USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 821 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 47 MET CE :methyl -140:sc= -0.346 (180deg=-1.19) USER MOD Set 1.2: A 50 CYS SG : rot -150:sc= -0.816 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -157:sc= 1.92 (180deg=0.761) USER MOD Set 2.2: A 51 TYR OH : rot 24:sc= 1.86 USER MOD Set 3.1: A 25 GLN : amide:sc= 0.352 K(o=0.35,f=-6.2!) USER MOD Set 3.2: A 57 SER OG : rot -130:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0415 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= 2.23 (180deg=-0.28) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 0.844 (180deg=-0.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.16) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 0.623 (180deg=0.0366) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 52 LYS NZ :NH3+ 145:sc= 0.94 (180deg=0.272) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 127:sc= 0.529 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 15:sc= -1.2 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0292 F(o=-1.3!,f=-0.029) USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00589) USER MOD Single : A 77 SER OG : rot -100:sc= -0.453 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00362) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.137 15.464 -2.009 1.00 0.00 N ATOM 2 CA MET A 1 11.403 14.375 -2.926 1.00 0.00 C ATOM 3 C MET A 1 10.155 13.550 -3.034 1.00 0.00 C ATOM 4 O MET A 1 9.527 13.246 -2.029 1.00 0.00 O ATOM 5 CB MET A 1 12.557 13.508 -2.413 1.00 0.00 C ATOM 6 CG MET A 1 13.011 12.411 -3.371 1.00 0.00 C ATOM 7 SD MET A 1 14.353 11.401 -2.691 1.00 0.00 S ATOM 8 CE MET A 1 14.675 10.299 -4.073 1.00 0.00 C ATOM 0 H1 MET A 1 11.956 15.598 -1.382 1.00 0.00 H new ATOM 0 H2 MET A 1 10.967 16.337 -2.547 1.00 0.00 H new ATOM 0 H3 MET A 1 10.297 15.240 -1.438 1.00 0.00 H new ATOM 0 HA MET A 1 11.688 14.771 -3.901 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.407 14.153 -2.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.256 13.047 -1.472 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.163 11.769 -3.609 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.341 12.864 -4.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.480 9.612 -3.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.774 9.731 -4.303 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.967 10.884 -4.945 1.00 0.00 H new ATOM 18 N ALA A 2 9.800 13.200 -4.229 1.00 0.00 N ATOM 19 CA ALA A 2 8.602 12.444 -4.471 1.00 0.00 C ATOM 20 C ALA A 2 8.939 11.156 -5.172 1.00 0.00 C ATOM 21 O ALA A 2 9.832 11.111 -6.038 1.00 0.00 O ATOM 22 CB ALA A 2 7.608 13.252 -5.284 1.00 0.00 C ATOM 0 H ALA A 2 10.330 13.428 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 2 8.139 12.211 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.710 12.659 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.346 14.160 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.053 13.519 -6.242 1.00 0.00 H new ATOM 28 N TYR A 3 8.260 10.125 -4.798 1.00 0.00 N ATOM 29 CA TYR A 3 8.477 8.817 -5.359 1.00 0.00 C ATOM 30 C TYR A 3 7.337 8.490 -6.282 1.00 0.00 C ATOM 31 O TYR A 3 6.365 9.246 -6.360 1.00 0.00 O ATOM 32 CB TYR A 3 8.588 7.757 -4.247 1.00 0.00 C ATOM 33 CG TYR A 3 9.792 7.922 -3.337 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.931 9.044 -2.530 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.780 6.947 -3.273 1.00 0.00 C ATOM 36 CE1 TYR A 3 11.004 9.196 -1.696 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.867 7.094 -2.433 1.00 0.00 C ATOM 38 CZ TYR A 3 11.968 8.224 -1.646 1.00 0.00 C ATOM 39 OH TYR A 3 13.035 8.380 -0.799 1.00 0.00 O ATOM 0 H TYR A 3 7.529 10.158 -4.087 1.00 0.00 H new ATOM 0 HA TYR A 3 9.414 8.814 -5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.683 7.789 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.629 6.770 -4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.174 9.814 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.697 6.063 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.091 10.078 -1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.631 6.332 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 3 13.631 7.606 -0.878 1.00 0.00 H new ATOM 49 N PHE A 4 7.457 7.410 -6.983 1.00 0.00 N ATOM 50 CA PHE A 4 6.424 6.979 -7.893 1.00 0.00 C ATOM 51 C PHE A 4 5.525 5.984 -7.183 1.00 0.00 C ATOM 52 O PHE A 4 5.893 5.475 -6.129 1.00 0.00 O ATOM 53 CB PHE A 4 7.064 6.366 -9.136 1.00 0.00 C ATOM 54 CG PHE A 4 7.960 7.328 -9.863 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.443 8.486 -10.421 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.317 7.079 -9.982 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.262 9.376 -11.084 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.141 7.966 -10.644 1.00 0.00 C ATOM 59 CZ PHE A 4 9.613 9.116 -11.195 1.00 0.00 C ATOM 0 H PHE A 4 8.270 6.796 -6.947 1.00 0.00 H new ATOM 0 HA PHE A 4 5.817 7.827 -8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.640 5.487 -8.847 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.280 6.025 -9.812 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.387 8.694 -10.336 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.735 6.181 -9.552 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.847 10.275 -11.516 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.198 7.761 -10.731 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.256 9.812 -11.713 1.00 0.00 H new ATOM 69 N LEU A 5 4.369 5.711 -7.730 1.00 0.00 N ATOM 70 CA LEU A 5 3.442 4.786 -7.100 1.00 0.00 C ATOM 71 C LEU A 5 3.080 3.703 -8.126 1.00 0.00 C ATOM 72 O LEU A 5 2.774 4.020 -9.273 1.00 0.00 O ATOM 73 CB LEU A 5 2.170 5.560 -6.649 1.00 0.00 C ATOM 74 CG LEU A 5 1.350 5.009 -5.441 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.895 3.577 -5.624 1.00 0.00 C ATOM 76 CD2 LEU A 5 2.116 5.160 -4.145 1.00 0.00 C ATOM 0 H LEU A 5 4.041 6.111 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 5 3.891 4.322 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.471 6.579 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.498 5.620 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 5 0.447 5.618 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.331 3.259 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.261 3.507 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.765 2.932 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.519 4.767 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.053 4.607 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.328 6.214 -3.969 1.00 0.00 H new ATOM 88 N ASP A 6 3.137 2.449 -7.721 1.00 0.00 N ATOM 89 CA ASP A 6 2.788 1.322 -8.587 1.00 0.00 C ATOM 90 C ASP A 6 1.920 0.333 -7.802 1.00 0.00 C ATOM 91 O ASP A 6 1.926 0.347 -6.570 1.00 0.00 O ATOM 92 CB ASP A 6 4.063 0.643 -9.123 