG1 THR A 147 -13.430 9.851 -5.861 1.00 0.00 O ATOM 2197 CG2 THR A 147 -12.871 12.075 -5.300 1.00 0.00 C ATOM 0 H THR A 147 -10.066 11.750 -5.477 1.00 0.00 H new ATOM 0 HA THR A 147 -11.009 9.617 -6.890 1.00 0.00 H new ATOM 0 HB THR A 147 -11.765 10.362 -4.716 1.00 0.00 H new ATOM 0 HG1 THR A 147 -14.062 9.888 -5.113 1.00 0.00 H new ATOM 0 HG21 THR A 147 -13.574 12.022 -4.468 1.00 0.00 H new ATOM 0 HG22 THR A 147 -12.050 12.743 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 147 -13.383 12.457 -6.184 1.00 0.00 H new ATOM 2205 N ALA A 148 -11.898 12.435 -8.258 1.00 0.00 N ATOM 2206 CA ALA A 148 -12.481 13.041 -9.446 1.00 0.00 C ATOM 2207 C ALA A 148 -11.479 13.084 -10.601 1.00 0.00 C ATOM 2208 O ALA A 148 -11.856 12.938 -11.765 1.00 0.00 O ATOM 2209 CB ALA A 148 -12.979 14.438 -9.119 1.00 0.00 C ATOM 0 H ALA A 148 -11.432 13.094 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 148 -13.322 12.426 -9.766 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -13.414 14.887 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -13.735 14.381 -8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -12.145 15.050 -8.775 1.00 0.00 H new ATOM 2215 N LEU A 149 -10.205 13.292 -10.273 1.00 0.00 N ATOM 2216 CA LEU A 149 -9.150 13.363 -11.287 1.00 0.00 C ATOM 2217 C LEU A 149 -9.039 12.056 -12.066 1.00 0.00 C ATOM 2218 O LEU A 149 -9.000 12.058 -13.295 1.00 0.00 O ATOM 2219 CB LEU A 149 -7.798 13.682 -10.640 1.00 0.00 C ATOM 2220 CG LEU A 149 -6.910 14.663 -11.412 1.00 0.00 C ATOM 2221 CD1 LEU A 149 -6.617 14.144 -12.812 1.00 0.00 C ATOM 2222 CD2 LEU A 149 -7.550 16.045 -11.472 1.00 0.00 C ATOM 0 H LEU A 149 -9.877 13.414 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 149 -9.419 14.161 -11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -7.979 14.089 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -7.249 12.749 -10.508 1.00 0.00 H new ATOM 0 HG LEU A 149 -5.964 14.751 -10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -5.985 14.858 -13.340 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.103 13.185 -12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -7.553 14.016 -13.356 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.900 16.723 -12.025 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -8.515 15.977 -11.974 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -7.693 16.424 -10.460 1.00 0.00 H new ATOM 2234 N TYR A 150 -8.982 10.941 -11.346 1.00 0.00 N ATOM 2235 CA TYR A 150 -8.867 9.632 -11.982 1.00 0.00 C ATOM 2236 C TYR A 150 -10.245 9.039 -12.261 1.00 0.00 C ATOM 2237 O TYR A 150 -10.441 7.827 -12.171 1.00 0.00 O ATOM 2238 CB TYR A 150 -8.035 8.683 -11.103 1.00 0.00 C ATOM 2239 CG TYR A 150 -8.820 8.010 -9.995 1.00 0.00 C ATOM 2240 CD1 TYR A 150 -9.930 8.625 -9.436 1.00 0.00 C ATOM 2241 CD2 TYR A 150 -8.453 6.759 -9.514 1.00 0.00 C ATOM 2242 CE1 TYR A 150 -10.647 8.021 -8.430 1.00 0.00 C ATOM 2243 CE2 TYR A 150 -9.171 6.147 -8.503 