USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot 2:sc= 0.86 USER MOD Set 1.2: A 104 LYS NZ :NH3+ 163:sc= 2.27 (180deg=0.628) USER MOD Set 2.1: A 89 SER OG : rot 81:sc= 1.25 USER MOD Set 2.2: A 93 ASN : amide:sc= -0.0935 K(o=1.2,f=-0.77!) USER MOD Set 3.1: A 63 LYS NZ :NH3+ -156:sc= 1.78 (180deg=-1.22!) USER MOD Set 3.2: A 73 SER OG : rot -111:sc= 1.81 USER MOD Set 4.1: A 45 ASN : amide:sc= -4.95! C(o=-4.4!,f=-5.5!) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.538 X(o=-4.4,f=-4.6) USER MOD Set 5.1: A 28 THR OG1 : rot 155:sc= 1.06 USER MOD Set 5.2: A 38 ASN : amide:sc= 1.14 K(o=2.2,f=0.68) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -0.0243 (180deg=-0.215) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 13 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.35) USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= 0.869 (180deg=-0.46) USER MOD Single : A 18 CYS SG : rot 133:sc= -1.35! USER MOD Single : A 20 SER OG : rot 91:sc= 1.33 USER MOD Single : A 41 THR OG1 : rot -48:sc= 1.17 USER MOD Single : A 42 SER OG : rot -103:sc= -0.437! USER MOD Single : A 47 GLN :FLIP amide:sc= -0.823 F(o=-2!,f=-0.82) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.0762 F(o=-0.77,f=-0.076) USER MOD Single : A 57 SER OG : rot 72:sc= 0.506 USER MOD Single : A 60 MET CE :methyl 142:sc= -2.96! (180deg=-5.96!) USER MOD Single : A 61 SER OG : rot 71:sc= 1.34 USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= 0.936 (180deg=-1.81) USER MOD Single : A 66 TYR OH : rot 121:sc= -1.02 USER MOD Single : A 79 TYR OH : rot -76:sc= 0.905 USER MOD Single : A 83 THR OG1 : rot 89:sc= 0.998 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 88 SER OG : rot -154:sc= 1.09 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.7!) USER MOD Single : A 101 GLN : amide:sc= -0.476 K(o=-0.48,f=-2.2!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 71:sc= 0.811 USER MOD Single : A 112 SER OG : rot 26:sc= 1.91 USER MOD Single : A 115 TYR OH : rot 31:sc= 0.647 USER MOD Single : A 117 SER OG : rot 83:sc= 0.465 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -9.449 -15.931 -3.015 1.00 0.00 N ATOM 92 CA LYS A 7 -8.043 -15.537 -2.835 1.00 0.00 C ATOM 93 C LYS A 7 -7.571 -14.639 -3.997 1.00 0.00 C ATOM 94 O LYS A 7 -6.713 -13.762 -3.811 1.00 0.00 O ATOM 95 CB LYS A 7 -7.134 -16.776 -2.673 1.00 0.00 C ATOM 96 CG LYS A 7 -7.699 -17.866 -1.731 1.00 0.00 C ATOM 97 CD LYS A 7 -8.209 -19.091 -2.512 1.00 0.00 C ATOM 98 CE LYS A 7 -8.993 -20.077 -1.616 1.00 0.00 C ATOM 99 NZ LYS A 7 -10.199 -19.463 -0.987 1.00 0.00 N ATOM 0 HA LYS A 7 -7.970 -14.956 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.962 -17.216 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.164 -16.453 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.924 -18.178 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.513 -17.448 -1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.850 -18.757 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.363 -19.609 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.299 -20.936 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.333 -20.451 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.807 -20.212 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.904 -18.825 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.727 -18.924 -1.702 1.00 0.00 H new ATOM 113 N ARG A 8 -8.182 -14.823 -5.183 1.00 0.00 N ATOM 114 CA ARG A 8 -7.909 -13.976 -6.344 1.00 0.00 C ATOM 115 C ARG A 8 -8.341 -12.526 -6.061 1.00 0.00 C ATOM 116 O ARG A 8 -7.613 -11.572 -6.380 1.00 0.00 O ATOM 117 CB ARG A 8 -8.621 -14.515 -7.587 1.00 0.00 C ATOM 118 CG ARG A 8 -10.113 -14.655 -7.422 1.00 0.00 C ATOM 119 CD ARG A 8 -10.651 -15.883 -8.131 1.00 0.00 C ATOM 120 NE ARG A 8 -11.905 -15.604 -8.854 1.00 0.00 N ATOM 121 CZ ARG A 8 -11.994 -15.285 -10.171 1.00 0.00 C ATOM 122 NH1 ARG A 8 -10.891 -15.189 -10.921 1.00 0.00 N ATOM 123 NH2 ARG A 8 -13.188 -15.077 -10.718 1.00 0.00 N ATOM 0 H ARG A 8 -8.870 -15.556 -5.355 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.836 -13.988 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.419 -13.850 -8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.200 -15.488 -7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.356 -14.713 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.606 -13.765 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.903 -16.252 -8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.822 -16.675 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.774 -15.655 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.975 -15.356 -10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.966 -14.949 -11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.031 -15.157 -10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.261 -14.837 -11.707 1.00 0.00 H new ATOM 137 N HIS A 9 -9.500 -12.376 -5.381 1.00 0.00 N ATOM 138 CA HIS A 9 -9.999 -11.063 -4.967 1.00 0.00 C ATOM 139 C HIS A 9 -9.007 -10.429 -4.024 1.00 0.00 C ATOM 140 O HIS A 9 -8.668 -9.268 -4.184 1.00 0.00 O ATOM 141 CB HIS A 9 -11.361 -11.168 -4.261 1.00 0.00 C ATOM 142 CG HIS A 9 -12.534 -11.291 -5.180 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.577 -10.392 -5.183 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.845 -12.226 -6.116 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.479 -10.768 -6.073 1.00 0.00 C ATOM 146 NE2 HIS A 9 -14.058 -11.879 -6.656 1.00 0.00 N ATOM 0 H HIS A 9 -10.101 -13.154 -5.111 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.125 -10.455 -5.863 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.345 -12.032 -3.597 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.499 -10.287 -3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.247 -13.084 -6.385 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.404 -10.255 -6.288 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.553 -12.392 -7.386 1.00 0.00 H new ATOM 155 N ASP A 10 -8.526 -11.216 -3.041 1.00 0.00 N ATOM 156 CA ASP A 10 -7.534 -10.738 -2.062 1.00 0.00 C ATOM 157 C ASP A 10 -6.389 -10.041 -2.767 1.00 0.00 C ATOM 158 O ASP A 10 -6.071 -8.892 -2.469 1.00 0.00 O ATOM 159 CB ASP A 10 -6.974 -11.895 -1.223 1.00 0.00 C ATOM 160 CG ASP A 10 -7.974 -12.478 -0.302 1.00 0.00 C ATOM 161 OD1 ASP A 10 -8.847 -13.196 -0.759 1.00 0.00 O ATOM 162 OD2 ASP A 10 -7.873 -12.250 0.908 1.00 0.00 O ATOM 0 H ASP A 10 -8.810 -12.186 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.042 -10.037 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.604 -12.674 -1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.121 -11.538 -0.646 1.00 0.00 H new ATOM 167 N VAL A 11 -5.772 -10.743 -3.715 1.00 0.00 N ATOM 168 CA VAL A 11 -4.671 -10.171 -4.485 1.00 0.00 C ATOM 169 C VAL A 11 -5.139 -8.878 -5.179 1.00 0.00 C ATOM 170 O VAL A 11 -4.524 -7.811 -5.010 1.00 0.00 O ATOM 171 CB VAL A 11 -4.096 -11.174 -5.544 1.00 0.00 C ATOM 172 CG1 VAL A 11 -2.742 -10.705 -6.048 1.00 0.00 C ATOM 173 CG2 VAL A 11 -3.979 -12.591 -4.972 1.00 0.00 C ATOM 0 H VAL A 11 -6.014 -11.701 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.865 -9.947 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.796 -11.202 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.361 -11.415 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.846 -9.724 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.046 -10.638 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.577 -13.259 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.312 -12.581 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.964 -12.942 -4.665 1.00 0.00 H new ATOM 183 N ALA A 12 -6.264 -8.971 -5.908 1.00 0.00 N ATOM 184 CA ALA A 12 -6.849 -7.807 -6.587 1.00 0.00 C ATOM 185 C ALA A 12 -7.079 -6.654 -5.608 1.00 0.00 C ATOM 186 O ALA A 12 -6.690 -5.513 -5.889 1.00 0.00 O ATOM 187 CB ALA A 12 -8.161 -8.177 -7.280 1.00 0.00 C ATOM 0 H ALA A 12 -6.784 -9.839 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.137 -7.479 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.572 -7.297 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.975 -8.955 -8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.873 -8.543 -6.540 1.00 0.00 H new ATOM 193 N GLN A 13 -7.695 -6.953 -4.457 1.00 0.00 N ATOM 194 CA GLN A 13 -7.960 -5.941 -3.447 1.00 0.00 C ATOM 195 C GLN A 13 -6.667 -5.381 -2.874 1.00 0.00 C ATOM 196 O GLN A 13 -6.554 -4.180 -2.706 1.00 0.00 O ATOM 197 CB GLN A 13 -8.911 -6.449 -2.344 1.00 0.00 C ATOM 198 CG GLN A 13 -8.295 -7.374 -1.323 1.00 0.00 C ATOM 199 CD GLN A 13 -8.834 -7.122 0.073 1.00 0.00 C ATOM 200 OE1 GLN A 13 -8.258 -6.355 0.843 1.00 0.00 O ATOM 201 NE2 GLN A 13 -9.950 -7.743 0.404 1.00 0.00 N ATOM 0 H GLN A 13 -8.016 -7.889 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.479 -5.121 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.326 -5.587 -1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.745 -6.966 -2.819 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.491 -8.408 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.213 -7.244 -1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.400 -8.372 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.363 -7.594 1.325 1.00 0.00 H new ATOM 210 N LEU A 14 -5.656 -6.250 -2.661 1.00 0.00 N ATOM 211 CA LEU A 14 -4.338 -5.789 -2.200 1.00 0.00 C ATOM 212 C LEU A 14 -3.845 -4.706 -3.156 1.00 0.00 C ATOM 213 O LEU A 14 -3.487 -3.593 -2.731 1.00 0.00 O ATOM 214 CB LEU A 14 -3.324 -6.961 -2.148 1.00 0.00 C ATOM 215 CG LEU A 14 -2.093 -6.818 -1.205 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.975 -5.427 -0.601 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.133 -7.862 -0.108 1.00 0.00 C ATOM 0 H LEU A 14 -5.729 -7.258 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.428 -5.388 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.867 -7.860 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.953 -7.127 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.209 -6.978 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.100 -5.385 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.871 -4.692 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.869 -5.206 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.264 -7.744 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.042 -7.737 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.122 -8.857 -0.552 1.00 0.00 H new ATOM 229 N LYS A 15 -3.920 -5.016 -4.460 1.00 0.00 N ATOM 230 CA LYS A 15 -3.573 -4.065 -5.508 1.00 0.00 C ATOM 231 C LYS A 15 -4.443 -2.815 -5.379 1.00 0.00 C ATOM 232 O LYS A 15 -3.932 -1.723 -5.121 1.00 0.00 O ATOM 233 CB LYS A 15 -3.760 -4.709 -6.900 1.00 0.00 C ATOM 234 CG LYS A 15 -3.333 -3.831 -8.072 1.00 0.00 C ATOM 235 CD LYS A 15 -3.409 -4.593 -9.398 1.00 0.00 C ATOM 236 CE LYS A 15 -4.464 -4.011 -10.351 1.00 0.00 C ATOM 237 NZ LYS A 15 -5.747 -3.673 -9.670 1.00 0.00 N ATOM 0 H LYS A 15 -4.221 -5.927 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.526 -3.781 -5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.192 -5.639 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.810 -4.973 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.972 -2.950 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.314 -3.478 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.433 -4.570 -9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.641 -5.639 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.063 -3.114 -10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.661 -4.729 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.543 -3.876 -10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.842 -4.244 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.752 -2.663 -9.420 1.00 0.00 H new ATOM 251 N PHE A 16 -5.766 -2.995 -5.537 1.00 0.00 N ATOM 252 CA PHE A 16 -6.729 -1.887 -5.438 1.00 0.00 C ATOM 253 C PHE A 16 -6.498 -1.039 -4.186 1.00 0.00 C ATOM 254 O PHE A 16 -6.531 0.194 -4.261 1.00 0.00 O ATOM 255 CB PHE A 16 -8.180 -2.402 -5.493 1.00 0.00 C ATOM 256 CG PHE A 16 -8.587 -2.935 -6.850 1.00 0.00 C ATOM 257 CD1 PHE A 16 -8.474 -2.144 -7.980 1.00 0.00 C ATOM 258 CD2 PHE A 16 -9.076 -4.224 -6.992 1.00 0.00 C ATOM 259 CE1 PHE A 16 -8.838 -2.619 -9.223 1.00 0.00 C ATOM 260 CE2 PHE A 16 -9.442 -4.709 -8.236 1.00 0.00 C ATOM 261 CZ PHE A 16 -9.323 -3.905 -9.354 1.00 0.00 C ATOM 0 H PHE A 16 -6.192 -3.900 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.564 -1.243 -6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.304 -3.191 -4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.854 -1.592 -5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.094 -1.137 -7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.173 -4.857 -6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.744 -1.986 -10.093 