1.00 0.00 C ATOM 93 CG ASP A 6 3.808 -0.464 -10.138 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.728 -0.492 -10.767 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.702 -1.308 -10.336 1.00 0.00 O ATOM 0 H ASP A 6 3.426 2.175 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 6 2.221 1.681 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.698 1.401 -9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.619 0.228 -8.283 1.00 0.00 H new ATOM 100 N PHE A 7 1.201 -0.511 -8.496 1.00 0.00 N ATOM 101 CA PHE A 7 0.257 -1.435 -7.881 1.00 0.00 C ATOM 102 C PHE A 7 0.450 -2.836 -8.426 1.00 0.00 C ATOM 103 O PHE A 7 0.719 -3.016 -9.625 1.00 0.00 O ATOM 104 CB PHE A 7 -1.194 -1.032 -8.184 1.00 0.00 C ATOM 105 CG PHE A 7 -1.659 0.290 -7.649 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.500 1.452 -8.387 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.288 0.365 -6.419 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.956 2.660 -7.907 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.742 1.570 -5.929 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.577 2.718 -6.673 1.00 0.00 C ATOM 0 H PHE A 7 1.248 -0.584 -9.512 1.00 0.00 H new ATOM 0 HA PHE A 7 0.443 -1.404 -6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.325 -1.025 -9.266 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.851 -1.807 -7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.013 1.410 -9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.425 -0.533 -5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.829 3.559 -8.492 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.226 1.615 -4.964 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.933 3.664 -6.292 1.00 0.00 H new ATOM 120 N ASP A 8 0.320 -3.817 -7.569 1.00 0.00 N ATOM 121 CA ASP A 8 0.336 -5.212 -7.993 1.00 0.00 C ATOM 122 C ASP A 8 -0.998 -5.573 -8.619 1.00 0.00 C ATOM 123 O ASP A 8 -2.021 -5.001 -8.253 1.00 0.00 O ATOM 124 CB ASP A 8 0.604 -6.140 -6.820 1.00 0.00 C ATOM 125 CG ASP A 8 0.528 -7.578 -7.237 1.00 0.00 C ATOM 126 OD1 ASP A 8 1.272 -7.986 -8.144 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.300 -8.309 -6.717 1.00 0.00 O ATOM 0 H ASP A 8 0.201 -3.683 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 8 1.137 -5.333 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.590 -5.931 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.121 -5.949 -6.029 1.00 0.00 H new ATOM 132 N GLU A 9 -0.996 -6.506 -9.557 1.00 0.00 N ATOM 133 CA GLU A 9 -2.209 -6.907 -10.226 1.00 0.00 C ATOM 134 C GLU A 9 -3.231 -7.560 -9.264 1.00 0.00 C ATOM 135 O GLU A 9 -4.435 -7.478 -9.495 1.00 0.00 O ATOM 136 CB GLU A 9 -1.933 -7.703 -11.529 1.00 0.00 C ATOM 137 CG GLU A 9 -1.366 -9.107 -11.382 1.00 0.00 C ATOM 138 CD GLU A 9 -2.442 -10.144 -11.194 1.00 0.00 C ATOM 139 OE1 GLU A 9 -3.191 -10.423 -12.158 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.573 -10.690 -10.102 1.00 0.00 O ATOM 0 H GLU A 9 -0.159 -6.999 -9.869 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.706 -5.998 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.867 -7.773 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.241 -7.122 -12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.779 -9.353 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.686 -9.134 -10.530 1.00 0.00 H new ATOM 147 N ARG A 10 -2.753 -8.210 -8.189 1.00 0.00 N ATOM 148 CA ARG A 10 -3.660 -8.786 -7.192 1.00 0.00 C ATOM 149 C ARG A 10 -4.273 -7.647 -6.397 1.00 0.00 C ATOM 150 O ARG A 10 -5.485 -7.618 -6.143 1.00 0.00 O ATOM 151 CB ARG A 10 -2.936 -9.773 -6.249 1.00 0.00 C ATOM 152 CG ARG A 10 -2.276 -10.947 -6.960 1.00 0.00 C ATOM 153 CD ARG A 10 -1.513 -11.848 -5.997 1.00 0.00 C ATOM 154 NE ARG A 10 -0.791 -12.929 -6.701 1.00 0.00 N ATOM 155 CZ ARG A 10 0.197 -13.687 -6.176 1.00 0.00 C ATOM 156 NH1 ARG A 10 0.621 -13.487 -4.943 1.00 0.00 N ATOM 157 NH2 ARG A 10 0.768 -14.641 -6.904 1.00 0.00 N ATOM 0 H ARG A 10 -1.761 -8.346 -7.993 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.434 -9.357 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.176 -9.230 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.654 -10.158 -5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.038 -11.532 -7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.593 -10.571 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.802 -11.249 -5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.209 -12.284 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.062 -13.119 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.202 -12.752 -4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.368 -14.067 -4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.461 -14.803 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.513 -15.211 -6.504 1.00 0.00 H new ATOM 171 N ALA A 11 -3.430 -6.671 -6.067 1.00 0.00 N ATOM 172 CA ALA A 11 -3.851 -5.485 -5.354 1.00 0.00 C ATOM 173 C ALA A 11 -4.865 -4.693 -6.175 1.00 0.00 C ATOM 174 O ALA A 11 -5.811 -4.172 -5.636 1.00 0.00 O ATOM 175 CB ALA A 11 -2.650 -4.612 -4.995 1.00 0.00 C ATOM 0 H ALA A 11 -2.435 -6.688 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.332 -5.800 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.991 -3.726 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.966 -5.177 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.135 -4.309 -5.907 1.00 0.00 H new ATOM 181 N LEU A 12 -4.671 -4.651 -7.491 1.00 0.00 N ATOM 182 CA LEU A 12 -5.566 -3.944 -8.400 1.00 0.00 C ATOM 183 C LEU A 12 -6.966 -4.519 -8.392 1.00 0.00 C ATOM 184 O LEU A 12 -7.948 -3.776 -8.451 1.00 0.00 O ATOM 185 CB LEU A 12 -5.010 -3.934 -9.820 1.00 0.00 C ATOM 186 CG LEU A 12 -3.847 -2.981 -10.087 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.321 -3.175 -11.495 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.298 -1.538 -9.899 1.00 0.00 C ATOM 0 H LEU A 12 -3.887 -5.108 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.630 -2.918 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.687 -4.945 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.821 -3.683 -10.503 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.049 -3.200 -9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.492 -2.489 -11.672 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.975 -4.201 -11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.117 -2.974 -12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.461 -0.867 -10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.108 -1.317 -10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.648 -1.397 -8.877 1.00 0.00 H new ATOM 200 N LYS A 13 -7.056 -5.826 -8.291 1.00 0.00 N ATOM 201 CA LYS A 13 -8.340 -6.498 -8.258 1.00 0.00 C ATOM 202 C LYS A 13 -9.090 -6.099 -7.006 1.00 0.00 C ATOM 203 O LYS A 13 -10.277 -5.762 -7.064 1.00 0.00 O ATOM 204 CB LYS A 13 -8.133 -8.006 -8.295 1.00 0.00 C