1.00 0.00 C ATOM 2244 CZ TYR A 150 -10.268 6.787 -7.966 1.00 0.00 C ATOM 2245 OH TYR A 150 -10.984 6.197 -6.952 1.00 0.00 O ATOM 0 H TYR A 150 -9.013 10.916 -10.327 1.00 0.00 H new ATOM 0 HA TYR A 150 -8.356 9.758 -12.937 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -7.592 7.915 -11.737 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -7.212 9.244 -10.660 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -10.237 9.596 -9.797 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -7.595 6.257 -9.936 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -11.507 8.517 -8.006 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -8.875 5.175 -8.137 1.00 0.00 H new ATOM 0 HH TYR A 150 -10.660 6.527 -6.088 1.00 0.00 H new ATOM 2255 N GLY A 151 -11.197 9.902 -12.598 1.00 0.00 N ATOM 2256 CA GLY A 151 -12.541 9.443 -12.880 1.00 0.00 C ATOM 2257 C GLY A 151 -12.582 8.458 -14.030 1.00 0.00 C ATOM 2258 O GLY A 151 -13.129 7.364 -13.900 1.00 0.00 O ATOM 0 H GLY A 151 -11.061 10.909 -12.680 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -12.957 8.975 -11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -13.173 10.299 -13.115 1.00 0.00 H new ATOM 2262 N ASP A 152 -11.997 8.845 -15.159 1.00 0.00 N ATOM 2263 CA ASP A 152 -11.968 7.984 -16.335 1.00 0.00 C ATOM 2264 C ASP A 152 -10.667 8.163 -17.111 1.00 0.00 C ATOM 2265 O ASP A 152 -10.142 9.272 -17.218 1.00 0.00 O ATOM 2266 CB ASP A 152 -13.161 8.282 -17.243 1.00 0.00 C ATOM 2267 CG ASP A 152 -13.710 7.033 -17.903 1.00 0.00 C ATOM 2268 OD1 ASP A 152 -12.992 6.436 -18.733 1.00 0.00 O ATOM 2269 OD2 ASP A 152 -14.857 6.650 -17.589 1.00 0.00 O ATOM 0 H ASP A 152 -11.538 9.747 -15.284 1.00 0.00 H new ATOM 0 HA ASP A 152 -12.028 6.950 -15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -13.949 8.757 -16.659 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.860 8.994 -18.012 1.00 0.00 H new ATOM 2274 N GLY A 153 -10.153 7.064 -17.652 1.00 0.00 N ATOM 2275 CA GLY A 153 -8.919 7.118 -18.413 1.00 0.00 C ATOM 2276 C GLY A 153 -8.182 5.795 -18.418 1.00 0.00 C ATOM 2277 O GLY A 153 -8.265 5.025 -17.461 1.00 0.00 O ATOM 0 H GLY A 153 -10.569 6.136 -17.577 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.141 7.410 -19.439 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.272 7.889 -17.995 1.00 0.00 H new ATOM 2281 N ALA A 154 -7.455 5.529 -19.501 1.00 0.00 N ATOM 2282 CA ALA A 154 -6.698 4.292 -19.630 1.00 0.00 C ATOM 2283 C ALA A 154 -5.863 4.036 -18.383 1.00 0.00 C ATOM 2284 O ALA A 154 -5.158 4.918 -17.896 1.00 0.00 O ATOM 2285 CB ALA A 154 -5.815 4.336 -20.867 1.00 0.00 C ATOM 0 H ALA A 154 -7.376 6.156 -20.301 1.00 0.00 H new ATOM 0 HA ALA A 154 -7.404 3.469 -19.739 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -5.256 3.404 -20.948 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -6.436 4.465 -21.753 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -5.119 5.171 -20.787 1.00 0.00 H new