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.821 -5.716 -8.333 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.608 -4.281 -10.325 1.00 0.00 H new ATOM 271 N LEU A 17 -6.233 -1.686 -3.049 1.00 0.00 N ATOM 272 CA LEU A 17 -5.940 -0.973 -1.799 1.00 0.00 C ATOM 273 C LEU A 17 -4.743 -0.046 -2.006 1.00 0.00 C ATOM 274 O LEU A 17 -4.833 1.171 -1.772 1.00 0.00 O ATOM 275 CB LEU A 17 -5.644 -1.962 -0.645 1.00 0.00 C ATOM 276 CG LEU A 17 -6.766 -2.189 0.389 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.178 -0.888 1.066 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.970 -2.870 -0.246 1.00 0.00 C ATOM 0 H LEU A 17 -6.215 -2.702 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.817 -0.387 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.387 -2.926 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.761 -1.608 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.367 -2.851 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.970 -1.088 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.319 -0.458 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.540 -0.186 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.744 -3.017 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.359 -2.245 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.670 -3.837 -0.651 1.00 0.00 H new ATOM 290 N CYS A 18 -3.637 -0.619 -2.504 1.00 0.00 N ATOM 291 CA CYS A 18 -2.426 0.153 -2.800 1.00 0.00 C ATOM 292 C CYS A 18 -2.710 1.233 -3.847 1.00 0.00 C ATOM 293 O CYS A 18 -2.391 2.404 -3.628 1.00 0.00 O ATOM 294 CB CYS A 18 -1.289 -0.762 -3.272 1.00 0.00 C ATOM 295 SG CYS A 18 -0.763 -1.978 -2.043 1.00 0.00 S ATOM 0 H CYS A 18 -3.559 -1.615 -2.709 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.111 0.641 -1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.609 -1.286 -4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.433 -0.147 -3.548 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.661 -3.146 -2.604 1.00 0.00 H new ATOM 301 N GLU A 19 -3.338 0.840 -4.967 1.00 0.00 N ATOM 302 CA GLU A 19 -3.702 1.785 -6.042 1.00 0.00 C ATOM 303 C GLU A 19 -4.509 2.960 -5.478 1.00 0.00 C ATOM 304 O GLU A 19 -4.198 4.132 -5.758 1.00 0.00 O ATOM 305 CB GLU A 19 -4.503 1.075 -7.151 1.00 0.00 C ATOM 306 CG GLU A 19 -3.798 -0.135 -7.751 1.00 0.00 C ATOM 307 CD GLU A 19 -4.315 -0.495 -9.097 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.365 -1.164 -9.166 1.00 0.00 O ATOM 309 OE2 GLU A 19 -3.687 -0.122 -10.087 1.00 0.00 O ATOM 0 H GLU A 19 -3.606 -0.126 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.779 2.170 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.463 0.758 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.714 1.790 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.730 0.070 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.916 -0.987 -7.082 1.00 0.00 H new ATOM 316 N SER A 20 -5.517 2.639 -4.657 1.00 0.00 N ATOM 317 CA SER A 20 -6.348 3.653 -4.010 1.00 0.00 C ATOM 318 C SER A 20 -5.514 4.498 -3.052 1.00 0.00 C ATOM 319 O SER A 20 -5.503 5.727 -3.156 1.00 0.00 O ATOM 320 CB SER A 20 -7.531 3.004 -3.267 1.00 0.00 C ATOM 321 OG SER A 20 -8.216 2.057 -4.104 1.00 0.00 O ATOM 0 H SER A 20 -5.775 1.679 -4.427 1.00 0.00 H new ATOM 0 HA SER A 20 -6.751 4.304 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.169 2.504 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.228 3.777 -2.943 1.00 0.00 H new ATOM 0 HG SER A 20 -7.827 1.167 -3.977 1.00 0.00 H new ATOM 327 N LEU A 21 -4.777 3.834 -2.143 1.00 0.00 N ATOM 328 CA LEU A 21 -3.910 4.545 -1.194 1.00 0.00 C ATOM 329 C LEU A 21 -2.956 5.473 -1.921 1.00 0.00 C ATOM 330 O LEU A 21 -2.780 6.622 -1.515 1.00 0.00 O ATOM 331 CB LEU A 21 -3.135 3.578 -0.294 1.00 0.00 C ATOM 332 CG LEU A 21 -2.214 4.235 0.747 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.565 3.780 2.144 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.756 3.939 0.438 1.00 0.00 C ATOM 0 H LEU A 21 -4.766 2.818 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.558 5.144 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.851 2.944 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.533 2.925 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.364 5.313 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.899 4.259 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.596 4.054 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.454 2.698 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.122 4.413 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.592 2.861 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.507 4.330 -0.549 1.00 0.00 H new ATOM 346 N TYR A 22 -2.353 4.978 -3.000 1.00 0.00 N ATOM 347 CA TYR A 22 -1.447 5.780 -3.811 1.00 0.00 C ATOM 348 C TYR A 22 -2.138 7.084 -4.232 1.00 0.00 C ATOM 349 O TYR A 22 -1.570 8.166 -4.083 1.00 0.00 O ATOM 350 CB TYR A 22 -0.997 4.981 -5.056 1.00 0.00 C ATOM 351 CG TYR A 22 -0.026 5.701 -5.977 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.024 6.455 -5.473 1.00 0.00 C ATOM 353 CD2 TYR A 22 -0.156 5.607 -7.355 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.907 7.094 -6.310 1.00 0.00 C ATOM 355 CE2 TYR A 22 0.728 6.237 -8.198 1.00 0.00 C ATOM 356 CZ TYR A 22 1.755 6.981 -7.671 1.00 0.00 C ATOM 357 OH TYR A 22 2.661 7.588 -8.513 1.00 0.00 O ATOM 0 H TYR A 22 -2.478 4.022 -3.332 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.564 6.026 -3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.534 4.052 -4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.882 4.708 -5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.150 6.541 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.966 5.028 -7.773 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.716 7.681 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.616 6.147 -9.268 1.00 0.00 H new ATOM 0 HH TYR A 22 3.357 8.028 -7.982 1.00 0.00 H new ATOM 367 N ASP A 23 -3.403 6.976 -4.671 1.00 0.00 N ATOM 368 CA ASP A 23 -4.193 8.158 -5.069 1.00 0.00 C ATOM 369 C ASP A 23 -4.479 9.045 -3.872 1.00 0.00 C ATOM 370 O ASP A 23 -4.157 10.241 -3.894 1.00 0.00 O ATOM 371 CB ASP A 23 -5.508 7.752 -5.752 1.00 0.00 C ATOM 372 CG ASP A 23 -6.382 8.929 -6.097 1.00 0.00 C ATOM 373 OD1 ASP A 23 -5.951 9.801 -6.851 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.517 8.956 -5.652 1.00 0.00 O ATOM 0 H ASP A 23 -3.900 6.090 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.597 8.720 -5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.281 7.196 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.059 7.078 -5.096 1.00 0.00 H new ATOM 379 N GLU A 24 -5.050 8.453 -2.812 1.00 0.00 N ATOM 380 CA GLU A 24 -5.334 9.194 -1.568 1.00 0.00 C ATOM 381 C GLU A 24 -4.071 9.919 -1.108 1.00 0.00 C ATOM 382 O GLU A 24 -4.089 11.126 -0.822 1.00 0.00 O ATOM 383 CB GLU A 24 -5.798 8.246 -0.442 1.00 0.00 C ATOM 384 CG GLU A 24 -6.931 7.300 -0.811 1.00 0.00 C ATOM 385 CD GLU A 24 -8.267 7.887 -0.536 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.652 7.961 0.629 1.00 0.00 O ATOM 387 OE2 GLU A 24 -8.945 8.285 -1.477 1.00 0.00 O ATOM 0 H GLU A 24 -5.323 7.471 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.132 9.907 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.944 7.653 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.113 8.848 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.859 7.045 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.823 6.371 -0.251 1.00 0.00 H new ATOM 394 N GLY A 25 -2.969 9.166 -1.054 1.00 0.00 N ATOM 395 CA GLY A 25 -1.707 9.709 -0.646 1.00 0.00 C ATOM 396 C GLY A 25 -1.256 10.811 -1.541 1.00 0.00 C ATOM 397 O GLY A 25 -1.086 11.920 -1.078 1.00 0.00 O ATOM 0 H GLY A 25 -2.944 8.175 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.786 10.081 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.957 8.918 -0.640 1.00 0.00 H new ATOM 401 N ILE A 26 -1.119 10.536 -2.844 1.00 0.00 N ATOM 402 CA ILE A 26 -0.727 11.575 -3.804 1.00 0.00 C ATOM 403 C ILE A 26 -1.655 12.794 -3.666 1.00 0.00 C ATOM 404 O ILE A 26 -1.188 13.944 -3.671 1.00 0.00 O ATOM 405 CB ILE A 26 -0.736 11.051 -5.283 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.262 9.889 -5.450 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.419 12.170 -6.277 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.706 10.319 -5.621 1.00 0.00 C ATOM 0 H ILE A 26 -1.272 9.615 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 26 0.297 11.866 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.741 10.688 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.191 9.238 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.032 9.296 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.434 11.771 -7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.165 12.959 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.569 12.578 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.337 9.437 -5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.797 10.944 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.023 10.885 -4.745 1.00 0.00 H new ATOM 420 N ALA A 27 -2.960 12.537 -3.475 1.00 0.00 N ATOM 421 CA ALA A 27 -3.940 13.605 -3.274 1.00 0.00 C ATOM 422 C ALA A 27 -3.512 14.525 -2.139 1.00 0.00 C ATOM 423 O ALA A 27 -3.459 15.744 -2.317 1.00 0.00 O ATOM 424 CB ALA A 27 -5.336 13.035 -2.990 1.00 0.00 C ATOM 0 H ALA A 27 -3.356 11.597 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.988 14.183 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.041 13.854 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.658 12.424 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.302 12.422 -2.089 1.00 0.00 H new ATOM 430 N THR A 28 -3.197 13.943 -0.982 1.00 0.00 N ATOM 431 CA THR A 28 -2.788 14.740 0.173 1.00 0.00 C ATOM 432 C THR A 28 -1.268 15.098 0.153 1.00 0.00 C ATOM 433 O THR A 28 -0.889 16.226 0.486 1.00 0.00 O ATOM 434 CB THR A 28 -3.245 14.066 1.504 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.790 14.755 2.654 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.836 12.631 1.640 1.00 0.00 C ATOM 0 H THR A 28 -3.217 12.936 -0.821 1.00 0.00 H new ATOM 0 HA THR A 28 -3.302 15.699 0.109 1.00 0.00 H new ATOM 0 HB THR A 28 -4.332 14.114 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.390 14.568 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.193 12.240 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.268 12.051 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.749 12.557 1.602 1.00 0.00 H new ATOM 444 N LEU A 29 -0.416 14.148 -0.232 1.00 0.00 N ATOM 445 CA LEU A 29 1.044 14.351 -0.263 1.00 0.00 C ATOM 446 C LEU A 29 1.507 15.289 -1.386 1.00 0.00 C ATOM 447 O LEU A 29 2.611 15.842 -1.303 1.00 0.00 O ATOM 448 CB LEU A 29 1.777 13.009 -0.390 1.00 0.00 C ATOM 449 CG LEU A 29 1.618 12.042 0.786 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.003 10.630 0.382 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.442 12.495 1.978 1.00 0.00 C ATOM 0 H LEU A 29 -0.710 13.218 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 29 1.296 14.829 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.427 12.511 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.839 13.210 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 29 0.568 12.042 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.882 9.962 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.362 10.297 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.043 10.616 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.311 11.791 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.495 12.535 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.112 13.485 2.293 1.00 0.00 H new ATOM 576 N ASN A 38 0.988 18.747 6.833 1.00 0.00 N ATOM 577 CA ASN A 38 -0.047 17.755 6.639 1.00 0.00 C ATOM 578 C ASN A 38 -0.448 17.244 7.999 1.00 0.00 C ATOM 579 O ASN A 38 0.343 16.614 8.706 1.00 0.00 O ATOM 580 CB ASN A 38 0.447 16.597 5.758 1.00 0.00 C ATOM 581 CG ASN A 38 -0.530 16.275 4.645 1.00 0.00 C ATOM 582 OD1 ASN A 38 -0.840 17.140 3.811 1.00 0.00 O ATOM 583 ND2 ASN A 38 -1.036 15.054 4.621 1.00 0.00 N ATOM 0 HA ASN A 38 -0.898 18.204 6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.415 16.856 5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.599 15.711 6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.707 14.794 3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.755 14.372 5.325 1.00 0.00 H new ATOM 590 N ASP A 39 -1.631 17.630 8.416 1.00 0.00 N ATOM 591 CA ASP A 39 -2.108 17.328 9.754 1.00 0.00 C ATOM 592 C ASP A 39 -2.385 15.840 9.935 1.00 0.00 C ATOM 593 O ASP A 39 -3.174 15.271 9.180 1.00 0.00 O ATOM 594 CB ASP A 39 -3.362 18.135 10.057 1.00 0.00 C ATOM 595 CG ASP A 39 -3.831 17.935 11.440 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.128 18.310 