ATOM 205 CG LYS A 13 -7.534 -8.490 -9.593 1.00 0.00 C ATOM 206 CD LYS A 13 -6.878 -9.840 -9.429 1.00 0.00 C ATOM 207 CE LYS A 13 -6.246 -10.316 -10.730 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.469 -9.249 -11.393 1.00 0.00 N ATOM 0 H LYS A 13 -6.251 -6.450 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.927 -6.205 -9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.482 -8.298 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.090 -8.502 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.312 -8.552 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.799 -7.768 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.115 -9.783 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.618 -10.567 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.594 -11.165 -10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.027 -10.668 -11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.773 -9.676 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.112 -8.636 -11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.974 -8.683 -10.675 1.00 0.00 H new ATOM 222 N GLU A 14 -8.382 -6.085 -5.891 1.00 0.00 N ATOM 223 CA GLU A 14 -8.956 -5.685 -4.631 1.00 0.00 C ATOM 224 C GLU A 14 -9.261 -4.184 -4.614 1.00 0.00 C ATOM 225 O GLU A 14 -10.281 -3.769 -4.114 1.00 0.00 O ATOM 226 CB GLU A 14 -8.023 -6.056 -3.493 1.00 0.00 C ATOM 227 CG GLU A 14 -7.657 -7.533 -3.470 1.00 0.00 C ATOM 228 CD GLU A 14 -8.867 -8.442 -3.437 1.00 0.00 C ATOM 229 OE1 GLU A 14 -9.773 -8.240 -2.597 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.965 -9.352 -4.283 1.00 0.00 O ATOM 0 H GLU A 14 -7.398 -6.350 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.899 -6.216 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.111 -5.464 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.493 -5.791 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.058 -7.767 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.035 -7.734 -2.598 1.00 0.00 H new ATOM 237 N TRP A 15 -8.378 -3.405 -5.201 1.00 0.00 N ATOM 238 CA TRP A 15 -8.499 -1.949 -5.292 1.00 0.00 C ATOM 239 C TRP A 15 -9.762 -1.553 -6.050 1.00 0.00 C ATOM 240 O TRP A 15 -10.515 -0.691 -5.621 1.00 0.00 O ATOM 241 CB TRP A 15 -7.259 -1.403 -6.018 1.00 0.00 C ATOM 242 CG TRP A 15 -7.226 0.077 -6.223 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.652 0.762 -7.321 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.720 1.050 -5.319 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.444 2.099 -7.149 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.873 2.304 -5.929 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.155 0.985 -4.048 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.478 3.476 -5.319 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -5.764 2.154 -3.442 1.00 0.00 C ATOM 250 CH2 TRP A 15 -5.928 3.381 -4.075 1.00 0.00 C ATOM 0 H TRP A 15 -7.532 -3.766 -5.642 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.567 -1.529 -4.289 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.373 -1.693 -5.453 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.188 -1.888 -6.992 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.090 0.312 -8.199 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.678 2.827 -7.824 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.027 0.036 -3.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.600 4.432 -5.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.322 2.119 -2.457 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.612 4.281 -3.569 1.00 0.00 H new ATOM 261 N ARG A 16 -9.983 -2.194 -7.173 1.00 0.00 N ATOM 262 CA ARG A 16 -11.146 -1.916 -8.002 1.00 0.00 C ATOM 263 C ARG A 16 -12.414 -2.504 -7.390 1.00 0.00 C ATOM 264 O ARG A 16 -13.534 -2.074 -7.705 1.00 0.00 O ATOM 265 CB ARG A 16 -10.911 -2.419 -9.417 1.00 0.00 C ATOM 266 CG ARG A 16 -9.779 -1.686 -10.114 1.00 0.00 C ATOM 267 CD ARG A 16 -9.490 -2.271 -11.469 1.00 0.00 C ATOM 268 NE ARG A 16 -8.440 -1.534 -12.178 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.942 -1.880 -13.370 1.00 0.00 C ATOM 270 NH1 ARG A 16 -8.350 -3.003 -13.961 1.00 0.00 N ATOM 271 NH2 ARG A 16 -7.041 -1.100 -13.965 1.00 0.00 N ATOM 0 H ARG A 16 -9.369 -2.920 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.292 -0.837 -8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.685 -3.485 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.826 -2.303 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.038 -0.633 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.881 -1.733 -9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.188 -3.312 -11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.402 -2.266 -12.067 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.063 -0.699 -11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.041 -3.598 -13.504 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.971 -3.268 -14.870 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.732 -0.240 -13.511 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.660 -1.362 -14.874 1.00 0.00 H new ATOM 285 N LYS A 17 -12.223 -3.481 -6.528 1.00 0.00 N ATOM 286 CA LYS A 17 -13.301 -4.115 -5.776 1.00 0.00 C ATOM 287 C LYS A 17 -13.719 -3.207 -4.629 1.00 0.00 C ATOM 288 O LYS A 17 -14.887 -3.146 -4.263 1.00 0.00 O ATOM 289 CB LYS A 17 -12.787 -5.433 -5.204 1.00 0.00 C ATOM 290 CG LYS A 17 -13.778 -6.223 -4.361 1.00 0.00 C ATOM 291 CD LYS A 17 -13.093 -7.399 -3.674 1.00 0.00 C ATOM 292 CE LYS A 17 -12.436 -8.325 -4.680 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.766 -9.464 -4.032 1.00 0.00 N ATOM 0 H LYS A 17 -11.302 -3.868 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.155 -4.294 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.460 -6.063 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.907 -5.224 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.226 -5.570 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.589 -6.587 -4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.343 -7.027 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.825 -7.956 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.189 -8.696 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.709 -7.764 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.114 -9.913 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.232 -9.128 -3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.478 -10.157 -3.726 1.00 0.00 H new ATOM 307 N LEU A 18 -12.738 -2.518 -4.079 1.00 0.00 N ATOM 308 CA LEU A 18 -12.907 -1.629 -2.950 1.00 0.00 C ATOM 309 C LEU A 18 -13.926 -0.542 -3.228 1.00 0.00 C ATOM 310 O LEU A 18 -14.110 -0.112 -4.382 1.00 0.00 O ATOM 311 CB LEU A 18 -11.575 -0.975 -2.578 1.00 0.00 C ATOM 312 CG LEU A 18 -10.985 -1.312 -1.208 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.687 -2.791 -1.076 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.735 -0.501 -0.985 1.00 0.00 C ATOM 0 H LEU A 18 -11.776 -2.564 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.269 -2.238 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.842 -1.248 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.703 0.106 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.723 -1.061 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.269 -2.991 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.608 -3.360 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.969 -3.087 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.315 -0.741 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.006 -0.735 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.978 0.561 -1.024 1.00 0.00 H new ATOM 326 N GLY A 19 -14.574 -0.102 -2.171 1.00 0.00 N ATOM 327 CA GLY A 19 -15.540 0.954 -2.260 1.00 0.00 C ATOM 328 C GLY A 19 -14.904 2.207 -2.792 1.00 0.00 C ATOM 329 O GLY A 19 -13.765 2.520 -2.433 1.00 0.00 O ATOM 0 H GLY A 19 -14.441 -0.471 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.360 0.651 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.969 1.146 -1.276 1.00 0.00 H new ATOM 333 N SER A 20 -15.622 2.910 -3.639 1.00 0.00 N ATOM 334 CA SER A 20 -15.143 4.097 -4.326 1.00 0.00 C ATOM 335 C SER A 20 -14.503 5.108 -3.357 1.00 0.00 C ATOM 336 O SER A 20 -13.353 5.485 -3.520 1.00 0.00 O ATOM 337 CB SER A 20 -16.318 4.725 -5.067 1.00 0.00 C ATOM 338 OG SER A 20 -17.000 3.735 -5.846 1.00 0.00 O ATOM 0 H SER A 20 -16.583 2.668 -3.878 1.00 0.00 H new ATOM 0 HA SER A 20 -14.361 3.810 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.008 5.175 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.962 5.526 -5.715 1.00 0.00 H new ATOM 0 HG SER A 20 -17.753 4.150 -6.316 1.00 0.00 H new ATOM 344 N THR A 21 -15.225 5.449 -2.323 1.00 0.00 N ATOM 345 CA THR A 21 -14.790 6.424 -1.342 1.00 0.00 C ATOM 346 C THR A 21 -13.608 5.882 -0.512 1.00 0.00 C ATOM 347 O THR A 21 -12.727 6.641 -0.073 1.00 0.00 O ATOM 348 CB THR A 21 -15.972 6.779 -0.420 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.111 7.143 -1.237 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.631 7.947 0.490 1.00 0.00 C ATOM 0 H THR A 21 -16.146 5.055 -2.130 1.00 0.00 H new ATOM 0 HA THR A 21 -14.450 7.320 -1.861 1.00 0.00 H new ATOM 0 HB THR A 21 -16.198 5.911 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.869 7.369 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.486 8.173 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.774 7.686 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.389 8.821 -0.115 1.00 0.00 H new ATOM 358 N VAL A 22 -13.578 4.575 -0.342 1.00 0.00 N ATOM 359 CA VAL A 22 -12.542 3.923 0.424 1.00 0.00 C ATOM 360 C VAL A 22 -11.234 3.950 -0.361 1.00 0.00 C ATOM 361 O VAL A 22 -10.197 4.398 0.140 1.00 0.00 O ATOM 362 CB VAL A 22 -12.946 2.447 0.702 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.859 1.691 1.433 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.243 2.388 1.486 1.00 0.00 C ATOM 0 H VAL A 22 -14.272 3.938 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.411 4.447 1.371 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.091 1.964 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.183 0.665 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.950 1.688 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.659 2.175 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.509 1.347 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.117 2.905 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.036 2.869 0.914 1.00 0.00 H new ATOM 374 N ARG A 23 -11.305 3.555 -1.613 1.00 0.00 N ATOM 375 CA ARG A 23 -10.136 3.549 -2.451 1.00 0.00 C ATOM 376 C ARG A 23 -9.660 4.949 -2.767 1.00 0.00 C ATOM 377 O ARG A 23 -8.468 5.179 -2.897 1.00 0.00 O ATOM 378 CB ARG A 23 -10.282 2.701 -3.702 1.00 0.00 C ATOM 379 CG ARG A 23 -11.470 3.014 -4.579 1.00 0.00 C ATOM 380 CD ARG A 23 -11.195 2.497 -5.962 1.00 0.00 C ATOM 381 NE ARG A 23 -12.332 2.635 -6.884 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.248 2.410 -8.208 1.00 0.00 C ATOM 383 NH1 ARG A 23 -11.070 2.146 -8.763 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.334 2.468 -8.974 1.00 0.00 N ATOM 0 H ARG A 23 -12.160 3.235 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.359 3.063 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.376 2.810 -4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.342 1.655 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.371 2.552 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.648 4.089 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.338 3.029 -6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.917 1.445 -5.898 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.234 2.917 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.230 2.114 -8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.006 1.975 -9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.240 2.685 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.261 2.296 -9.977 1.00 0.00 H new ATOM 398 N GLU A 24 -10.594 5.880 -2.919 1.00 0.00 N ATOM 399 CA GLU A 24 -10.256 7.279 -3.126 1.00 0.00 C ATOM 400 C GLU A 24 -9.402 7.809 -2.003 1.00 0.00 C ATOM 401 O GLU A 24 -8.368 8.407 -2.252 1.00 0.00 O ATOM 402 CB GLU A 24 -11.508 8.133 -3.294 1.00 0.00 C ATOM 403 CG GLU A 24 -12.076 8.118 -4.704 1.00 0.00 C ATOM 404 CD GLU A 24 -11.161 8.770 -5.726 1.00 0.00 C ATOM 405 OE1 GLU A 24 -10.267 8.078 -6.289 1.00 0.00 O ATOM 406 OE2 GLU A 24 -11.322 9.986 -5.995 1.00 0.00 O ATOM 0 H GLU A 24 -11.596 5.688 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.678 7.339 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.272 7.781 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.275 9.161 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.265 7.087 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.037 8.632 -4.707 1.00 0.00 H new ATOM 413 N GLN A 25 -9.789 7.534 -0.779 1.00 0.00 N ATOM 414 CA GLN A 25 -9.046 8.026 0.360 1.00 0.00 C ATOM 415 C GLN A 25 -7.706 7.332 0.500 1.00 0.00 C ATOM 416 O GLN A 25 -6.715 7.969 0.838 1.00 0.00 O ATOM 417 CB GLN A 25 -9.871 7.956 1.625 1.00 0.00 C ATOM 418 CG GLN A 25 -11.010 8.950 1.629 1.00 0.00 C ATOM 419 CD GLN A 25 -11.922 8.778 2.802 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.725 9.374 3.868 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.920 7.973 2.619 1.00 0.00 N ATOM 0 H GLN A 25 -10.610 6.975 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.827 9.079 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.272 6.949 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.228 8.142 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.604 9.962 1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.584 8.842 0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.039 