ATOM 2291 N LEU A 155 -5.960 2.823 -17.870 1.00 0.00 N ATOM 2292 CA LEU A 155 -5.227 2.438 -16.673 1.00 0.00 C ATOM 2293 C LEU A 155 -3.725 2.421 -16.938 1.00 0.00 C ATOM 2294 O LEU A 155 -2.937 2.914 -16.130 1.00 0.00 O ATOM 2295 CB LEU A 155 -5.694 1.068 -16.194 1.00 0.00 C ATOM 2296 CG LEU A 155 -7.203 0.822 -16.289 1.00 0.00 C ATOM 2297 CD1 LEU A 155 -7.474 -0.663 -16.377 1.00 0.00 C ATOM 2298 CD2 LEU A 155 -7.930 1.429 -15.097 1.00 0.00 C ATOM 0 H LEU A 155 -6.541 2.083 -18.264 1.00 0.00 H new ATOM 0 HA LEU A 155 -5.427 3.174 -15.895 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -5.180 0.303 -16.776 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -5.386 0.939 -15.156 1.00 0.00 H new ATOM 0 HG LEU A 155 -7.579 1.306 -17.190 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -8.548 -0.833 -16.444 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -6.986 -1.070 -17.262 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -7.083 -1.157 -15.488 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -9.000 1.240 -15.189 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -7.560 0.978 -14.177 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -7.752 2.504 -15.071 1.00 0.00 H new ATOM 2310 N GLU A 156 -3.336 1.860 -18.078 1.00 0.00 N ATOM 2311 CA GLU A 156 -1.928 1.788 -18.456 1.00 0.00 C ATOM 2312 C GLU A 156 -1.265 3.162 -18.358 1.00 0.00 C ATOM 2313 O GLU A 156 -0.046 3.265 -18.212 1.00 0.00 O ATOM 2314 CB GLU A 156 -1.792 1.237 -19.878 1.00 0.00 C ATOM 2315 CG GLU A 156 -2.652 1.966 -20.898 1.00 0.00 C ATOM 2316 CD GLU A 156 -1.832 2.795 -21.867 1.00 0.00 C ATOM 2317 OE1 GLU A 156 -1.273 2.212 -22.820 1.00 0.00 O ATOM 2318 OE2 GLU A 156 -1.749 4.026 -21.674 1.00 0.00 O ATOM 0 H GLU A 156 -3.976 1.448 -18.757 1.00 0.00 H new ATOM 0 HA GLU A 156 -1.422 1.115 -17.763 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -0.748 1.299 -20.185 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.061 0.181 -19.877 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -3.242 1.239 -21.456 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.356 2.614 -20.377 1.00 0.00 H new ATOM 2325 N GLU A 157 -2.076 4.215 -18.438 1.00 0.00 N ATOM 2326 CA GLU A 157 -1.574 5.582 -18.357 1.00 0.00 C ATOM 2327 C GLU A 157 -0.924 5.851 -17.005 1.00 0.00 C ATOM 2328 O GLU A 157 0.297 5.979 -16.906 1.00 0.00 O ATOM 2329 CB GLU A 157 -2.712 6.578 -18.593 1.00 0.00 C ATOM 2330 CG GLU A 157 -2.388 7.629 -19.639 1.00 0.00 C ATOM 2331 CD GLU A 157 -2.150 7.024 -21.007 1.00 0.00 C ATOM 2332 OE1 GLU A 157 -3.140 6.771 -21.725 1.00 0.00 O ATOM 2333 OE2 GLU A 157 -0.973 6.799 -21.359 1.00 0.00 O ATOM 0 H GLU A 157 -3.086 4.146 -18.559 1.00 0.00 H new ATOM 0 HA GLU A 157 -0.818 5.708 -19.132 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -3.604 6.032 -18.901 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -2.951 7.074 -17.652 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.208 