12.373 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.909 17.407 11.598 1.00 0.00 O ATOM 0 H ASP A 39 -2.290 18.159 7.845 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.321 17.604 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.160 19.193 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.152 17.850 9.362 1.00 0.00 H new ATOM 602 N PRO A 40 -1.785 15.197 10.968 1.00 0.00 N ATOM 603 CA PRO A 40 -2.001 13.766 11.257 1.00 0.00 C ATOM 604 C PRO A 40 -3.471 13.416 11.532 1.00 0.00 C ATOM 605 O PRO A 40 -3.876 12.258 11.373 1.00 0.00 O ATOM 606 CB PRO A 40 -1.151 13.505 12.513 1.00 0.00 C ATOM 607 CG PRO A 40 -0.878 14.851 13.096 1.00 0.00 C ATOM 608 CD PRO A 40 -0.868 15.812 11.944 1.00 0.00 C ATOM 0 HA PRO A 40 -1.724 13.152 10.400 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.683 12.871 13.222 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.224 12.992 12.260 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.643 15.123 13.823 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.078 14.862 13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.210 16.802 12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.134 15.932 11.532 1.00 0.00 H new ATOM 616 N THR A 41 -4.265 14.400 11.965 1.00 0.00 N ATOM 617 CA THR A 41 -5.669 14.147 12.270 1.00 0.00 C ATOM 618 C THR A 41 -6.596 14.481 11.092 1.00 0.00 C ATOM 619 O THR A 41 -7.802 14.196 11.153 1.00 0.00 O ATOM 620 CB THR A 41 -6.093 14.873 13.569 1.00 0.00 C ATOM 621 OG1 THR A 41 -6.224 16.291 13.398 1.00 0.00 O ATOM 622 CG2 THR A 41 -5.129 14.650 14.704 1.00 0.00 C ATOM 0 H THR A 41 -3.962 15.363 12.109 1.00 0.00 H new ATOM 0 HA THR A 41 -5.775 13.076 12.440 1.00 0.00 H new ATOM 0 HB THR A 41 -7.062 14.436 13.810 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.435 16.639 12.933 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.478 15.183 15.588 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.066 13.584 14.924 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.143 15.021 14.422 1.00 0.00 H new ATOM 630 N SER A 42 -6.049 15.094 10.021 1.00 0.00 N ATOM 631 CA SER A 42 -6.839 15.424 8.859 1.00 0.00 C ATOM 632 C SER A 42 -7.548 14.165 8.346 1.00 0.00 C ATOM 633 O SER A 42 -6.965 13.065 8.374 1.00 0.00 O ATOM 634 CB SER A 42 -5.952 16.048 7.772 1.00 0.00 C ATOM 635 OG SER A 42 -4.873 15.194 7.398 1.00 0.00 O ATOM 0 H SER A 42 -5.067 15.361 9.955 1.00 0.00 H new ATOM 0 HA SER A 42 -7.596 16.159 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.559 16.269 6.894 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.554 16.997 8.131 1.00 0.00 H new ATOM 0 HG SER A 42 -4.045 15.510 7.817 1.00 0.00 H new ATOM 641 N ALA A 43 -8.818 14.307 7.936 1.00 0.00 N ATOM 642 CA ALA A 43 -9.617 13.155 7.487 1.00 0.00 C ATOM 643 C ALA A 43 -8.824 12.228 6.580 1.00 0.00 C ATOM 644 O ALA A 43 -8.785 11.017 6.814 1.00 0.00 O ATOM 645 CB ALA A 43 -10.921 13.584 6.821 1.00 0.00 C ATOM 0 H ALA A 43 -9.311 15.200 7.906 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.876 12.595 8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.477 12.701 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.520 14.156 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.699 14.202 5.951 1.00 0.00 H new ATOM 651 N VAL A 44 -8.232 12.773 5.520 1.00 0.00 N ATOM 652 CA VAL A 44 -7.450 11.953 4.565 1.00 0.00 C ATOM 653 C VAL A 44 -6.345 11.186 5.310 1.00 0.00 C ATOM 654 O VAL A 44 -6.222 9.968 5.157 1.00 0.00 O ATOM 655 CB VAL A 44 -6.826 12.804 3.390 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.154 14.076 3.895 1.00 0.00 C ATOM 657 CG2 VAL A 44 -5.841 11.980 2.570 1.00 0.00 C ATOM 0 H VAL A 44 -8.271 13.766 5.292 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.145 11.249 4.108 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.655 13.098 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.740 14.628 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.888 14.696 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.353 13.814 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.430 12.595 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.032 11.634 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.355 11.121 2.139 1.00 0.00 H new ATOM 667 N ASN A 45 -5.590 11.899 6.165 1.00 0.00 N ATOM 668 CA ASN A 45 -4.542 11.272 6.987 1.00 0.00 C ATOM 669 C ASN A 45 -5.116 10.090 7.764 1.00 0.00 C ATOM 670 O ASN A 45 -4.498 9.022 7.835 1.00 0.00 O ATOM 671 CB ASN A 45 -3.921 12.287 7.969 1.00 0.00 C ATOM 672 CG ASN A 45 -2.490 11.939 8.360 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.204 10.821 8.757 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.582 12.899 8.249 1.00 0.00 N ATOM 0 H ASN A 45 -5.686 12.905 6.304 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.759 10.918 6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.937 13.278 7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.535 12.337 8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.611 12.714 8.499 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.855 13.823 7.914 1.00 0.00 H new ATOM 681 N LEU A 46 -6.352 10.243 8.262 1.00 0.00 N ATOM 682 CA LEU A 46 -7.030 9.160 8.955 1.00 0.00 C ATOM 683 C LEU A 46 -7.403 8.078 7.961 1.00 0.00 C ATOM 684 O LEU A 46 -7.117 6.905 8.187 1.00 0.00 O ATOM 685 CB LEU A 46 -8.273 9.668 9.698 1.00 0.00 C ATOM 686 CG LEU A 46 -8.059 10.904 10.591 1.00 0.00 C ATOM 687 CD1 LEU A 46 -9.384 11.520 11.009 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.203 10.562 11.809 1.00 0.00 C ATOM 0 H LEU A 46 -6.893 11.105 8.194 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.352 8.744 9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.042 9.903 8.963 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.660 8.858 10.317 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.521 11.647 10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.198 12.390 11.638 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.939 11.826 10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.966 10.787 11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.069 11.454 12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.699 9.790 12.397 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.230 10.198 11.479 1.00 0.00 H new ATOM 700 N GLN A 47 -7.965 8.497 6.812 1.00 0.00 N ATOM 701 CA GLN A 47 -8.307 7.585 5.735 1.00 0.00 C ATOM 702 C GLN A 47 -7.132 6.685 5.389 1.00 0.00 C ATOM 703 O GLN A 47 -7.248 5.451 5.404 1.00 0.00 O ATOM 704 CB GLN A 47 -8.753 8.354 4.502 1.00 0.00 C ATOM 705 CG GLN A 47 -10.232 8.473 4.450 1.00 0.00 C ATOM 706 CD GLN A 47 -10.626 9.738 3.864 1.00 0.00 C ATOM 707 OE1 GLN A 47 -10.381 10.739 4.594 1.00 0.00 O flip ATOM 708 NE2 GLN A 47 -11.163 9.815 2.763 1.00 0.00 N flip ATOM 0 H GLN A 47 -8.189 9.473 6.617 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.132 6.960 6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.305 9.348 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.394 7.849 3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.647 7.652 3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.644 8.389 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.335 8.969 2.219 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.437 10.725 2.392 1.00 0.00 H new ATOM 717 N LEU A 48 -5.988 7.317 5.110 1.00 0.00 N ATOM 718 CA LEU A 48 -4.746 6.601 4.789 1.00 0.00 C ATOM 719 C LEU A 48 -4.279 5.790 5.988 1.00 0.00 C ATOM 720 O LEU A 48 -3.885 4.644 5.835 1.00 0.00 O ATOM 721 CB LEU A 48 -3.649 7.580 4.366 1.00 0.00 C ATOM 722 CG LEU A 48 -4.024 8.533 3.226 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.566 9.946 3.522 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.452 8.049 1.909 1.00 0.00 C ATOM 0 H LEU A 48 -5.895 8.333 5.100 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.949 5.925 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.361 8.174 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.771 7.008 4.065 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.111 8.543 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.846 10.600 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.039 10.297 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.483 9.959 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.731 8.741 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.366 7.998 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.847 7.059 1.683 1.00 0.00 H new ATOM 736 N ASN A 49 -4.356 6.380 7.194 1.00 0.00 N ATOM 737 CA ASN A 49 -3.986 5.653 8.434 1.00 0.00 C ATOM 738 C ASN A 49 -4.780 4.359 8.513 1.00 0.00 C ATOM 739 O ASN A 49 -4.217 3.285 8.808 1.00 0.00 O ATOM 740 CB ASN A 49 -4.246 6.496 9.696 1.00 0.00 C ATOM 741 CG ASN A 49 -2.992 7.172 10.226 1.00 0.00 C ATOM 742 OD1 ASN A 49 -2.249 6.592 11.025 1.00 0.00 O ATOM 743 ND2 ASN A 49 -2.737 8.384 9.786 1.00 0.00 N ATOM 0 H ASN A 49 -4.665 7.341 7.342 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.917 5.442 8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.995 7.256 9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.664 5.857 10.474 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.903 8.877 10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.373 8.832 9.126 1.00 0.00 H new ATOM 750 N ASP A 50 -6.083 4.449 8.189 1.00 0.00 N ATOM 751 CA ASP A 50 -6.948 3.275 8.126 1.00 0.00 C ATOM 752 C ASP A 50 -6.439 2.361 7.043 1.00 0.00 C ATOM 753 O ASP A 50 -6.109 1.214 7.314 1.00 0.00 O ATOM 754 CB ASP A 50 -8.397 3.666 7.810 1.00 0.00 C ATOM 755 CG ASP A 50 -9.281 2.472 7.616 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.689 1.875 8.612 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.573 2.131 6.464 1.00 0.00 O ATOM 0 H ASP A 50 -6.553 5.327 7.968 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.932 2.778 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.791 4.278 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.417 4.280 6.909 1.00 0.00 H new ATOM 762 N LEU A 51 -6.348 2.908 5.817 1.00 0.00 N ATOM 763 CA LEU A 51 -5.830 2.201 4.643 1.00 0.00 C ATOM 764 C LEU A 51 -4.602 1.383 5.012 1.00 0.00 C ATOM 765 O LEU A 51 -4.579 0.163 4.849 1.00 0.00 O ATOM 766 CB LEU A 51 -5.420 3.216 3.572 1.00 0.00 C ATOM 767 CG LEU A 51 -6.511 3.657 2.620 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.508 5.157 2.438 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.312 3.014 1.307 1.00 0.00 C ATOM 0 H LEU A 51 -6.637 3.865 5.617 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.613 1.542 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.022 4.100 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.606 2.787 2.987 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.469 3.360 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.303 5.441 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.672 5.641 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.547 5.472 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.098 3.333 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.341 3.303 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.349 1.931 1.423 1.00 0.00 H new ATOM 781 N ILE A 52 -3.586 2.089 5.509 1.00 0.00 N ATOM 782 CA ILE A 52 -2.314 1.503 5.920 1.00 0.00 C ATOM 783 C ILE A 52 -2.539 0.218 6.734 1.00 0.00 C ATOM 784 O ILE A 52 -2.151 -0.874 6.303 1.00 0.00 O ATOM 785 CB ILE A 52 -1.456 2.542 6.734 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.024 3.702 5.836 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.226 1.911 7.382 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.557 4.912 6.603 1.00 0.00 C ATOM 0 H ILE A 52 -3.626 3.100 5.639 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.758 1.238 5.021 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.096 2.913 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.221 3.365 5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.859 3.987 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.328 2.673 7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.540 1.126 8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.413 1.483 6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.266 5.696 5.904 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.365 5.274 7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.298 4.642 7.222 1.00 0.00 H new ATOM 800 N GLU A 53 -3.185 0.346 7.890 1.00 0.00 N ATOM 801 CA GLU A 53 -3.457 -0.817 8.738 1.00 0.00 C ATOM 802 C GLU A 53 -4.440 -1.774 8.088 1.00 0.00 C ATOM 803 O GLU A 53 -4.239 -2.987 8.128 1.00 0.00 O ATOM 804 CB GLU A 53 -3.939 -0.388 10.101 1.00 0.00 C ATOM 805 CG GLU A 53 -2.913 0.422 10.839 1.00 0.00 C ATOM 806 CD GLU A 53 -2.998 0.247 12.306 1.00 0.00 C ATOM 807 OE1 GLU A 53 -3.926 0.765 12.907 1.00 0.00 O ATOM 808 OE2 GLU A 