7.505 1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.587 7.807 3.373 1.00 0.00 H new ATOM 430 N LEU A 26 -7.666 6.042 0.202 1.00 0.00 N ATOM 431 CA LEU A 26 -6.408 5.307 0.204 1.00 0.00 C ATOM 432 C LEU A 26 -5.476 5.851 -0.865 1.00 0.00 C ATOM 433 O LEU A 26 -4.286 6.021 -0.627 1.00 0.00 O ATOM 434 CB LEU A 26 -6.634 3.812 0.001 1.00 0.00 C ATOM 435 CG LEU A 26 -7.276 3.061 1.176 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.546 1.626 0.800 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.373 3.111 2.403 1.00 0.00 C ATOM 0 H LEU A 26 -8.484 5.484 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.944 5.444 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.264 3.676 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.673 3.347 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.221 3.549 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.001 1.108 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.224 1.595 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.608 1.136 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.846 2.573 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.415 2.647 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.212 4.149 2.694 1.00 0.00 H new ATOM 449 N LYS A 27 -6.036 6.150 -2.031 1.00 0.00 N ATOM 450 CA LYS A 27 -5.283 6.742 -3.124 1.00 0.00 C ATOM 451 C LYS A 27 -4.694 8.084 -2.701 1.00 0.00 C ATOM 452 O LYS A 27 -3.530 8.367 -2.955 1.00 0.00 O ATOM 453 CB LYS A 27 -6.203 6.967 -4.311 1.00 0.00 C ATOM 454 CG LYS A 27 -5.497 7.507 -5.536 1.00 0.00 C ATOM 455 CD LYS A 27 -6.480 7.940 -6.599 1.00 0.00 C ATOM 456 CE LYS A 27 -7.145 9.257 -6.225 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.219 9.622 -7.170 1.00 0.00 N ATOM 0 H LYS A 27 -7.021 5.989 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.475 6.062 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.687 6.025 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.991 7.662 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.871 8.353 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.835 6.742 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.965 8.047 -7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.240 7.170 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.557 9.182 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.396 10.048 -6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.577 10.571 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.844 9.620 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.994 8.933 -7.097 1.00 0.00 H new ATOM 471 N LYS A 28 -5.504 8.887 -2.035 1.00 0.00 N ATOM 472 CA LYS A 28 -5.075 10.194 -1.546 1.00 0.00 C ATOM 473 C LYS A 28 -3.979 10.043 -0.508 1.00 0.00 C ATOM 474 O LYS A 28 -3.068 10.874 -0.433 1.00 0.00 O ATOM 475 CB LYS A 28 -6.249 10.965 -0.964 1.00 0.00 C ATOM 476 CG LYS A 28 -7.366 11.203 -1.954 1.00 0.00 C ATOM 477 CD LYS A 28 -8.545 11.865 -1.294 1.00 0.00 C ATOM 478 CE LYS A 28 -9.732 11.923 -2.223 1.00 0.00 C ATOM 479 NZ LYS A 28 -10.875 12.605 -1.602 1.00 0.00 N ATOM 0 H LYS A 28 -6.474 8.657 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.678 10.757 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.644 10.418 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.893 11.926 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.005 11.828 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.676 10.254 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.814 11.317 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.272 12.874 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.452 12.443 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.022 10.911 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.672 12.626 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.158 12.095 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.606 13.579 -1.354 1.00 0.00 H new ATOM 493 N LYS A 29 -4.077 8.988 0.293 1.00 0.00 N ATOM 494 CA LYS A 29 -3.057 8.658 1.261 1.00 0.00 C ATOM 495 C LYS A 29 -1.757 8.312 0.597 1.00 0.00 C ATOM 496 O LYS A 29 -0.700 8.705 1.070 1.00 0.00 O ATOM 497 CB LYS A 29 -3.505 7.557 2.223 1.00 0.00 C ATOM 498 CG LYS A 29 -4.563 7.996 3.222 1.00 0.00 C ATOM 499 CD LYS A 29 -4.022 9.110 4.088 1.00 0.00 C ATOM 500 CE LYS A 29 -5.016 9.585 5.112 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.442 10.653 5.951 1.00 0.00 N ATOM 0 H LYS A 29 -4.867 8.343 0.284 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.893 9.553 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.894 6.720 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.635 7.191 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.455 8.334 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.861 7.152 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.121 8.765 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.731 9.948 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.911 9.953 4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.323 8.749 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.157 11.390 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.144 10.255 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.619 11.068 5.469 1.00 0.00 H new ATOM 515 N LEU A 30 -1.841 7.602 -0.493 1.00 0.00 N ATOM 516 CA LEU A 30 -0.677 7.270 -1.279 1.00 0.00 C ATOM 517 C LEU A 30 -0.057 8.542 -1.832 1.00 0.00 C ATOM 518 O LEU A 30 1.153 8.727 -1.790 1.00 0.00 O ATOM 519 CB LEU A 30 -1.061 6.336 -2.422 1.00 0.00 C ATOM 520 CG LEU A 30 -1.684 5.009 -2.011 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.063 4.198 -3.229 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.742 4.233 -1.104 1.00 0.00 C ATOM 0 H LEU A 30 -2.717 7.235 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 30 0.049 6.762 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.761 6.858 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.169 6.130 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.595 5.214 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.506 3.254 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.784 4.755 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.173 4.000 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.205 3.288 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.191 4.036 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.535 4.818 -0.208 1.00 0.00 H new ATOM 534 N VAL A 31 -0.909 9.430 -2.309 1.00 0.00 N ATOM 535 CA VAL A 31 -0.472 10.691 -2.869 1.00 0.00 C ATOM 536 C VAL A 31 0.228 11.571 -1.808 1.00 0.00 C ATOM 537 O VAL A 31 1.312 12.112 -2.063 1.00 0.00 O ATOM 538 CB VAL A 31 -1.679 11.452 -3.512 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.285 12.846 -3.964 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.218 10.662 -4.690 1.00 0.00 C ATOM 0 H VAL A 31 -1.920 9.296 