8.344 -19.698 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -1.502 8.184 -19.331 1.00 0.00 H new ATOM 2340 N ALA A 158 -1.748 5.940 -15.963 1.00 0.00 N ATOM 2341 CA ALA A 158 -1.254 6.198 -14.616 1.00 0.00 C ATOM 2342 C ALA A 158 -0.118 5.247 -14.261 1.00 0.00 C ATOM 2343 O ALA A 158 0.859 5.636 -13.623 1.00 0.00 O ATOM 2344 CB ALA A 158 -2.384 6.076 -13.609 1.00 0.00 C ATOM 0 H ALA A 158 -2.761 5.837 -16.028 1.00 0.00 H new ATOM 0 HA ALA A 158 -0.865 7.216 -14.584 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -2.001 6.271 -12.607 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.163 6.800 -13.847 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -2.800 5.069 -13.649 1.00 0.00 H new ATOM 2350 N ARG A 159 -0.256 3.995 -14.687 1.00 0.00 N ATOM 2351 CA ARG A 159 0.755 2.979 -14.426 1.00 0.00 C ATOM 2352 C ARG A 159 2.133 3.443 -14.889 1.00 0.00 C ATOM 2353 O ARG A 159 2.977 3.831 -14.081 1.00 0.00 O ATOM 2354 CB ARG A 159 0.402 1.678 -15.149 1.00 0.00 C ATOM 2355 CG ARG A 159 1.491 0.635 -15.052 1.00 0.00 C ATOM 2356 CD ARG A 159 2.096 0.329 -16.401 1.00 0.00 C ATOM 2357 NE ARG A 159 1.955 -1.077 -16.738 1.00 0.00 N ATOM 2358 CZ ARG A 159 2.412 -1.610 -17.857 1.00 0.00 C ATOM 2359 NH1 ARG A 159 3.023 -0.845 -18.746 1.00 0.00 N ATOM 2360 NH2 ARG A 159 2.251 -2.903 -18.089 1.00 0.00 N ATOM 0 H ARG A 159 -1.061 3.660 -15.216 1.00 0.00 H new ATOM 0 HA ARG A 159 0.779 2.809 -13.350 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -0.519 1.274 -14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 159 0.206 1.894 -16.199 1.00 0.00 H new ATOM 0 HG2 ARG A 159 2.270 0.985 -14.375 1.00 0.00 H new ATOM 0 HG3 ARG A 159 1.082 -0.279 -14.621 1.00 0.00 H new ATOM 0 HD2 ARG A 159 1.613 0.938 -17.165 1.00 0.00 H new ATOM 0 HD3 ARG A 159 3.152 0.600 -16.398 1.00 0.00 H new ATOM 0 HE ARG A 159 1.477 -1.686 -16.074 1.00 0.00 H new ATOM 0 HH11 ARG A 159 3.140 0.152 -18.566 1.00 0.00 H new ATOM 0 HH12 ARG A 159 3.378 -1.252 -19.611 1.00 0.00 H new ATOM 0 HH21 ARG A 159 1.774 -3.489 -17.404 1.00 0.00 H new ATOM 0 HH22 ARG A 159 2.604 -3.314 -18.953 1.00 0.00 H new ATOM 2374 N ARG A 160 2.348 3.371 -16.203 1.00 0.00 N ATOM 2375 CA ARG A 160 3.607 3.753 -16.821 1.00 0.00 C ATOM 2376 C ARG A 160 4.165 5.018 -16.191 1.00 0.00 C ATOM 2377 O ARG A 160 5.377 5.205 -16.103 1.00 0.00 O ATOM 2378 CB ARG A 160 3.395 3.948 -18.323 1.00 0.00 C ATOM 2379 CG ARG A 160 3.416 2.652 -19.121 1.00 0.00 C ATOM 2380 CD ARG A 160 4.722 1.892 -18.936 1.00 0.00 C ATOM 2381 NE ARG A 160 5.830 2.533 -19.631 1.00 0.00 N ATOM 2382 CZ ARG A 160 6.007 2.465 -20.947 1.00 0.00 C ATOM 2383 NH1 ARG A 160 5.136 1.811 -21.705 1.00 0.00 N ATOM 2384 NH2 ARG A 160 7.053 3.057 -21.506 1.00 0.00 N ATOM 0 H ARG A 160 1.647 3.044 -16.867 1.00 0.00 H new ATOM 0 HA ARG A 160 4.334 2.958 -16.659 1.00 0.00 H new ATOM 0 HB2 ARG A 160 2.439 4.447 -18.484 1.00 0.00 H new ATOM 0 HB3 ARG A 160 4.170 