53 -2.149 -0.422 12.860 1.00 0.00 O ATOM 0 H GLU A 53 -3.528 1.232 8.260 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.518 -1.356 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.852 0.197 9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.193 -1.270 10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.917 0.136 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.043 1.476 10.594 1.00 0.00 H new ATOM 815 N HIS A 54 -5.460 -1.223 7.439 1.00 0.00 N ATOM 816 CA HIS A 54 -6.453 -2.014 6.696 1.00 0.00 C ATOM 817 C HIS A 54 -5.724 -3.013 5.799 1.00 0.00 C ATOM 818 O HIS A 54 -6.008 -4.222 5.828 1.00 0.00 O ATOM 819 CB HIS A 54 -7.340 -1.078 5.848 1.00 0.00 C ATOM 820 CG HIS A 54 -8.415 -1.762 5.072 1.00 0.00 C ATOM 821 ND1 HIS A 54 -8.351 -2.529 3.956 1.00 0.00 N flip ATOM 822 CD2 HIS A 54 -9.752 -1.675 5.402 1.00 0.00 C flip ATOM 823 CE1 HIS A 54 -9.633 -2.885 3.632 1.00 0.00 C flip ATOM 824 NE2 HIS A 54 -10.461 -2.359 4.516 1.00 0.00 N flip ATOM 0 H HIS A 54 -5.628 -0.217 7.409 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.091 -2.556 7.394 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.800 -0.342 6.507 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.704 -0.530 5.153 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.156 -1.136 6.246 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.920 -3.497 2.790 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.476 -2.462 4.517 1.00 0.00 H new ATOM 833 N ILE A 55 -4.731 -2.507 5.063 1.00 0.00 N ATOM 834 CA ILE A 55 -3.888 -3.334 4.221 1.00 0.00 C ATOM 835 C ILE A 55 -2.932 -4.173 5.094 1.00 0.00 C ATOM 836 O ILE A 55 -2.772 -5.363 4.859 1.00 0.00 O ATOM 837 CB ILE A 55 -3.060 -2.467 3.217 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.967 -1.514 2.434 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.283 -3.342 2.248 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.236 -0.334 1.836 1.00 0.00 C ATOM 0 H ILE A 55 -4.496 -1.515 5.040 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.535 -3.996 3.646 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.354 -1.879 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.458 -2.069 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.751 -1.147 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.717 -2.712 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.597 -3.980 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.977 -3.963 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.943 0.297 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.767 0.245 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.470 -0.691 1.148 1.00 0.00 H new ATOM 852 N ALA A 56 -2.323 -3.540 6.116 1.00 0.00 N ATOM 853 CA ALA A 56 -1.383 -4.228 7.032 1.00 0.00 C ATOM 854 C ALA A 56 -2.008 -5.496 7.608 1.00 0.00 C ATOM 855 O ALA A 56 -1.537 -6.612 7.350 1.00 0.00 O ATOM 856 CB ALA A 56 -0.937 -3.285 8.168 1.00 0.00 C ATOM 0 H ALA A 56 -2.463 -2.553 6.331 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.504 -4.514 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.247 -3.811 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.439 -2.414 7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.809 -2.963 8.737 1.00 0.00 H new ATOM 862 N SER A 57 -3.104 -5.320 8.334 1.00 0.00 N ATOM 863 CA SER A 57 -3.853 -6.431 8.920 1.00 0.00 C ATOM 864 C SER A 57 -4.297 -7.431 7.836 1.00 0.00 C ATOM 865 O SER A 57 -4.315 -8.640 8.073 1.00 0.00 O ATOM 866 CB SER A 57 -5.055 -5.897 9.705 1.00 0.00 C ATOM 867 OG SER A 57 -4.756 -4.627 10.311 1.00 0.00 O ATOM 0 H SER A 57 -3.502 -4.403 8.535 1.00 0.00 H new ATOM 0 HA SER A 57 -3.200 -6.966 9.610 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.911 -5.793 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.337 -6.614 10.476 1.00 0.00 H new ATOM 0 HG SER A 57 -4.712 -3.936 9.618 1.00 0.00 H new ATOM 873 N PHE A 58 -4.593 -6.927 6.633 1.00 0.00 N ATOM 874 CA PHE A 58 -4.947 -7.791 5.508 1.00 0.00 C ATOM 875 C PHE A 58 -3.722 -8.627 5.087 1.00 0.00 C ATOM 876 O PHE A 58 -3.813 -9.869 4.955 1.00 0.00 O ATOM 877 CB PHE A 58 -5.458 -6.951 4.322 1.00 0.00 C ATOM 878 CG PHE A 58 -5.820 -7.761 3.117 1.00 0.00 C ATOM 879 CD1 PHE A 58 -6.721 -8.802 3.216 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.254 -7.485 1.886 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.049 -9.549 2.118 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.582 -8.235 0.781 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.480 -9.267 0.899 1.00 0.00 C ATOM 0 H PHE A 58 -4.594 -5.930 6.417 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.746 -8.464 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.332 -6.383 4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.691 -6.228 4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.172 -9.029 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.548 -6.673 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.755 -10.361 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.135 -8.013 -0.177 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.740 -9.858 0.033 1.00 0.00 H new ATOM 893 N VAL A 59 -2.572 -7.947 4.929 1.00 0.00 N ATOM 894 CA VAL A 59 -1.302 -8.586 4.571 1.00 0.00 C ATOM 895 C VAL A 59 -0.991 -9.737 5.528 1.00 0.00 C ATOM 896 O VAL A 59 -0.557 -10.805 5.079 1.00 0.00 O ATOM 897 CB VAL A 59 -0.119 -7.559 4.551 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.223 -8.243 4.305 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.355 -6.493 3.488 1.00 0.00 C ATOM 0 H VAL A 59 -2.502 -6.936 5.047 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.411 -8.984 3.562 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.083 -7.089 5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.016 -7.496 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.413 -8.967 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.199 -8.755 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.477 -5.788 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.429 -6.966 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.281 -5.961 3.705 1.00 0.00 H new ATOM 909 N MET A 60 -1.247 -9.533 6.843 1.00 0.00 N ATOM 910 CA MET A 60 -1.036 -10.597 7.844 1.00 0.00 C ATOM 911 C MET A 60 -1.623 -11.914 7.331 1.00 0.00 C ATOM 912 O MET A 60 -0.929 -12.932 7.282 1.00 0.00 O ATOM 913 CB MET A 60 -1.689 -10.242 9.196 1.00 0.00 C ATOM 914 CG MET A 60 -0.766 -9.589 10.190 1.00 0.00 C ATOM 915 SD MET A 60 -1.569 -8.283 11.138 1.00 0.00 S ATOM 916 CE MET A 60 -0.874 -6.824 10.376 1.00 0.00 C ATOM 0 H MET A 60 -1.594 -8.654 7.227 1.00 0.00 H new ATOM 0 HA MET A 60 0.038 -10.699 7.999 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.532 -9.576 9.013 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.092 -11.153 9.639 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.383 -10.346 10.875 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.093 -9.173 9.663 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.639 -6.050 10.307 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.042 -6.460 10.979 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.516 -7.071 9.376 1.00 0.00 H new ATOM 926 N SER A 61 -2.894 -11.864 6.910 1.00 0.00 N ATOM 927 CA SER A 61 -3.585 -13.017 6.356 1.00 0.00 C ATOM 928 C SER A 61 -3.002 -13.398 4.983 1.00 0.00 C ATOM 929 O SER A 61 -2.780 -14.575 4.698 1.00 0.00 O ATOM 930 CB SER A 61 -5.100 -12.727 6.232 1.00 0.00 C ATOM 931 OG SER A 61 -5.416 -11.326 6.417 1.00 0.00 O ATOM 0 H SER A 61 -3.465 -11.019 6.947 1.00 0.00 H new ATOM 0 HA SER A 61 -3.441 -13.858 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.448 -13.048 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.641 -13.318 6.971 1.00 0.00 H new ATOM 0 HG SER A 61 -5.101 -10.815 5.642 1.00 0.00 H new ATOM 937 N PHE A 62 -2.759 -12.385 4.137 1.00 0.00 N ATOM 938 CA PHE A 62 -2.216 -12.589 2.779 1.00 0.00 C ATOM 939 C PHE A 62 -1.068 -13.614 2.751 1.00 0.00 C ATOM 940 O PHE A 62 -1.171 -14.654 2.075 1.00 0.00 O ATOM 941 CB PHE A 62 -1.752 -11.256 2.178 1.00 0.00 C ATOM 942 CG PHE A 62 -1.975 -11.158 0.705 1.00 0.00 C ATOM 943 CD1 PHE A 62 -3.251 -10.972 0.191 1.00 0.00 C ATOM 944 CD2 PHE A 62 -0.913 -11.252 -0.172 1.00 0.00 C ATOM 945 CE1 PHE A 62 -3.451 -10.885 -1.168 1.00 0.00 C ATOM 946 CE2 PHE A 62 -1.108 -11.165 -1.526 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.378 -10.982 -2.030 1.00 0.00 C ATOM 0 H PHE A 62 -2.931 -11.407 4.370 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.026 -12.995 2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.279 -10.440 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.691 -11.122 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.093 -10.895 0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.085 -11.396 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.447 -10.741 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.266 -11.240 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.533 -10.915 -3.097 1.00 0.00 H new ATOM 957 N LYS A 63 0.007 -13.332 3.499 1.00 0.00 N ATOM 958 CA LYS A 63 1.174 -14.242 3.546 1.00 0.00 C ATOM 959 C LYS A 63 0.830 -15.653 4.072 1.00 0.00 C ATOM 960 O LYS A 63 1.552 -16.613 3.779 1.00 0.00 O ATOM 961 CB LYS A 63 2.387 -13.646 4.309 1.00 0.00 C ATOM 962 CG LYS A 63 2.064 -12.671 5.442 1.00 0.00 C ATOM 963 CD LYS A 63 2.613 -11.274 5.161 1.00 0.00 C ATOM 964 CE LYS A 63 3.900 -10.995 5.958 1.00 0.00 C ATOM 965 NZ LYS A 63 4.966 -10.369 5.130 1.00 0.00 N ATOM 0 H LYS A 63 0.099 -12.495 4.075 1.00 0.00 H new ATOM 0 HA LYS A 63 1.473 -14.353 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.969 -14.470 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.026 -13.134 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.984 -12.617 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.484 -13.046 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.816 -11.171 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.859 -10.529 5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.667 -10.341 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.273 -11.930 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.895 -10.567 5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.933 -10.761 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.816 -9.341 5.090 1.00 0.00 H new ATOM 979 N ILE A 64 -0.290 -15.797 4.795 1.00 0.00 N ATOM 980 CA ILE A 64 -0.725 -17.112 5.264 1.00 0.00 C ATOM 981 C ILE A 64 -1.139 -17.949 4.059 1.00 0.00 C ATOM 982 O ILE A 64 -0.779 -19.139 3.957 1.00 0.00 O ATOM 983 CB ILE A 64 -1.937 -17.023 6.254 1.00 0.00 C ATOM 984 CG1 ILE A 64 -1.637 -16.059 7.408 1.00 0.00 C ATOM 985 CG2 ILE A 64 -2.307 -18.401 6.803 1.00 0.00 C ATOM 986 CD1 ILE A 64 -2.677 -16.085 8.510 1.00 0.00 C ATOM 0 H ILE A 64 -0.902 -15.026 5.063 1.00 0.00 H new ATOM 0 HA ILE A 64 0.109 -17.566 5.799 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.788 -16.637 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.664 -16.307 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.564 -15.046 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.151 -18.306 7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.580 -19.060 5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.454 -18.821 7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.397 -15.378 9.291 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.648 -15.808 8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.734 -17.088 8.932 1.00 0.00 H new ATOM 998 N LYS A 65 -1.885 -17.321 3.141 1.00 0.00 N ATOM 999 CA LYS A 65 -2.351 -17.977 1.947 1.00 0.00 C ATOM 1000 C LYS A 65 -1.201 -18.221 0.976 1.00 0.00 C ATOM 1001 O LYS A 65 -1.067 -19.325 0.415 1.00 0.00 O ATOM 1002 CB LYS A 65 -3.440 -17.149 1.245 1.00 0.00 C ATOM 1003 CG LYS A 65 -4.425 -16.412 2.165 1.00 0.00 C ATOM 1004 CD LYS A 65 -4.556 -14.944 1.768 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.810 -14.697 0.925 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.032 -14.555 1.754 1.00 0.00 N ATOM 0 H LYS A 65 -2.174 -16.346 3.219 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.775 -18.934 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.953 -16.414 0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.009 -17.812 0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.402 -16.893 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.085 -16.483 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.593 -14.326 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.673 -14.638 1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.672 -13.795 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.943 -15.523 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.803 -15.112 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.841 -14.900 2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.310 -13.554 1.794 1.00 0.00 H new ATOM 1020 N TYR A 66 -0.411 -17.186 0.727 1.00 0.00 N ATOM 1021 CA TYR A 66 0.683 -17.278 -0.228 1.00 0.00 C ATOM 1022 C TYR A 66 1.960 -16.647 0.325 1.00 0.00 C ATOM 1023 O TYR A 66 2.283 -15.509 0.005 1.00 0.00 O ATOM 1024 CB TYR A 66 0.302 -16.635 -1.599 1.00 0.00 C ATOM 1025 CG TYR A 66 -1.098 -16.039 -1.658 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -1.356 -14.789 -1.120 1.00 0.00 C ATOM 1027 CD2 TYR A 66 -2.154 -16.735 -2.232 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -2.624 -14.251 -1.148 1.00 0.00 C ATOM 1029 CE2 TYR A 66 -3.422 -16.200 -2.268 1.00 0.00 C ATOM 1030 CZ TYR A 66 -3.653 -14.958 -1.725 1.00 0.00 C ATOM 1031 OH TYR A 66 -4.922 -14.429 -1.738 1.00 0.00 O ATOM 0 H TYR A 66 -0.508 -16.274 1.173 1.00 0.00 H new ATOM 0 HA TYR A 66 0.874 -18.338 -0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.025 -15.853 -1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.392 -17.393 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.550 -14.227 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.978 -17.712 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.809 -13.278 -0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.232 -16.753 -2.721 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.228 -14.336 -2.664 1.00 0.00 H new ATOM 1041 N PRO A 67 2.768 -17.422 1.100 1.00 0.00 N ATOM 1042 CA PRO A 67 4.072 -16.939 1.614 1.00 0.00 C ATOM 1043 C PRO A 67 5.024 -16.524 0.469 1.00 0.00 C ATOM 1044 O PRO A 67 5.997 -15.804 0.691 1.00 0.00 O ATOM 1045 CB PRO A 67 4.634 -18.152 2.368 1.00 0.00 C ATOM 1046 CG PRO A 67 3.919 -19.315 1.775 1.00 0.00 C ATOM 1047 CD PRO A 67 2.534 -18.834 1.469 1.00 0.00 C ATOM 0 HA PRO A 67 3.965 -16.052 2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.713 -18.238 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.449 -18.075 3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.420 -19.662 0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.896 -20.155 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.078 -19.397 0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.872 -18.925 2.330 1.00 0.00 H new ATOM 1055 N ASP A 68 4.706 -16.962 -0.773 1.00 0.00 N ATOM 1056 CA ASP A 68 5.484 -16.592 -1.967 1.00 0.00 C ATOM 1057 C ASP A 68 5.425 -15.082 -2.251 1.00 0.00 C ATOM 1058 O ASP A 68 6.186 -14.570 -3.080 1.00 0.00 O ATOM 1059 CB ASP A 68 4.999 -17.363 -3.195 1.00 0.00 C ATOM 1060 CG ASP A 68 6.107 -17.708 -4.119 1.00 0.00 C ATOM 1061 OD1 ASP A 68 6.881 -18.601 -3.797 1.00 0.00 O ATOM 1062 OD2 ASP A 68 6.209 -17.098 -5.176 1.00 0.00 O ATOM 0 H ASP A 68 3.913 -17.573 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 68 6.521 -16.858 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.500 -18.277 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.258 -16.766 -3.727 1.00 0.00 H new ATOM 1067 N ASP A 69 4.574 -14.368 -1.522 1.00 0.00 N ATOM 1068 CA ASP A 69 4.436 -12.930 -1.642 1.00 0.00 C ATOM 1069 C ASP A 69 5.520 -12.170 -0.877 1.00 0.00 C ATOM 1070 O ASP A 69 5.379 -10.972 -0.625 1.00 0.00 O ATOM 1071 CB ASP A 69 3.051 -12.525 -1.163 1.00 0.00 C ATOM 1072 CG ASP A 69 2.970 -11.961 0.254 1.00 0.00 C ATOM 1073 OD1 ASP A 69 3.583 -12.538 1.199 1.00 0.00 O ATOM 1074 OD2 ASP A 69 2.315 -10.935 0.425 1.00 0.00 O ATOM 0 H ASP A 69 3.955 -14.781 -0.824 1.00 0.00 H new ATOM 0 HA ASP A 69 4.561 -12.663 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.654 -11.780 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.398 -13.396 -1.224 1.00 0.00 H new ATOM 1079 N GLY A 70 6.560 -12.880 -0.467 1.00 0.00 N ATOM 1080 CA GLY A 70 7.622 -12.322 0.321 1.00 0.00 C ATOM 1081 C GLY A 70 8.025 -10.913 -0.043 1.00 0.00 C ATOM 1082 O GLY A 70 8.188 -10.097 0.842 1.00 0.00 O ATOM 0 H GLY A 70 6.682 -13.870 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.321 -12.337 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.496 -12.967 0.231 1.00 0.00 H new ATOM 1086 N ASP A 71 8.093 -10.595 -1.337 1.00 0.00 N ATOM 1087 CA ASP A 71 8.406 -9.214 -1.763 1.00 0.00 C ATOM 1088 C ASP A 71 7.146 -8.376 -1.736 1.00 0.00 C ATOM 1089 O ASP A 71 7.162 -7.256 -1.257 1.00 0.00 O ATOM 1090 CB ASP A 71 9.034 -9.177 -3.173 1.00 0.00 C ATOM 1091 CG ASP A 71 9.573 -7.818 -3.581 1.00 0.00 C ATOM 1092 OD1 ASP A 71 9.794 -6.943 -2.717 1.00 0.00 O ATOM 1093 OD2 ASP A 71 9.794 -7.622 -4.780 1.00 0.00 O ATOM 0 H ASP A 71 7.940 -11.254 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 71 9.138 -8.805 -1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.845 -9.904 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.285 -9.491 -3.900 1.00 0.00 H new ATOM 1098 N LEU A 72 6.047 -8.945 -2.237 1.00 0.00 N ATOM 1099 CA LEU A 72 4.747 -8.272 -2.251 1.00 0.00 C ATOM 1100 C LEU A 72 4.372 -7.753 -0.869 1.00 0.00 C ATOM 1101 O LEU A 72 4.208 -6.545 -0.703 1.00 0.00 O ATOM 1102 CB LEU A 72 3.634 -9.191 -2.797 1.00 0.00 C ATOM 1103 CG LEU A 72 2.408 -8.490 -3.433 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.808 -7.258 -4.245 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.622 -9.464 -4.295 1.00 0.00 C ATOM 0 H LEU A 72 6.033 -9.881 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 72 4.842 -7.419 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.074 -9.853 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.281 -9.821 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 72 1.772 -8.149 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.917 -6.799 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.310 -6.541 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.483 -7.555 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.765 -8.952 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.263 -9.845 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.274 -10.294 -3.681 1.00 0.00 H new ATOM 1117 N SER A 73 4.266 -8.645 0.133 1.00 0.00 N ATOM 1118 CA SER A 73 3.917 -8.193 1.485 1.00 0.00 C ATOM 1119 C SER A 73 4.953 -7.224 1.986 1.00 0.00 C ATOM 1120 O SER A 73 4.628 -6.110 2.327 1.00 0.00 O ATOM 1121 CB SER A 73 3.696 -9.343 2.487 1.00 0.00 C ATOM 1122 OG SER A 73 4.759 -10.318 2.483 1.00 0.00 O ATOM 0 H SER A 73 4.412 -9.650 0.035 1.00 0.00 H new ATOM 0 HA SER A 73 2.954 -7.689 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.598 -8.927 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.755 -9.841 2.255 1.00 0.00 H new ATOM 0 HG SER A 73 4.428 -11.162 2.110 1.00 0.00 H new ATOM 1128 N GLU A 74 6.219 -7.632 1.926 1.00 0.00 N ATOM 1129 CA GLU A 74 7.341 -6.807 2.279 1.00 0.00 C ATOM 1130 C GLU A 74 7.198 -5.395 1.704 1.00 0.00 C ATOM 1131 O GLU A 74 7.315 -4.407 2.436 1.00 0.00 O ATOM 1132 CB GLU A 74 8.590 -7.476 1.730 1.00 0.00 C ATOM 1133 CG GLU A 74 9.867 -6.995 2.286 1.00 0.00 C ATOM 1134 CD GLU A 74 10.946 -8.024 2.197 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.905 -9.001 2.963 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.827 -7.875 1.347 1.00 0.00 O ATOM 0 H GLU A 74 6.485 -8.569 1.622 1.00 0.00 H new ATOM 0 HA GLU A 74 7.399 -6.705 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.516 -8.548 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.610 -7.337 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.179 -6.098 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.723 -6.711 3.329 1.00 0.00 H new ATOM 1143 N LEU A 75 6.940 -5.321 0.406 1.00 0.00 N ATOM 1144 CA LEU A 75 6.785 -4.063 -0.313 1.00 0.00 C ATOM 1145 C LEU A 75 5.521 -3.351 0.108 1.00 0.00 C ATOM 1146 O LEU A 75 5.548 -2.150 0.383 1.00 0.00 O ATOM 1147 CB LEU A 75 6.769 -4.316 -1.822 1.00 0.00 C ATOM 1148 CG LEU A 75 7.131 -3.139 -2.735 1.00 0.00 C ATOM 1149 CD1 LEU A 75 8.083 -2.171 -2.065 1.00 0.00 C ATOM 1150 CD2 LEU A 75 7.733 -3.655 -4.005 1.00 0.00 C ATOM 0 H LEU A 75 6.831 -6.144 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 75 7.634 -3.425 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.459 -5.133 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.772 -4.661 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 75 6.214 -2.593 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.312 -1.353 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.620 -1.771 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.004 -2.691 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.990 -2.817 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.633 -4.225 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.015 -4.299 -4.513 1.00 0.00 H new ATOM 1162 N VAL A 76 4.413 -4.092 0.179 1.00 0.00 N ATOM 1163 CA VAL A 76 3.146 -3.526 0.616 1.00 0.00 C ATOM 1164 C VAL A 76 3.334 -2.929 2.011 1.00 0.00 C ATOM 1165 O VAL A 76 3.085 -1.744 2.215 1.00 0.00 O ATOM 1166 CB VAL A 76 2.005 -4.605 0.633 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.752 -4.102 1.339 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.657 -5.049 -0.784 1.00 0.00 C ATOM 0 H VAL A 76 4.373 -5.083 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 76 2.844 -2.751 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 76 2.386 -5.459 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.010 -4.881 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.993 -3.847 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.375 -3.218 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.864 -5.796 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.318 -4.189 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.539 -5.479 -1.258 1.00 0.00 H new ATOM 1178 N GLU A 77 3.868 -3.746 2.928 1.00 0.00 N ATOM 1179 CA GLU A 77 4.176 -3.328 4.295 1.00 0.00 C ATOM 1180 C GLU A 77 5.104 -2.123 4.283 1.00 0.00 C ATOM 1181 O GLU A 77 4.800 -1.109 4.931 1.00 0.00 O ATOM 1182 CB GLU A 77 4.781 -4.487 5.098 1.00 0.00 C ATOM 1183 CG GLU A 77 3.848 -5.693 5.232 1.00 0.00 C ATOM 1184 CD GLU A 77 4.448 -6.783 6.032 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.515 -6.634 7.246 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.882 -7.790 5.455 1.00 0.00 O ATOM 0 H GLU A 77 4.099 -4.721 2.738 1.00 0.00 H new ATOM 0 HA GLU A 77 3.247 -3.037 4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.707 -4.806 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.044 -4.130 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.914 -5.377 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.599 -6.069 4.240 1.00 0.00 H new ATOM 1193 N GLU A 78 6.180 -2.191 3.460 1.00 0.00 N ATOM 1194 CA GLU A 78 7.072 -1.041 3.270 1.00 0.00 C ATOM 1195 C GLU A 78 6.223 0.168 2.903 1.00 0.00 C ATOM 1196 O GLU A 78 6.293 1.191 3.554 1.00 0.00 O ATOM 1197 CB GLU A 78 8.106 -1.295 2.142 1.00 0.00 C ATOM 1198 CG GLU A 78 9.350 -2.078 2.570 1.00 0.00 C ATOM 1199 CD GLU A 78 10.537 -1.922 1.637 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.600 -0.937 0.875 1.00 0.00 O ATOM 1201 OE2 GLU A 78 11.418 -2.774 1.677 1.00 0.00 O ATOM 0 H GLU A 78 6.441 -3.021 2.928 1.00 0.00 H new ATOM 0 HA GLU A 78 7.622 -0.872 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.614 -1.837 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.422 -0.334 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.643 -1.755 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.094 -3.135 2.640 1.00 0.00 H new ATOM 1208 N TYR A 79 5.379 0.002 1.880 1.00 0.00 N ATOM 1209 CA TYR A 79 4.473 1.053 1.441 1.00 0.00 C ATOM 1210 C TYR A 79 3.618 1.567 2.595 1.00 0.00 C ATOM 1211 O TYR A 79 3.596 2.774 2.852 1.00 0.00 O ATOM 1212 CB TYR A 79 3.583 0.582 0.277 1.00 0.00 C ATOM 1213 CG TYR A 79 3.087 1.704 -0.606 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.937 2.725 -1.011 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.768 1.741 -1.036 1.00 0.00 C ATOM 1216 CE1 TYR A 79 3.493 3.741 -1.812 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.312 2.761 -1.844 1.00 0.00 C ATOM 1218 CZ TYR A 79 2.177 3.759 -2.228 1.00 0.00 C ATOM 1219 OH TYR A 79 1.730 4.769 -3.042 1.00 0.00 O ATOM 0 H TYR A 79 5.309 -0.861 1.340 1.00 0.00 H new ATOM 0 HA TYR A 79 5.089 1.877 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.144 -0.127 -0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.725 0.045 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.967 2.717 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.088 0.959 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.169 4.526 -2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.283 2.776 -2.173 1.00 0.00 H new ATOM 0 HH TYR A 79 1.601 5.583 -2.512 1.00 0.00 H new ATOM 1229 N LEU A 80 2.920 0.666 3.304 1.00 0.00 N ATOM 1230 CA LEU A 80 2.087 1.077 4.460 1.00 0.00 C ATOM 1231 C LEU A 80 2.939 1.863 5.449 1.00 0.00 C ATOM 1232 O LEU A 80 2.575 2.977 5.859 1.00 0.00 O ATOM 1233 