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 31 0.258 10.474 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.453 11.553 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.149 13.343 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.934 13.421 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.489 12.777 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.058 11.197 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.432 10.539 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.551 9.682 -4.349 1.00 0.00 H new ATOM 550 N GLU A 32 -0.359 11.684 -0.624 1.00 0.00 N ATOM 551 CA GLU A 32 0.258 12.465 0.442 1.00 0.00 C ATOM 552 C GLU A 32 1.520 11.805 0.995 1.00 0.00 C ATOM 553 O GLU A 32 2.512 12.474 1.243 1.00 0.00 O ATOM 554 CB GLU A 32 -0.734 12.841 1.559 1.00 0.00 C ATOM 555 CG GLU A 32 -1.409 11.667 2.224 1.00 0.00 C ATOM 556 CD GLU A 32 -2.359 12.063 3.327 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.429 12.624 3.032 1.00 0.00 O ATOM 558 OE2 GLU A 32 -2.059 11.796 4.515 1.00 0.00 O ATOM 0 H GLU A 32 -1.250 11.252 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 32 0.570 13.402 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.204 13.416 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.500 13.494 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.956 11.099 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.647 11.004 2.633 1.00 0.00 H new ATOM 565 N VAL A 33 1.488 10.481 1.131 1.00 0.00 N ATOM 566 CA VAL A 33 2.596 9.739 1.705 1.00 0.00 C ATOM 567 C VAL A 33 3.864 9.870 0.859 1.00 0.00 C ATOM 568 O VAL A 33 4.941 9.832 1.378 1.00 0.00 O ATOM 569 CB VAL A 33 2.268 8.247 2.038 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.363 7.322 0.832 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.115 7.754 3.199 1.00 0.00 C ATOM 0 H VAL A 33 0.698 9.901 0.848 1.00 0.00 H new ATOM 0 HA VAL A 33 2.785 10.208 2.670 1.00 0.00 H new ATOM 0 HB VAL A 33 1.222 8.219 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.123 6.303 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.659 7.648 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.376 7.352 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.869 6.714 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.170 7.831 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.914 8.363 4.081 1.00 0.00 H new ATOM 581 N LEU A 34 3.703 10.046 -0.454 1.00 0.00 N ATOM 582 CA LEU A 34 4.828 10.172 -1.398 1.00 0.00 C ATOM 583 C LEU A 34 5.849 11.256 -1.016 1.00 0.00 C ATOM 584 O LEU A 34 7.000 11.176 -1.451 1.00 0.00 O ATOM 585 CB LEU A 34 4.337 10.395 -2.836 1.00 0.00 C ATOM 586 CG LEU A 34 3.633 9.210 -3.507 1.00 0.00 C ATOM 587 CD1 LEU A 34 3.132 9.594 -4.887 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.574 8.014 -3.602 1.00 0.00 C ATOM 0 H LEU A 34 2.787 10.106 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 34 5.351 9.217 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.653 11.243 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.193 10.676 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 34 2.776 8.932 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.636 8.738 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.426 10.420 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.974 9.900 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.058 7.182 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.449 8.286 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.889 7.718 -2.601 1.00 0.00 H new ATOM 600 N GLU A 35 5.436 12.275 -0.239 1.00 0.00 N ATOM 601 CA GLU A 35 6.380 13.316 0.207 1.00 0.00 C ATOM 602 C GLU A 35 7.439 12.720 1.164 1.00 0.00 C ATOM 603 O GLU A 35 8.559 13.222 1.267 1.00 0.00 O ATOM 604 CB GLU A 35 5.663 14.490 0.901 1.00 0.00 C ATOM 605 CG GLU A 35 4.966 14.124 2.204 1.00 0.00 C ATOM 606 CD GLU A 35 4.438 15.321 2.944 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.211 15.951 3.701 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.247 15.652 2.810 1.00 0.00 O ATOM 0 H GLU A 35 4.477 12.399 0.087 1.00 0.00 H new ATOM 0 HA GLU A 35 6.871 13.700 -0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.391 15.276 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.926 14.906 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.142 13.443 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.665 13.587 2.845 1.00 0.00 H new ATOM 615 N SER A 36 7.071 11.665 1.851 1.00 0.00 N ATOM 616 CA SER A 36 7.936 10.983 2.770 1.00 0.00 C ATOM 617 C SER A 36 7.360 9.583 2.974 1.00 0.00 C ATOM 618 O SER A 36 6.643 9.341 3.912 1.00 0.00 O ATOM 619 CB SER A 36 8.024 11.760 4.114 1.00 0.00 C ATOM 620 OG SER A 36 9.063 11.264 4.971 1.00 0.00 O ATOM 0 H SER A 36 6.141 11.252 1.782 1.00 0.00 H new ATOM 0 HA SER A 36 8.951 10.919 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.201 12.816 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.067 11.692 4.632 1.00 0.00 H new ATOM 0 HG SER A 36 9.079 11.785 5.801 1.00 0.00 H new ATOM 626 N PRO A 37 7.573 8.662 2.009 1.00 0.00 N ATOM 627 CA PRO A 37 6.995 7.318 2.078 1.00 0.00 C ATOM 628 C PRO A 37 7.560 6.492 3.223 1.00 0.00 C ATOM 629 O PRO A 37 6.898 5.596 3.747 1.00 0.00 O ATOM 630 CB PRO A 37 7.349 6.704 0.723 1.00 0.00 C ATOM 631 CG PRO A 37 8.533 7.470 0.268 1.00 0.00 C ATOM 632 CD PRO A 37 8.319 8.868 0.759 1.00 0.00 C ATOM 0 HA PRO A 37 5.923 7.347 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.575 5.642 0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.523 6.794 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.453 7.048 0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.623 7.445 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.263 9.385 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.754 9.466 0.044 1.00 0.00 H new ATOM 640 N ARG A 38 8.760 6.823 3.634 1.00 0.00 N ATOM 641 CA ARG A 38 9.419 6.118 4.695 1.00 0.00 C ATOM 642 C ARG A 38 9.077 6.667 6.087 1.00 0.00 C ATOM 643 O ARG A 38 9.923 7.161 6.821 1.00 0.00 O ATOM 644 CB ARG A 38 10.936 5.931 4.417 1.00 0.00 C ATOM 645 CG ARG A 38 11.679 7.153 3.862 1.00 0.00 C ATOM 646 CD ARG A 38 11.901 8.247 4.889 1.00 0.00 C ATOM 647 NE ARG A 38 12.620 9.384 4.316 1.00 0.00 N ATOM 648 CZ ARG A 38 13.571 10.093 4.937 1.00 0.00 C ATOM 649 NH1 ARG A 38 13.942 9.779 6.180 1.00 0.00 N ATOM 650 NH2 ARG A 38 14.161 11.102 4.298 1.00 0.00 N ATOM 0 H ARG A 38 9.304 7.590 3.239 1.00 0.00 H new ATOM 0 HA ARG A 38 9.011 5.107 4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.420 5.629 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.056 5.108 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.644 6.833 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.114 7.562 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.940 8.582 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.464 7.847 5.732 1.00 0.00 H