4.612 -18.706 1.00 0.00 H new ATOM 0 HG2 ARG A 160 2.582 2.022 -18.812 1.00 0.00 H new ATOM 0 HG3 ARG A 160 3.272 2.874 -20.178 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.953 1.822 -17.873 1.00 0.00 H new ATOM 0 HD3 ARG A 160 4.604 0.873 -19.305 1.00 0.00 H new ATOM 0 HE ARG A 160 6.506 3.062 -19.079 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.328 1.358 -21.278 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.275 1.761 -22.714 1.00 0.00 H new ATOM 0 HH21 ARG A 160 7.722 3.564 -20.927 1.00 0.00 H new ATOM 0 HH22 ARG A 160 7.189 3.005 -22.516 1.00 0.00 H new ATOM 2398 N LEU A 161 3.266 5.872 -15.739 1.00 0.00 N ATOM 2399 CA LEU A 161 3.653 7.113 -15.097 1.00 0.00 C ATOM 2400 C LEU A 161 4.185 6.842 -13.694 1.00 0.00 C ATOM 2401 O LEU A 161 5.257 7.319 -13.322 1.00 0.00 O ATOM 2402 CB LEU A 161 2.457 8.060 -15.032 1.00 0.00 C ATOM 2403 CG LEU A 161 2.810 9.538 -14.883 1.00 0.00 C ATOM 2404 CD1 LEU A 161 3.476 9.794 -13.541 1.00 0.00 C ATOM 2405 CD2 LEU A 161 3.713 9.981 -16.024 1.00 0.00 C ATOM 0 H LEU A 161 2.258 5.727 -15.805 1.00 0.00 H new ATOM 0 HA LEU A 161 4.444 7.580 -15.684 1.00 0.00 H new ATOM 0 HB2 LEU A 161 1.863 7.933 -15.937 1.00 0.00 H new ATOM 0 HB3 LEU A 161 1.826 7.767 -14.193 1.00 0.00 H new ATOM 0 HG LEU A 161 1.890 10.122 -14.923 1.00 0.00 H new ATOM 0 HD11 LEU A 161 3.721 10.852 -13.452 1.00 0.00 H new ATOM 0 HD12 LEU A 161 2.796 9.510 -12.737 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.389 9.203 -13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 161 3.957 11.037 -15.906 1.00 0.00 H new ATOM 0 HD22 LEU A 161 4.630 9.393 -16.011 1.00 0.00 H new ATOM 0 HD23 LEU A 161 3.199 9.832 -16.974 1.00 0.00 H new ATOM 2417 N ARG A 162 3.428 6.069 -12.918 1.00 0.00 N ATOM 2418 CA ARG A 162 3.825 5.738 -11.553 1.00 0.00 C ATOM 2419 C ARG A 162 5.168 5.015 -11.530 1.00 0.00 C ATOM 2420 O ARG A 162 6.106 5.454 -10.863 1.00 0.00 O ATOM 2421 CB ARG A 162 2.751 4.886 -10.870 1.00 0.00 C ATOM 2422 CG ARG A 162 1.942 5.662 -9.846 1.00 0.00 C ATOM 2423 CD ARG A 162 0.571 6.041 -10.381 1.00 0.00 C ATOM 2424 NE ARG A 162 0.647 7.006 -11.475 1.00 0.00 N ATOM 2425 CZ ARG A 162 -0.396 7.715 -11.903 1.00 0.00 C ATOM 2426 NH1 ARG A 162 -1.592 7.530 -11.361 1.00 0.00 N ATOM 2427 NH2 ARG A 162 -0.247 8.613 -12.868 1.00 0.00 N ATOM 0 H ARG A 162 2.540 5.662 -13.211 1.00 0.00 H new ATOM 0 HA ARG A 162 3.933 6.672 -11.002 1.00 0.00 H new ATOM 0 HB2 ARG A 162 2.078 4.483 -11.627 1.00 0.00 H new ATOM 0 HB3 ARG A 162 3.226 4.035 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 162 1.827 5.062 -8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 162 2.484 6.564 -9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 162 0.058 5.143 -10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -0.029 6.459 -9.572 1.00 0.00 H new ATOM 0 HE ARG A 162 1.547 7.144 -11.936 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -1.714 6.844 -10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.390 8.073 -11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 162 0.671 8.764 -13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -1.050 9.153 -13.191 1.00 0.00 H new ATOM 2441 N GLU A 163 5.257 3.909 -12.259 1.00 0.00 N ATOM 2442 CA GLU A 163 6.487 3.130 -12.323 1.00 0.00 C ATOM 2443 C GLU A 163 7.531 3.835 -13.177 1.00 0.00 C ATOM 2444 O GLU A 163 8.714 3.497 -13.132 1.00 0.00 O ATOM 2445 CB GLU A 163 6.188 1.747 -12.885 1.00 0.00 C ATOM 2446 CG GLU A 163 7.401 0.846 -13.032 1.00 0.00 C ATOM 2447 CD GLU A 163 7.087 -0.594 -12.676 1.00 0.00 C ATOM 2448 OE1 GLU A 163 7.197 -0.948 -11.484 1.00 0.00 O ATOM 2449 OE2 GLU A 163 6.723 -1.365 -13.589 1.00 0.00 O ATOM 0 H GLU A 163 4.490 3.531 -12.815 1.00 0.00 H new ATOM 0 HA GLU A 163 6.890 3.028 -11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 163 5.463 1.255 -12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 163 5.716 1.861 -13.861 1.00 0.00 H new ATOM 0 HG2 GLU A 163 7.766 0.894 -14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 163 8.203 1.211 -12.391 1.00 0.00 H new ATOM 2456 N GLY A 164 7.093 4.827 -13.945 1.00 0.00 N ATOM 2457 CA GLY A 164 8.013 5.565 -14.778 1.00 0.00 C ATOM 2458 C GLY A 164 8.984 6.375 -13.948 1.00 0.00 C ATOM 2459 O GLY A 164 10.188 6.141 -13.989 1.00 0.00 O ATOM 0 H GLY A 164 6.121 5.129 -14.003 1.00 0.00 H new ATOM 0 HA2 GLY A 164 8.565 4.873 -15.414 1.00 0.00 H new ATOM 0 HA3 GLY A 164 7.455 6.229 -15.439 1.00 0.00 H new ATOM 2463 N ASN A 165 8.450 7.326 -13.187 1.00 0.00 N ATOM 2464 CA ASN A 165 9.269 8.180 -12.333 1.00 0.00 C ATOM 2465 C ASN A 165 9.903 7.382 -11.190 1.00 0.00 C ATOM 2466 O ASN A 165 11.078 7.570 -10.874 1.00 0.00 O ATOM 2467 CB ASN A 165 8.426 9.335 -11.779 1.00 0.00 C ATOM 2468 CG ASN A 165 7.069 8.880 -11.279 1.00 0.00 C ATOM 2469 OD1 ASN A 165 6.974 8.039 -10.393 1.00 0.00 O ATOM 2470 ND2 ASN A 165 6.008 9.434 -11.851 1.00 0.00 N ATOM 0 H ASN A 165 7.450 7.525 -13.145 1.00 0.00 H new ATOM 0 HA ASN A 165 10.077 8.590 -12.939 1.00 0.00 H new ATOM 0 HB2 ASN A 165 8.967 9.816 -10.964 1.00 0.00 H new ATOM 0 HB3 ASN A 165 8.289 10.086 -12.557 1.00 0.00 H new ATOM 0 HD21 ASN A 165 5.070 9.163 -11.556 1.00 0.00 H new ATOM 0 HD22 ASN A 165 6.130 10.131 -12.586 1.00 0.00 H new ATOM 2477 N TRP A 166 9.127 6.489 -10.576 1.00 0.00 N ATOM 2478 CA TRP A 166 9.631 5.669 -9.477 1.00 0.00 C ATOM 2479 C TRP A 166 10.779 4.783 -9.948 1.00 0.00 C ATOM 2480 O TRP A 166 11.914 4.924 -9.496 1.00 0.00 O ATOM 2481 CB TRP A 166 8.517 4.794 -8.895 1.00 0.00 C ATOM 2482 CG TRP A 166 7.721 5.474 -7.824 1.00 0.00 C ATOM 2483 CD1 TRP A 166 7.096 6.680 -7.912 1.00 0.00 C ATOM 2484 CD2 TRP A 166 7.460 4.984 -6.504 1.00 0.00 C ATOM 2485 NE1 TRP A 166 6.468 6.979 -6.732 1.00 0.00 N ATOM 2486 CE2 TRP A 166 6.673 5.951 -5.851 1.00 0.00 C ATOM 2487 CE3 TRP A 166 7.814 3.823 -5.811 1.00 0.00 C ATOM 2488 CZ2 TRP A 166 6.236 5.793 -4.540 1.00 0.00 C ATOM 2489 CZ3 TRP A 166 7.378 3.668 -4.508 1.00 0.00 C ATOM 2490 CH2 TRP A 166 6.597 4.648 -3.886 1.00 0.00 C ATOM 0 H TRP A 166 8.152 6.316 -10.820 1.00 0.00 H new ATOM 0 HA TRP A 166 9.995 6.342 -8.701 1.00 0.00 H new ATOM 0 HB2 TRP A 166 7.846 4.492 -9.699 1.00 0.00 H new ATOM 0 HB3 TRP A 166 8.956 3.884 -8.487 1.00 0.00 H new ATOM 0 HD1 TRP A 166 7.095 7.312 -8.788 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.935 7.828 -6.541 1.00 0.00 H new ATOM 0 HE3 TRP A 166 8.416 3.062 -6.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.633 6.547 -4.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.645 2.776 -3.961 1.00 0.00 H new ATOM 0 HH2 TRP A 166 6.272 4.497 -2.867 1.00 0.00 H new ATOM 2501 N ALA A 167 10.472 3.864 -10.861 1.00 0.00 N ATOM 2502 CA ALA A 167 11.478 2.953 -11.393 1.00 0.00 C ATOM 2503 C ALA A 167 12.627 3.714 -12.044 1.00 0.00 C ATOM 2504 O ALA A 167 13.722 3.175 -12.202 1.00 0.00 O ATOM 2505 CB ALA A 167 10.853 1.984 -12.384 1.00 0.00 C ATOM 0 H ALA A 167 9.537 3.732 -11.246 1.00 0.00 H new ATOM 0 HA ALA A 167 11.884 2.383 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 167 11.620 1.313 -12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 167 10.079 1.402 -11.884 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.411 2.542 -13.209 1.00 0.00 H new ATOM 2511 N SER A 168 12.385 4.973 -12.410 1.00 0.00 N ATOM 2512 CA SER A 168 13.422 5.795 -13.033 1.00 0.00 C ATOM 2513 C SER A 168 14.479 6.220 -12.015 1.00 0.00 C ATOM 2514 O SER A 168 15.210 7.184 -12.240 1.00 0.00 O ATOM 2515 CB SER A 168 12.814 7.040 -13.684 1.00 0.00 C ATOM 2516 OG SER A 168 12.765 6.907 -15.095 1.00 0.00 O ATOM 0 H SER A 168 11.488 5.443 -12.287 1.00 0.00 H new ATOM 0 HA SER A 168 13.899 5.186 -13.801 1.00 0.00 H new ATOM 0 HB2 SER A 168 11.808 7.203 -13.296 1.00 0.00 H new ATOM 0 HB3 SER A 168 13.404 7.917 -13.419 1.00 0.00 H new ATOM 0 HG SER A 168 11.883 6.573 -15.362 1.00 0.00 H new ATOM 2522 N VAL A 169 14.560 5.501 -10.896 1.00 0.00 N ATOM 2523 CA VAL A 169 15.531 5.816 -9.860 1.00 0.00 C ATOM 2524 C VAL A 169 16.958 5.581 -10.351 1.00 0.00 C ATOM 2525 O VAL A 169 17.919 6.031 -9.727 1.00 0.00 O ATOM 2526 CB VAL A 169 15.277 4.974 -8.596 1.00 0.00 C ATOM 2527 CG1 VAL A 169 15.385 3.491 -8.914 1.00 0.00 C ATOM 2528 CG2 VAL A 169 16.240 5.363 -7.482 1.00 0.00 C ATOM 0 H VAL A 169 13.965 4.699 -10.688 1.00 0.00 H new ATOM 0 HA VAL A 169 15.414 6.872 -9.615 1.00 0.00 H new ATOM 0 HB VAL A 169 14.264 5.176 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 169 15.203 2.911 -8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.646 3.226 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.384 3.271 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 169 16.041 4.755 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 169 17.265 5.197 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 169 16.104 6.416 -7.235 1.00 0.00 H new