CB LEU A 80 1.450 -0.134 5.191 1.00 0.00 C ATOM 1234 CG LEU A 80 1.085 -1.351 4.338 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.505 -2.448 5.186 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.139 -0.975 3.217 1.00 0.00 C ATOM 0 H LEU A 80 2.910 -0.335 3.108 1.00 0.00 H new ATOM 0 HA LEU A 80 1.277 1.695 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.140 -0.461 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.546 0.211 5.692 1.00 0.00 H new ATOM 0 HG LEU A 80 2.003 -1.724 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.254 -3.301 4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.235 -2.753 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.396 -2.087 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.100 -1.862 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.777 -0.560 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.612 -0.232 2.575 1.00 0.00 H new ATOM 1248 N ASP A 81 4.103 1.294 5.777 1.00 0.00 N ATOM 1249 CA ASP A 81 5.071 1.920 6.680 1.00 0.00 C ATOM 1250 C ASP A 81 5.471 3.292 6.177 1.00 0.00 C ATOM 1251 O ASP A 81 5.341 4.288 6.894 1.00 0.00 O ATOM 1252 CB ASP A 81 6.323 1.049 6.808 1.00 0.00 C ATOM 1253 CG ASP A 81 7.015 1.242 8.103 1.00 0.00 C ATOM 1254 OD1 ASP A 81 6.390 1.039 9.138 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.196 1.579 8.091 1.00 0.00 O ATOM 0 H ASP A 81 4.400 0.385 5.423 1.00 0.00 H new ATOM 0 HA ASP A 81 4.596 2.023 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.045 0.000 6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.009 1.282 5.994 1.00 0.00 H new ATOM 1260 N ASP A 82 5.964 3.344 4.940 1.00 0.00 N ATOM 1261 CA ASP A 82 6.376 4.606 4.309 1.00 0.00 C ATOM 1262 C ASP A 82 5.234 5.609 4.386 1.00 0.00 C ATOM 1263 O ASP A 82 5.405 6.720 4.910 1.00 0.00 O ATOM 1264 CB ASP A 82 6.791 4.383 2.835 1.00 0.00 C ATOM 1265 CG ASP A 82 8.209 3.909 2.684 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.570 2.863 3.255 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.987 4.570 2.002 1.00 0.00 O ATOM 0 H ASP A 82 6.090 2.523 4.348 1.00 0.00 H new ATOM 0 HA ASP A 82 7.241 4.996 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.121 3.653 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.666 5.315 2.284 1.00 0.00 H new ATOM 1272 N THR A 83 4.043 5.175 3.940 1.00 0.00 N ATOM 1273 CA THR A 83 2.827 5.993 4.021 1.00 0.00 C ATOM 1274 C THR A 83 2.649 6.521 5.450 1.00 0.00 C ATOM 1275 O THR A 83 2.522 7.740 5.664 1.00 0.00 O ATOM 1276 CB THR A 83 1.572 5.176 3.590 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.807 4.423 2.406 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.354 6.028 3.322 1.00 0.00 C ATOM 0 H THR A 83 3.899 4.257 3.518 1.00 0.00 H new ATOM 0 HA THR A 83 2.933 6.834 3.336 1.00 0.00 H new ATOM 0 HB THR A 83 1.381 4.525 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.171 3.545 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.479 5.390 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.088 6.577 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.572 6.733 2.520 1.00 0.00 H new ATOM 1286 N TYR A 84 2.662 5.603 6.429 1.00 0.00 N ATOM 1287 CA TYR A 84 2.520 5.971 7.819 1.00 0.00 C ATOM 1288 C TYR A 84 3.604 6.971 8.232 1.00 0.00 C ATOM 1289 O TYR A 84 3.289 8.039 8.752 1.00 0.00 O ATOM 1290 CB TYR A 84 2.542 4.739 8.738 1.00 0.00 C ATOM 1291 CG TYR A 84 2.340 5.107 10.174 1.00 0.00 C ATOM 1292 CD1 TYR A 84 1.069 5.245 10.699 1.00 0.00 C ATOM 1293 CD2 TYR A 84 3.419 5.364 10.988 1.00 0.00 C ATOM 1294 CE1 TYR A 84 0.883 5.626 12.006 1.00 0.00 C ATOM 1295 CE2 TYR A 84 3.246 5.755 12.288 1.00 0.00 C ATOM 1296 CZ TYR A 84 1.979 5.884 12.798 1.00 0.00 C ATOM 1297 OH TYR A 84 1.806 6.301 14.095 1.00 0.00 O ATOM 0 H TYR A 84 2.770 4.602 6.268 1.00 0.00 H new ATOM 0 HA TYR A 84 1.547 6.449 7.931 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.763 4.042 8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.495 4.221 8.627 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.210 5.051 10.073 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.419 5.255 10.595 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.115 5.722 12.409 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.104 5.961 12.910 1.00 0.00 H new ATOM 0 HH TYR A 84 2.681 6.437 14.514 1.00 0.00 H new ATOM 1307 N THR A 85 4.867 6.617 8.005 1.00 0.00 N ATOM 1308 CA THR A 85 6.003 7.488 8.350 1.00 0.00 C ATOM 1309 C THR A 85 5.784 8.922 7.800 1.00 0.00 C ATOM 1310 O THR A 85 5.938 9.916 8.534 1.00 0.00 O ATOM 1311 CB THR A 85 7.328 6.880 7.820 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.383 5.471 8.072 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.574 7.489 8.429 1.00 0.00 C ATOM 0 H THR A 85 5.137 5.729 7.581 1.00 0.00 H new ATOM 0 HA THR A 85 6.071 7.557 9.436 1.00 0.00 H new ATOM 0 HB THR A 85 7.320 7.100 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.896 4.994 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.457 7.010 8.006 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.601 8.557 8.211 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.562 7.339 9.509 1.00 0.00 H new ATOM 1321 N LEU A 86 5.374 9.018 6.530 1.00 0.00 N ATOM 1322 CA LEU A 86 5.087 10.312 5.897 1.00 0.00 C ATOM 1323 C LEU A 86 3.987 11.036 6.636 1.00 0.00 C ATOM 1324 O LEU A 86 4.211 12.086 7.209 1.00 0.00 O ATOM 1325 CB LEU A 86 4.616 10.109 4.463 1.00 0.00 C ATOM 1326 CG LEU A 86 5.592 10.461 3.318 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.662 11.460 3.746 1.00 0.00 C ATOM 1328 CD2 LEU A 86 6.221 9.217 2.748 1.00 0.00 C ATOM 0 H LEU A 86 5.233 8.214 5.919 1.00 0.00 H new ATOM 0 HA LEU A 86 6.007 10.896 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.334 9.062 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.711 10.700 4.323 1.00 0.00 H new ATOM 0 HG LEU A 86 5.002 10.944 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.320 11.672 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.186 12.384 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.245 11.040 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.904 9.490 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.772 8.697 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.442 8.562 2.356 1.00 0.00 H new ATOM 1340 N PHE A 87 2.774 10.475 6.566 1.00 0.00 N ATOM 1341 CA PHE A 87 1.587 11.094 7.164 1.00 0.00 C ATOM 1342 C PHE A 87 1.735 11.348 8.644 1.00 0.00 C ATOM 1343 O PHE A 87 1.109 12.269 9.174 1.00 0.00 O ATOM 1344 CB PHE A 87 0.327 10.296 6.844 1.00 0.00 C ATOM 1345 CG PHE A 87 0.006 10.358 5.385 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.293 11.568 4.798 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.047 9.227 4.597 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.552 11.653 3.459 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.208 9.308 3.246 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.507 10.521 2.678 1.00 0.00 C ATOM 0 H PHE A 87 2.589 9.588 6.098 1.00 0.00 H new ATOM 0 HA PHE A 87 1.484 12.077 6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.464 9.258 7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.511 10.687 7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.323 12.461 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.281 8.271 5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.792 12.608 3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.173 8.418 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.707 10.587 1.619 1.00 0.00 H new ATOM 1360 N SER A 88 2.600 10.588 9.297 1.00 0.00 N ATOM 1361 CA SER A 88 2.882 10.809 10.690 1.00 0.00 C ATOM 1362 C SER A 88 3.772 12.052 10.880 1.00 0.00 C ATOM 1363 O SER A 88 3.738 12.698 11.942 1.00 0.00 O ATOM 1364 CB SER A 88 3.535 9.587 11.267 1.00 0.00 C ATOM 1365 OG SER A 88 2.656 8.472 11.195 1.00 0.00 O ATOM 0 H SER A 88 3.115 9.814 8.877 1.00 0.00 H new ATOM 0 HA SER A 88 1.946 10.993 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.455 9.368 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.813 9.772 12.305 1.00 0.00 H new ATOM 0 HG SER A 88 2.880 7.833 11.903 1.00 0.00 H new ATOM 1371 N SER A 89 4.534 12.408 9.851 1.00 0.00 N ATOM 1372 CA SER A 89 5.369 13.584 9.886 1.00 0.00 C ATOM 1373 C SER A 89 4.551 14.784 9.429 1.00 0.00 C ATOM 1374 O SER A 89 4.231 14.897 8.242 1.00 0.00 O ATOM 1375 CB SER A 89 6.595 13.396 8.979 1.00 0.00 C ATOM 1376 OG SER A 89 7.217 12.114 9.202 1.00 0.00 O ATOM 0 H SER A 89 4.584 11.886 8.976 1.00 0.00 H new ATOM 0 HA SER A 89 5.723 13.750 10.903 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.294 13.481 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.316 14.191 9.169 1.00 0.00 H new ATOM 0 HG SER A 89 6.727 11.423 8.710 1.00 0.00 H new ATOM 1382 N TYR A 90 4.183 15.660 10.390 1.00 0.00 N ATOM 1383 CA TYR A 90 3.372 16.860 10.110 1.00 0.00 C ATOM 1384 C TYR A 90 3.756 17.471 8.762 1.00 0.00 C ATOM 1385 O TYR A 90 2.945 17.551 7.854 1.00 0.00 O ATOM 1386 CB TYR A 90 3.554 17.901 11.226 1.00 0.00 C ATOM 1387 CG TYR A 90 2.490 17.876 12.307 1.00 0.00 C ATOM 1388 CD1 TYR A 90 1.244 18.454 12.103 1.00 0.00 C ATOM 1389 CD2 TYR A 90 2.745 17.299 13.544 1.00 0.00 C ATOM 1390 CE1 TYR A 90 0.290 18.459 13.099 1.00 0.00 C ATOM 1391 CE2 TYR A 90 1.794 17.293 14.539 1.00 0.00 C ATOM 1392 CZ TYR A 90 0.568 17.877 14.311 1.00 0.00 C ATOM 1393 OH TYR A 90 -0.376 17.899 15.307 1.00 0.00 O ATOM 0 H TYR A 90 4.438 15.555 11.372 1.00 0.00 H new ATOM 0 HA TYR A 90 2.325 16.560 10.071 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.527 17.746 11.692 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.571 18.894 10.777 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.018 18.907 11.149 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.708 16.846 13.729 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.672 18.919 12.926 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.008 16.833 15.493 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.025 17.444 16.101 1.00 0.00 H new ATOM 1403 N GLY A 91 5.021 17.820 8.609 1.00 0.00 N ATOM 1404 CA GLY A 91 5.486 18.305 7.337 1.00 0.00 C ATOM 1405 C GLY A 91 5.997 17.163 6.525 1.00 0.00 C ATOM 1406 O GLY A 91 6.881 16.429 6.984 1.00 0.00 O ATOM 0 H GLY A 91 5.729 17.775 9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.675 18.806 6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.275 19.043 7.484 1.00 0.00 H new ATOM 1410 N ILE A 92 5.448 16.982 5.341 1.00 0.00 N ATOM 1411 CA ILE A 92 5.861 15.886 4.487 1.00 0.00 C ATOM 1412 C ILE A 92 7.334 16.018 4.135 1.00 0.00 C ATOM 1413 O ILE A 92 7.829 17.131 3.865 1.00 0.00 O ATOM 1414 CB ILE A 92 4.985 15.756 3.210 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.526 15.535 3.610 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.458 14.586 2.348 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.322 14.346 4.538 1.00 0.00 C ATOM 0 H ILE A 92 4.718 17.577 4.949 1.00 0.00 H new ATOM 0 HA ILE A 92 5.715 14.964 5.050 1.00 0.00 H new ATOM 0 HB ILE A 92 5.075 16.676 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.152 16.435 4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.929 15.389 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.832 14.512 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.494 14.749 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.387 13.661 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.263 14.250 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.665 13.437 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.891 14.498 5.455 1.00 0.00 H new ATOM 1429 N ASN A 93 8.041 14.910 4.210 1.00 0.00 N ATOM 1430 CA ASN A 93 9.484 14.876 3.975 1.00 0.00 C ATOM 1431 C ASN A 93 9.777 14.174 2.677 1.00 0.00 C ATOM 1432 O ASN A 93 9.365 13.018 2.482 1.00 0.00 O ATOM 1433 CB ASN A 93 10.223 14.158 5.127 1.00 0.00 C ATOM 1434 CG ASN A 93 9.396 14.041 6.391 1.00 0.00 C ATOM 1435 OD1 ASN A 93 8.709 13.044 6.600 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.423 15.061 7.219 1.00 0.00 N ATOM 0 H ASN A 93 7.638 14.001 4.436 1.00 0.00 H new ATOM 0 HA ASN A 93 9.840 15.905 3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.512 13.160 4.797 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.142 14.699 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.861 15.042 8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 93 10.006 15.871 7.011 1.00 0.00 H new ATOM 1443 N ASP A 94 10.486 14.853 1.783 1.00 0.00 N ATOM 1444 CA ASP A 94 10.833 14.280 0.477 1.00 0.00 C ATOM 1445 C ASP A 94 11.633 12.975 0.581 1.00 0.00 C ATOM 1446 O ASP A 94 11.307 12.036 -0.119 1.00 0.00 O ATOM 1447 CB ASP A 94 11.524 15.291 -0.460 1.00 0.00 C ATOM 1448 CG ASP A 94 12.685 15.990 0.157 1.00 0.00 C ATOM 1449 OD1 ASP A 94 12.466 16.892 0.970 1.00 0.00 O ATOM 1450 OD2 ASP A 94 13.816 15.637 -0.153 1.00 0.00 O ATOM 0 H ASP A 94 10.834 15.800 1.933 1.00 0.00 H new ATOM 0 HA ASP A 94 9.877 14.025 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.861 14.770 -1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.793 16.034 -0.779 1.00 0.00 H new ATOM 1455 N PRO A 95 12.669 12.864 1.479 1.00 0.00 N ATOM 1456 CA PRO A 95 13.439 11.607 1.632 1.00 0.00 C ATOM 1457 C PRO A 95 12.518 10.404 1.829 1.00 0.00 C ATOM 1458 O PRO A 95 12.680 9.369 1.164 1.00 0.00 O ATOM 1459 CB PRO A 95 14.277 11.845 2.891 1.00 0.00 C ATOM 1460 CG PRO A 95 14.421 13.323 2.968 1.00 0.00 C ATOM 1461 CD PRO A 95 13.141 13.897 2.420 1.00 0.00 C ATOM 0 HA PRO A 95 14.038 11.382 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.783 11.448 3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.248 11.355 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.584 13.646 3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.280 13.662 2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.414 14.081 3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.312 14.849 1.917 1.00 0.00 H new ATOM 1469 N GLU A 96 11.545 10.561 2.725 1.00 0.00 N ATOM 1470 CA GLU A 96 10.561 9.533 2.996 1.00 0.00 C ATOM 1471 C GLU A 96 9.579 9.441 1.830 1.00 0.00 C ATOM 1472 O GLU A 96 9.277 8.353 1.351 1.00 0.00 O ATOM 1473 CB GLU A 96 9.806 9.853 4.300 1.00 0.00 C ATOM 1474 CG GLU A 96 10.452 9.297 5.569 1.00 0.00 C ATOM 1475 CD GLU A 96 11.912 9.601 5.682 1.00 0.00 C ATOM 1476 OE1 GLU A 96 12.282 10.780 5.640 1.00 0.00 O ATOM 1477 OE2 GLU A 96 12.689 8.662 5.830 1.00 0.00 O ATOM 0 H GLU A 96 11.423 11.408 3.280 1.00 0.00 H new ATOM 0 HA GLU A 96 11.068 8.575 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.720 10.935 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.793 9.459 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.936 9.706 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.312 8.216 5.594 1.00 0.00 H new ATOM 1484 N LEU A 97 9.075 10.594 1.376 1.00 0.00 N ATOM 1485 CA LEU A 97 8.117 10.621 0.267 1.00 0.00 C ATOM 1486 C LEU A 97 8.692 9.964 -0.980 1.00 0.00 C ATOM 1487 O LEU A 97 8.053 9.102 -1.574 1.00 0.00 O ATOM 1488 CB LEU A 97 7.653 12.042 -0.053 1.00 0.00 C ATOM 1489 CG LEU A 97 6.633 12.144 -1.187 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.277 11.611 -0.757 1.00 0.00 C ATOM 1491 CD2 LEU A 97 6.516 13.560 -1.672 1.00 0.00 C ATOM 0 H LEU A 97 9.312 11.511 1.755 1.00 0.00 H new ATOM 0 HA LEU A 97 7.248 10.049 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.220 12.479 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.524 12.644 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 97 6.989 11.527 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.573 11.697 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.372 10.564 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.911 12.189 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.785 13.609 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.194 14.200 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.484 13.900 -2.039 1.00 0.00 H new ATOM 1503 N GLN A 98 9.896 10.368 -1.380 1.00 0.00 N ATOM 1504 CA GLN A 98 10.536 9.779 -2.548 1.00 0.00 C ATOM 1505 C GLN A 98 10.738 8.283 -2.341 1.00 0.00 C ATOM 1506 O GLN A 98 10.449 7.486 -3.240 1.00 0.00 O ATOM 1507 CB GLN A 98 11.828 10.525 -2.917 1.00 0.00 C ATOM 1508 CG GLN A 98 11.600 12.022 -3.184 1.00 0.00 C ATOM 1509 CD GLN A 98 10.289 12.302 -3.874 1.00 0.00 C ATOM 1510 OE1 GLN A 98 9.895 11.589 -4.802 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.601 13.307 -3.446 1.00 0.00 N ATOM 0 H GLN A 98 10.442 11.094 -0.916 1.00 0.00 H new ATOM 0 HA GLN A 98 9.877 9.892 -3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.550 10.411 -2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.266 10.066 -3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.630 12.563 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.416 12.405 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.954 13.877 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.704 13.531 -3.877 1.00 0.00 H new ATOM 1520 N ARG A 99 11.065 7.901 -1.096 1.00 0.00 N ATOM 1521 CA ARG A 99 11.111 6.509 -0.692 1.00 0.00 C ATOM 1522 C ARG A 99 9.742 5.874 -0.973 1.00 0.00 C ATOM 1523 O ARG A 99 9.633 4.897 -1.730 1.00 0.00 O ATOM 1524 CB ARG A 99 11.431 6.419 0.814 1.00 0.00 C ATOM 1525 CG ARG A 99 12.694 5.677 1.127 1.00 0.00 C ATOM 1526 CD ARG A 99 12.628 4.258 0.606 1.00 0.00 C ATOM 1527 NE ARG A 99 11.489 3.493 1.170 1.00 0.00 N ATOM 1528 CZ ARG A 99 11.416 2.145 1.201 1.00 0.00 C ATOM 1529 NH1 ARG A 99 12.413 1.403 0.714 1.00 0.00 N ATOM 1530 NH2 ARG A 99 10.358 1.552 1.724 1.00 0.00 N ATOM 0 H ARG A 99 11.303 8.556 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 99 11.885 5.981 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.505 7.428 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.600 5.931 1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.544 6.193 0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.857 5.666 2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.544 4.278 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.559 3.744 0.845 1.00 0.00 H new ATOM 0 HE ARG A 99 10.708 4.021 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.237 1.854 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.351 0.385 0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.595 2.112 2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.303 0.534 1.747 1.00 0.00 H new ATOM 1544 N TRP A 100 8.698 6.493 -0.407 1.00 0.00 N ATOM 1545 CA TRP A 100 7.292 6.086 -0.615 1.00 0.00 C ATOM 1546 C TRP A 100 7.026 5.896 -2.106 1.00 0.00 C ATOM 1547 O TRP A 100 6.504 4.848 -2.533 1.00 0.00 O ATOM 1548 CB TRP A 100 6.346 7.168 -0.044 1.00 0.00 C ATOM 1549 CG TRP A 100 4.902 6.775 0.054 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.366 5.853 0.888 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.804 7.312 -0.704 1.00 0.00 C ATOM 1552 NE1 TRP A 100 3.012 5.788 0.710 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.639 6.668 -0.256 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.694 8.278 -1.708 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.377 6.949 -0.778 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.440 8.558 -2.229 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.297 7.896 -1.758 1.00 0.00 C ATOM 0 H TRP A 100 8.800 7.296 0.213 1.00 0.00 H new ATOM 0 HA TRP A 100 7.109 5.144 -0.098 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.697 7.446 0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.421 8.058 -0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.927 5.256 1.592 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.380 5.174 1.223 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.569 8.796 -2.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.496 6.437 -0.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.342 9.298 -3.010 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.333 8.141 -2.179 1.00 0.00 H new ATOM 1568 N GLN A 101 7.434 6.897 -2.903 1.00 0.00 N ATOM 1569 CA GLN A 101 7.299 6.839 -4.353 1.00 0.00 C ATOM 1570 C GLN A 101 8.008 5.590 -4.901 1.00 0.00 C ATOM 1571 O GLN A 101 7.391 4.765 -5.562 1.00 0.00 O ATOM 1572 CB GLN A 101 7.852 8.115 -5.033 1.00 0.00 C ATOM 1573 CG GLN A 101 7.432 9.434 -4.384 1.00 0.00 C ATOM 1574 CD GLN A 101 6.745 10.371 -5.346 1.00 0.00 C ATOM 1575 OE1 GLN A 101 6.840 10.220 -6.566 1.00 0.00 O ATOM 1576 NE2 GLN A 101 6.062 11.341 -4.821 1.00 0.00 N ATOM 0 H GLN A 101 7.861 7.757 -2.558 1.00 0.00 H new ATOM 0 HA GLN A 101 6.236 6.779 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.941 8.062 -5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.528 8.122 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.763 9.225 -3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.313 9.927 -3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.006 11.435 -3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.581 12.010 -5.422 1.00 0.00 H new ATOM 1585 N LYS A 102 9.285 5.426 -4.569 1.00 0.00 N ATOM 1586 CA LYS A 102 10.046 4.254 -5.010 1.00 0.00 C ATOM 1587 C LYS A 102 9.357 2.952 -4.601 1.00 0.00 C ATOM 1588 O LYS A 102 9.242 2.020 -5.409 1.00 0.00 O ATOM 1589 CB LYS A 102 11.468 4.308 -4.468 1.00 0.00 C ATOM 1590 CG LYS A 102 12.222 5.532 -4.897 1.00 0.00 C ATOM 1591 CD LYS A 102 13.171 5.980 -3.838 1.00 0.00 C ATOM 1592 CE LYS A 102 14.436 6.461 -4.467 1.00 0.00 C ATOM 1593 NZ LYS A 102 14.289 7.798 -5.103 1.00 0.00 N ATOM 0 H LYS A 102 9.816 6.085 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 102 10.089 4.273 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.436 4.273 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.009 3.422 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.771 5.321 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.520 6.334 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.721 6.778 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.383 5.158 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.219 6.508 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.761 5.740 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.196 8.084 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.562 7.751 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.006 8.495 -4.385 1.00 0.00 H new ATOM 1607 N THR A 103 8.894 2.902 -3.364 1.00 0.00 N ATOM 1608 CA THR A 103 8.198 1.734 -2.847 1.00 0.00 C ATOM 1609 C THR A 103 6.941 1.420 -3.700 1.00 0.00 C ATOM 1610 O THR A 103 6.757 0.260 -4.117 1.00 0.00 O ATOM 1611 CB THR A 103 7.857 1.934 -1.353 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.987 2.452 -0.651 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.434 0.668 -0.631 1.00 0.00 C ATOM 0 H THR A 103 8.988 3.664 -2.693 1.00 0.00 H new ATOM 0 HA THR A 103 8.854 0.867 -2.920 1.00 0.00 H new ATOM 0 HB THR A 103 7.014 2.625 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.135 3.385 -0.912 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.214 0.900 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.544 0.258 -1.108 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.240 -0.064 -0.677 1.00 0.00 H new ATOM 1621 N LYS A 104 6.099 2.451 -4.017 1.00 0.00 N ATOM 1622 CA LYS A 104 4.930 2.183 -4.882 1.00 0.00 C ATOM 1623 C LYS A 104 5.375 1.697 -6.230 1.00 0.00 C ATOM 1624 O LYS A 104 4.888 0.675 -6.694 1.00 0.00 O ATOM 1625 CB LYS A 104 3.915 3.361 -5.051 1.00 0.00 C ATOM 1626 CG LYS A 104 4.483 4.787 -5.187 1.00 0.00 C ATOM 1627 CD LYS A 104 4.812 5.214 -6.646 1.00 0.00 C ATOM 1628 CE LYS A 104 3.847 4.664 -7.706 1.00 0.00 C ATOM 1629 NZ LYS A 104 3.967 5.399 -8.985 1.00 0.00 N ATOM 0 H LYS A 104 6.205 3.416 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 104 4.376 1.411 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.309 3.157 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.243 3.349 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.765 5.492 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.390 4.862 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.810 6.303 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.823 4.885 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.053 3.607 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.823 4.736 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.533 4.841 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.481 6.315 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.972 5.558 -9.201 1.00 0.00 H new ATOM 1643 N GLU A 105 6.327 2.422 -6.850 1.00 0.00 N ATOM 1644 CA GLU A 105 6.857 2.042 -8.162 1.00 0.00 C ATOM 1645 C GLU A 105 7.102 0.542 -8.214 1.00 0.00 C ATOM 1646 O GLU A 105 6.434 -0.168 -8.978 1.00 0.00 O ATOM 1647 CB GLU A 105 8.139 2.816 -8.482 1.00 0.00 C ATOM 1648 CG GLU A 105 7.934 4.323 -8.614 1.00 0.00 C ATOM 1649 CD GLU A 105 7.440 4.703 -9.962 1.00 0.00 C ATOM 1650 OE1 GLU A 105 8.267 4.883 -10.849 1.00 0.00 O ATOM 1651 OE2 GLU A 105 6.222 4.806 -10.144 1.00 0.00 O ATOM 0 H GLU A 105 6.739 3.270 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 105 6.117 2.299 -8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.872 2.626 -7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.560 2.434 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.223 4.659 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.875 4.835 -8.415 1.00 0.00 H new ATOM 1658 N ARG A 106 7.965 0.046 -7.309 1.00 0.00 N ATOM 1659 CA ARG A 106 8.195 -1.389 -7.198 1.00 0.00 C ATOM 1660 C ARG A 106 6.873 -2.125 -7.059 1.00 0.00 C ATOM 1661 O ARG A 106 6.577 -3.045 -7.818 1.00 0.00 O ATOM 1662 CB ARG A 106 9.007 -1.729 -5.964 1.00 0.00 C ATOM 1663 CG ARG A 106 10.371 -1.127 -5.875 1.00 0.00 C ATOM 1664 CD ARG A 106 11.166 -1.885 -4.830 1.00 0.00 C ATOM 1665 NE ARG A 106 11.577 -3.227 -5.357 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.162 -4.440 -4.870 1.00 0.00 C ATOM 1667 NH1 ARG A 106 10.578 -4.527 -3.671 1.00 0.00 N ATOM 1668 NH2 ARG A 106 11.398 -5.558 -5.566 1.00 0.00 N ATOM 0 H ARG A 106 8.503 0.616 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 106 8.730 -1.689 -8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.440 -1.419 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.109 -2.813 -5.911 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.871 -1.179 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.303 -0.073 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.049 -1.311 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.567 -2.009 -3.928 1.00 0.00 H new ATOM 0 HE ARG A 106 12.222 -3.239 -6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.438 -3.687 -3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.273 -5.434 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.887 -5.509 -6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.089 -6.460 -5.203 1.00 0.00 H new ATOM 1682 N LEU A 107 6.100 -1.727 -6.039 1.00 0.00 N ATOM 1683 CA LEU A 107 4.829 -2.364 -5.706 1.00 0.00 C ATOM 1684 C LEU A 107 3.948 -2.565 -6.935 1.00 0.00 C ATOM 1685 O LEU A 107 3.407 -3.664 -7.149 1.00 0.00 O ATOM 1686 CB LEU A 107 4.077 -1.543 -4.634 1.00 0.00 C ATOM 1687 CG LEU A 107 3.066 -2.307 -3.763 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.702 -3.523 -3.105 1.00 0.00 C ATOM 1689 CD2 LEU A 107 2.469 -1.392 -2.709 1.00 0.00 C ATOM 0 H LEU A 107 6.344 -0.951 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 107 5.058 -3.351 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.816 -1.085 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.550 -0.731 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 107 2.269 -2.658 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.958 -4.039 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.075 -4.200 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.529 -3.203 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.756 -1.951 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.263 -1.006 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.958 -0.561 -3.196 1.00 0.00 H new ATOM 1701 N PHE A 108 3.850 -1.537 -7.772 1.00 0.00 N ATOM 1702 CA PHE A 108 3.038 -1.615 -8.976 1.00 0.00 C ATOM 1703 C PHE A 108 3.607 -2.602 -9.963 1.00 0.00 C ATOM 1704 O PHE A 108 2.857 -3.248 -10.683 1.00 0.00 O ATOM 1705 CB PHE A 108 2.816 -0.239 -9.608 1.00 0.00 C ATOM 1706 CG PHE A 108 1.765 0.568 -8.886 1.00 0.00 C ATOM 1707 CD1 PHE A 108 2.112 1.393 -7.836 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.433 0.487 -9.249 1.00 0.00 C ATOM 1709 CE1 PHE A 108 1.164 2.123 -7.163 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.524 1.218 -8.579 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.158 2.038 -7.535 1.00 0.00 C ATOM 0 H PHE A 108 4.322 -0.643 -7.637 1.00 0.00 H new ATOM 0 HA PHE A 108 2.057 -1.985 -8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.756 0.313 -9.608 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.520 -0.365 -10.650 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.148 1.466 -7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.140 -0.156 -10.066 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.455 2.763 -6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.561 1.148 -8.873 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.906 2.613 -7.010 1.00 0.00 H new ATOM 1721 N ARG A 109 4.921 -2.804 -9.934 1.00 0.00 N ATOM 1722 CA ARG A 109 5.549 -3.816 -10.770 1.00 0.00 C ATOM 1723 C ARG A 109 5.176 -5.198 -10.263 1.00 0.00 C ATOM 1724 O ARG A 109 4.727 -6.044 -11.051 1.00 0.00 O ATOM 1725 CB ARG A 109 7.064 -3.622 -10.845 1.00 0.00 C ATOM 1726 CG ARG A 109 7.475 -2.179 -11.137 1.00 0.00 C ATOM 1727 CD ARG A 109 7.411 -1.855 -12.642 1.00 0.00 C ATOM 1728 NE ARG A 109 6.107 -2.220 -13.261 1.00 0.00 N ATOM 1729 CZ ARG A 109 5.945 -2.806 -14.479 1.00 0.00 C ATOM 1730 NH1 ARG A 109 7.000 -3.017 -15.269 1.00 0.00 N ATOM 1731 NH2 ARG A 109 4.725 -3.147 -14.897 1.00 0.00 N ATOM 0 H ARG A 109 5.567 -2.282 -9.343 1.00 0.00 H new ATOM 0 HA ARG A 109 5.177 -3.712 -11.789 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.511 -3.936 -9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.469 -4.272 -11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.822 -1.498 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.488 -2.009 -10.772 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.590 -0.790 -12.787 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.212 -2.385 -13.157 1.00 0.00 H new ATOM 0 HE ARG A 109 5.263 -2.013 -12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 109 7.932 -2.739 -14.961 1.00 0.00 H new ATOM 0 HH12 ARG A 109 6.875 -3.456 -16.181 1.00 0.00 H new ATOM 0 HH21 ARG A 109 3.914 -2.969 -14.304 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.603 -3.586 -15.809 1.00 0.00 H new ATOM 1745 N LEU A 110 5.213 -5.393 -8.931 1.00 0.00 N ATOM 1746 CA LEU A 110 4.754 -6.596 -8.345 1.00 0.00 C ATOM 1747 C LEU A 110 3.294 -6.818 -8.732 1.00 0.00 C ATOM 1748 O LEU A 110 2.944 -7.861 -9.315 1.00 0.00 O ATOM 1749 CB LEU A 110 4.899 -6.485 -6.843 1.00 0.00 C ATOM 1750 CG LEU A 110 6.316 -6.624 -6.332 1.00 0.00 C ATOM 1751 CD1 LEU A 110 7.041 -5.336 -6.359 1.00 0.00 C ATOM 1752 CD2 LEU A 110 6.394 -7.281 -4.972 1.00 0.00 C ATOM 0 H LEU A 110 5.565 -4.706 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 110 5.339 -7.445 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.505 -5.520 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.282 -7.251 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 110 6.819 -7.298 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.054 -5.481 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.083 -4.963 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.521 -4.613 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.436 -7.352 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.839 -6.685 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.963 -8.281 -5.026 1.00 0.00 H new ATOM 1764 N PHE A 111 2.460 -5.798 -8.468 1.00 0.00 N ATOM 1765 CA PHE A 111 1.034 -5.826 -8.812 1.00 0.00 C ATOM 1766 C PHE A 111 0.768 -5.841 -10.325 1.00 0.00 C ATOM 1767 O PHE A 111 -0.345 -6.139 -10.739 1.00 0.00 O ATOM 1768 CB PHE A 111 0.279 -4.673 -8.146 1.00 0.00 C ATOM 1769 CG PHE A 111 0.012 -4.915 -6.686 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.776 -5.978 -6.278 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.559 -4.090 -5.723 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.013 -6.209 -4.941 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.325 -4.317 -4.382 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.461 -5.377 -3.991 1.00 0.00 C ATOM 0 H PHE A 111 2.757 -4.935 -8.012 1.00 0.00 H new ATOM 0 HA PHE A 111 0.656 -6.771 -8.421 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.856 -3.755 -8.257 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.668 -4.519 -8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.210 -6.634 -7.018 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.177 -3.257 -6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.631 -7.041 -4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.758 -3.663 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.645 -5.556 -2.942 1.00 0.00 H new ATOM 1784 N SER A 112 1.790 -5.577 -11.145 1.00 0.00 N ATOM 1785 CA SER A 112 1.644 -5.621 -12.606 1.00 0.00 C ATOM 1786 C SER A 112 1.546 -7.078 -13.101 1.00 0.00 C ATOM 1787 O SER A 112 1.191 -7.320 -14.258 1.00 0.00 O ATOM 1788 CB SER A 112 2.844 -4.945 -13.292 1.00 0.00 C ATOM 1789 OG SER A 112 2.835 -3.507 -13.154 1.00 0.00 O ATOM 0 H SER A 112 2.726 -5.331 -10.824 1.00 0.00 H new ATOM 0 HA SER A 112 0.729 -5.087 -12.862 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.768 -5.340 -12.868 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.843 -5.203 -14.351 1.00 0.00 H new ATOM 0 HG SER A 112 2.336 -3.259 -12.348 1.00 0.00 H new ATOM 1795 N GLY A 113 1.835 -8.051 -12.219 1.00 0.00 N ATOM 1796 CA GLY A 113 1.742 -9.444 -12.605 1.00 0.00 C ATOM 1797 C GLY A 113 2.990 -10.253 -12.324 1.00 0.00 C ATOM 1798 O GLY A 113 3.134 -11.351 -12.876 1.00 0.00 O ATOM 0 H GLY A 113 2.128 -7.890 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.902 -9.899 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.519 -9.500 -13.671 1.00 0.00 H new ATOM 1802 N GLU A 114 3.878 -9.769 -11.430 1.00 0.00 N ATOM 1803 CA GLU A 114 5.057 -10.546 -11.065 1.00 0.00 C ATOM 1804 C GLU A 114 4.592 -11.819 -10.360 1.00 0.00 C ATOM 1805 O GLU A 114 4.505 -12.884 -10.962 1.00 0.00 O ATOM 1806 CB GLU A 114 6.005 -9.742 -10.133 1.00 0.00 C ATOM 1807 CG GLU A 114 6.614 -8.491 -10.756 1.00 0.00 C ATOM 1808 CD GLU A 114 7.991 -8.737 -11.268 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.119 -9.378 -12.318 1.00 0.00 O ATOM 1810 OE2 GLU A 114 8.948 -8.332 -10.613 1.00 0.00 O ATOM 0 H GLU A 114 3.796 -8.866 -10.964 1.00 0.00 H new ATOM 0 HA GLU A 114 5.617 -10.788 -11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.452 -9.452 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.813 -10.398 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.979 -8.147 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.640 -7.692 -10.015 1.00 0.00 H new ATOM 1817 N TYR A 115 4.219 -11.669 -9.099 1.00 0.00 N ATOM 1818 CA TYR A 115 3.697 -12.762 -8.284 1.00 0.00 C ATOM 1819 C TYR A 115 2.169 -12.880 -8.423 1.00 0.00 C ATOM 1820 O TYR A 115 1.607 -13.956 -8.232 1.00 0.00 O ATOM 1821 CB TYR A 115 4.115 -12.594 -6.792 1.00 0.00 C ATOM 1822 CG TYR A 115 5.452 -11.881 -6.614 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.521 -10.501 -6.633 1.00 0.00 C ATOM 1824 CD2 TYR A 115 6.640 -12.586 -6.485 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.715 -9.846 -6.532 1.00 0.00 C ATOM 1826 CE2 TYR A 115 7.851 -11.925 -6.369 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.883 -10.553 -6.396 1.00 0.00 C ATOM 1828 OH TYR A 115 9.099 -9.886 -6.305 1.00 0.00 O ATOM 0 H TYR A 115 4.269 -10.778 -8.605 1.00 0.00 H new ATOM 0 HA TYR A 115 4.134 -13.690 -8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 115 3.341 -12.035 -6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.171 -13.577 -6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.611 -9.928 -6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.620 -13.666 -6.475 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.740 -8.767 -6.559 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.767 -12.487 -6.258 1.00 0.00 H new ATOM 0 HH TYR A 115 8.964 -9.017 -5.872 1.00 0.00 H new ATOM 1838 N ILE A 116 1.500 -11.741 -8.704 1.00 0.00 N ATOM 1839 CA ILE A 116 0.029 -11.672 -8.807 1.00 0.00 C ATOM 1840 C ILE A 116 -0.561 -12.809 -9.650 1.00 0.00 C ATOM 1841 O ILE A 116 -1.388 -13.565 -9.160 1.00 0.00 O ATOM 1842 CB ILE A 116 -0.468 -10.301 -9.389 1.00 0.00 C ATOM 1843 CG1 ILE A 116 0.228 -9.114 -8.721 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -1.973 -10.159 -9.233 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -0.015 -9.021 -7.232 1.00 0.00 C ATOM 0 H ILE A 116 1.964 -10.847 -8.865 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.327 -11.774 -7.782 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.213 -10.297 -10.449 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.301 -9.186 -8.900 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.113 -8.193 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.293 -9.201 -9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.472 -10.968 -9.767 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.235 -10.206 -8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.511 -8.155 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.083 -8.916 -7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.352 -9.925 -6.746 1.00 0.00 H new ATOM 1857 N SER A 117 -0.169 -12.894 -10.914 1.00 0.00 N ATOM 1858 CA SER A 117 -0.728 -13.901 -11.833 1.00 0.00 C ATOM 1859 C SER A 117 -0.564 -15.341 -11.313 1.00 0.00 C ATOM 1860 O SER A 117 -1.463 -16.165 -11.478 1.00 0.00 O ATOM 1861 CB SER A 117 -0.133 -13.747 -13.231 1.00 0.00 C ATOM 1862 OG SER A 117 0.652 -12.540 -13.327 1.00 0.00 O ATOM 0 H SER A 117 0.532 -12.284 -11.335 1.00 0.00 H new ATOM 0 HA SER A 117 -1.801 -13.716 -11.889 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.491 -14.610 -13.462 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.933 -13.725 -13.971 1.00 0.00 H new ATOM 0 HG SER A 117 1.551 -12.705 -12.973 1.00 0.00 H new