new ATOM 0 HE ARG A 38 12.377 9.660 3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.501 8.996 6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.667 10.322 6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.887 11.330 3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.886 11.647 4.765 1.00 0.00 H new ATOM 664 N ILE A 39 7.807 6.608 6.407 1.00 0.00 N ATOM 665 CA ILE A 39 7.310 7.043 7.694 1.00 0.00 C ATOM 666 C ILE A 39 7.328 5.882 8.664 1.00 0.00 C ATOM 667 O ILE A 39 6.611 4.890 8.479 1.00 0.00 O ATOM 668 CB ILE A 39 5.875 7.651 7.589 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.934 8.930 6.762 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.278 7.935 8.974 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.598 9.571 6.474 1.00 0.00 C ATOM 0 H ILE A 39 7.084 6.255 5.780 1.00 0.00 H new ATOM 0 HA ILE A 39 7.965 7.833 8.061 1.00 0.00 H new ATOM 0 HB ILE A 39 5.225 6.925 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.561 9.653 7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.425 8.709 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.280 8.357 8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.217 7.006 9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.913 8.644 9.506 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.748 10.473 5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.971 8.872 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.109 9.831 7.413 1.00 0.00 H new ATOM 683 N GLU A 40 8.136 6.016 9.695 1.00 0.00 N ATOM 684 CA GLU A 40 8.321 4.992 10.718 1.00 0.00 C ATOM 685 C GLU A 40 6.999 4.572 11.374 1.00 0.00 C ATOM 686 O GLU A 40 6.833 3.419 11.752 1.00 0.00 O ATOM 687 CB GLU A 40 9.297 5.486 11.777 1.00 0.00 C ATOM 688 CG GLU A 40 8.871 6.771 12.464 1.00 0.00 C ATOM 689 CD GLU A 40 9.801 7.146 13.562 1.00 0.00 C ATOM 690 OE1 GLU A 40 9.718 6.544 14.653 1.00 0.00 O ATOM 691 OE2 GLU A 40 10.646 8.034 13.363 1.00 0.00 O ATOM 0 H GLU A 40 8.696 6.854 9.854 1.00 0.00 H new ATOM 0 HA GLU A 40 8.728 4.110 10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.422 4.709 12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.271 5.641 11.313 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.829 7.578 11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.865 6.652 12.865 1.00 0.00 H new ATOM 698 N ALA A 41 6.059 5.503 11.455 1.00 0.00 N ATOM 699 CA ALA A 41 4.759 5.260 12.072 1.00 0.00 C ATOM 700 C ALA A 41 3.873 4.387 11.189 1.00 0.00 C ATOM 701 O ALA A 41 2.903 3.806 11.651 1.00 0.00 O ATOM 702 CB ALA A 41 4.068 6.579 12.371 1.00 0.00 C ATOM 0 H ALA A 41 6.175 6.450 11.095 1.00 0.00 H new ATOM 0 HA ALA A 41 4.927 4.723 13.006 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.099 6.386 12.831 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.683 7.166 13.053 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.925 7.133 11.443 1.00 0.00 H new ATOM 708 N ASN A 42 4.208 4.299 9.921 1.00 0.00 N ATOM 709 CA ASN A 42 3.435 3.482 8.997 1.00 0.00 C ATOM 710 C ASN A 42 4.160 2.191 8.715 1.00 0.00 C ATOM 711 O ASN A 42 3.572 1.246 8.221 1.00 0.00 O ATOM 712 CB ASN A 42 3.171 4.213 7.661 1.00 0.00 C ATOM 713 CG ASN A 42 2.296 5.446 7.786 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.436 5.534 8.660 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.501 6.404 6.911 1.00 0.00 N ATOM 0 H ASN A 42 5.005 4.778 9.503 1.00 0.00 H new ATOM 0 HA ASN A 42 2.475 3.279 9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.127 4.503 7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.701 3.517 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.938 7.254 6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.223 6.298 6.199 1.00 0.00 H new ATOM 722 N LYS A 43 5.441 2.158 9.047 1.00 0.00 N ATOM 723 CA LYS A 43 6.310 1.055 8.751 1.00 0.00 C ATOM 724 C LYS A 43 5.883 -0.231 9.452 1.00 0.00 C ATOM 725 O LYS A 43 5.309 -0.209 10.546 1.00 0.00 O ATOM 726 CB LYS A 43 7.736 1.409 9.185 1.00 0.00 C ATOM 727 CG LYS A 43 8.797 0.740 8.354 1.00 0.00 C ATOM 728 CD LYS A 43 10.197 0.925 8.935 1.00 0.00 C ATOM 729 CE LYS A 43 11.284 0.398 7.989 1.00 0.00 C ATOM 730 NZ LYS A 43 11.506 1.294 6.827 1.00 0.00 N ATOM 0 H LYS A 43 5.906 2.920 9.541 1.00 0.00 H new ATOM 0 HA LYS A 43 6.259 0.878 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.868 2.490 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.871 1.126 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.577 -0.325 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.770 1.145 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.371 1.983 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.265 0.406 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.217 0.284 8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.002 -0.592 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.928 0.752 6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.597 1.694 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.149 2.064 7.101 1.00 0.00 H new ATOM 744 N LEU A 44 6.104 -1.318 8.778 1.00 0.00 N ATOM 745 CA LEU A 44 5.974 -2.633 9.329 1.00 0.00 C ATOM 746 C LEU A 44 7.358 -3.050 9.740 1.00 0.00 C ATOM 747 O LEU A 44 8.274 -3.044 8.916 1.00 0.00 O ATOM 748 CB LEU A 44 5.445 -3.613 8.282 1.00 0.00 C ATOM 749 CG LEU A 44 4.001 -3.434 7.836 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.704 -4.361 6.697 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.063 -3.748 8.968 1.00 0.00 C ATOM 0 H LEU A 44 6.389 -1.315 7.799 1.00 0.00 H new ATOM 0 HA LEU A 44 5.275 -2.633 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.083 -3.544 7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.555 -4.623 8.677 1.00 0.00 H new ATOM 0 HG LEU A 44 3.862 -2.399 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.669 -4.229 6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.369 -4.137 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.857 -5.392 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.034 -3.616 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.211 -4.779 9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.263 -3.077 9.803 1.00 0.00 H new ATOM 763 N ARG A 45 7.527 -3.396 10.972 1.00 0.00 N ATOM 764 CA ARG A 45 8.840 -3.713 11.463 1.00 0.00 C ATOM 765 C ARG A 45 9.109 -5.186 11.205 1.00 0.00 C ATOM 766 O ARG A 45 8.261 -6.026 11.474 1.00 0.00 O ATOM 767 CB ARG A 45 8.967 -3.383 12.952 1.00 0.00 C ATOM 768 CG ARG A 45 10.405 -3.179 13.412 1.00 0.00 C ATOM 769 CD ARG A 45 11.002 -1.925 12.771 1.00 0.00 C ATOM 770 NE ARG A 45 12.391 -1.688 13.170 1.00 0.00 N ATOM 771 CZ ARG A 45 13.015 -0.495 13.106 1.00 0.00 C ATOM 772 NH1 ARG A 45 12.357 0.593 12.703 1.00 0.00 N ATOM 773 NH2 ARG A 45 14.285 -0.399 13.457 1.00 0.00 N ATOM 0 H ARG A 45 6.779 -3.469 11.662 1.00 0.00 H new ATOM 0 HA ARG A 45 9.581 -3.108 10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.395 -2.480 13.165 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.519 -4.189 13.533 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.436 -3.089 14.498 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.004 -4.050 13.147 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.952 -2.018 11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.398 -1.060 13.045 1.00 0.00 H new ATOM 0 HE ARG A 45 12.925 -2.483 13.522 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.374 0.526 12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.837 1.492 12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.790 -1.226 13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.760 0.502 13.410 1.00 0.00 H new ATOM 787 N GLY A 46 10.247 -5.480 10.636 1.00 0.00 N ATOM 788 CA GLY A 46 10.580 -6.844 10.276 1.00 0.00 C ATOM 789 C GLY A 46 10.477 -7.001 8.788 1.00 0.00 C ATOM 790 O GLY A 46 11.245 -7.725 8.155 1.00 0.00 O ATOM 0 H GLY A 46 10.967 -4.794 10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.589 -7.085 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.905 -7.539 10.775 1.00 0.00 H new ATOM 794 N MET A 47 9.538 -6.284 8.235 1.00 0.00 N ATOM 795 CA MET A 47 9.339 -6.221 6.815 1.00 0.00 C ATOM 796 C MET A 47 10.259 -5.130 6.304 1.00 0.00 C ATOM 797 O MET A 47 10.185 -4.011 6.814 1.00 0.00 O ATOM 798 CB MET A 47 7.884 -5.863 6.508 1.00 0.00 C ATOM 799 CG MET A 47 6.861 -6.885 6.993 1.00 0.00 C ATOM 800 SD MET A 47 6.948 -8.463 6.112 1.00 0.00 S ATOM 801 CE MET A 47 6.463 -7.961 4.458 1.00 0.00 C ATOM 0 H MET A 47 8.879 -5.718 8.769 1.00 0.00 H new ATOM 0 HA MET A 47 9.555 -7.178 6.340 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.658 -4.898 6.962 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.773 -5.741 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.013 -7.063 8.058 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.860 -6.468 6.879 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.812 -8.720 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.930 -7.011 4.508 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.352 -7.846 3.837 1.00 0.00 H new ATOM 811 N PRO A 48 11.138 -5.442 5.305 1.00 0.00 N ATOM 812 CA PRO A 48 12.184 -4.536 4.792 1.00 0.00 C ATOM 813 C PRO A 48 11.772 -3.071 4.756 1.00 0.00 C ATOM 814 O PRO A 48 12.283 -2.253 5.521 1.00 0.00 O ATOM 815 CB PRO A 48 12.459 -5.047 3.378 1.00 0.00 C ATOM 816 CG PRO A 48 11.766 -6.369 3.258 1.00 0.00 C ATOM 817 CD PRO A 48 11.177 -6.721 4.598 1.00 0.00 C ATOM 0 HA PRO A 48 13.055 -4.551 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.085 -4.345 2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.530 -5.154 3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.983 -6.319 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.469 -7.138 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.182 -7.153 4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.790 -7.452 5.126 1.00 0.00 H new ATOM 825 N ASP A 49 10.826 -2.760 3.921 1.00 0.00 N ATOM 826 CA ASP A 49 10.318 -1.414 3.830 1.00 0.00 C ATOM 827 C ASP A 49 8.878 -1.460 3.437 1.00 0.00 C ATOM 828 O ASP A 49 8.473 -0.898 2.428 1.00 0.00 O ATOM 829 CB ASP A 49 11.128 -0.558 2.845 1.00 0.00 C ATOM 830 CG ASP A 49 11.706 0.683 3.508 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.605 0.542 4.375 1.00 0.00 O ATOM 832 OD2 ASP A 49 11.314 1.819 3.169 1.00 0.00 O ATOM 0 H ASP A 49 10.384 -3.424 3.285 1.00 0.00 H new ATOM 0 HA ASP A 49 10.416 -0.941 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.938 -1.156 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.489 -0.260 2.014 1.00 0.00 H new ATOM 837 N CYS A 50 8.108 -2.176 4.210 1.00 0.00 N ATOM 838 CA CYS A 50 6.699 -2.277 3.964 1.00 0.00 C ATOM 839 C CYS A 50 5.976 -1.402 4.964 1.00 0.00 C ATOM 840 O CYS A 50 6.411 -1.281 6.107 1.00 0.00 O ATOM 841 CB CYS A 50 6.262 -3.728 4.066 1.00 0.00 C ATOM 842 SG CYS A 50 7.202 -4.831 2.979 1.00 0.00 S ATOM 0 H CYS A 50 8.437 -2.701 5.020 1.00 0.00 H new ATOM 0 HA CYS A 50 6.456 -1.934 2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.373 -4.063 5.097 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.203 -3.800 3.819 1.00 0.00 H new ATOM 0 HG CYS A 50 6.452 -5.831 2.623 1.00 0.00 H new ATOM 848 N TYR A 51 4.930 -0.762 4.528 1.00 0.00 N ATOM 849 CA TYR A 51 4.200 0.188 5.339 1.00 0.00 C ATOM 850 C TYR A 51 2.727 -0.072 5.180 1.00 0.00 C ATOM 851 O TYR A 51 2.299 -0.588 4.137 1.00 0.00 O ATOM 852 CB TYR A 51 4.512 1.640 4.884 1.00 0.00 C ATOM 853 CG TYR A 51 5.979 2.035 4.958 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.898 1.521 4.065 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.445 2.879 5.937 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.223 1.830 4.146 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.785 3.187 6.027 1.00 0.00 C ATOM 858 CZ TYR A 51 8.663 2.655 5.122 1.00 0.00 C ATOM 859 OH TYR A 51 10.001 2.916 5.228 1.00 0.00 O ATOM 0 H TYR A 51 4.550 -0.882 3.589 1.00 0.00 H new ATOM 0 HA TYR A 51 4.498 0.074 6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.169 1.765 3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.934 2.330 5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.559 0.858 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.751 3.307 6.646 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.920 1.417 3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.140 3.844 6.807 1.00 0.00 H new ATOM 0 HH TYR A 51 10.432 2.771 4.360 1.00 0.00 H new ATOM 869 N LYS A 52 1.958 0.257 6.188 1.00 0.00 N ATOM 870 CA LYS A 52 0.536 0.079 6.123 1.00 0.00 C ATOM 871 C LYS A 52 -0.169 1.391 6.425 1.00 0.00 C ATOM 872 O LYS A 52 0.260 2.163 7.300 1.00 0.00 O ATOM 873 CB LYS A 52 0.015 -1.044 7.085 1.00 0.00 C ATOM 874 CG LYS A 52 0.030 -0.736 8.606 1.00 0.00 C ATOM 875 CD LYS A 52 1.427 -0.708 9.221 1.00 0.00 C ATOM 876 CE LYS A 52 1.369 -0.353 10.703 1.00 0.00 C ATOM 877 NZ LYS A 52 2.692 -0.441 11.384 1.00 0.00 N ATOM 0 H LYS A 52 2.298 0.651 7.065 1.00 0.00 H new ATOM 0 HA LYS A 52 0.305 -0.242 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.009 -1.286 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.613 -1.939 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.450 0.228 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.569 -1.485 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.902 -1.681 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.045 0.019 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.979 0.659 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.667 -1.021 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.759 0.302 12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.790 -1.374 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.451 -0.312 10.685 1.00 0.00 H new ATOM 891 N ILE A 53 -1.210 1.653 5.700 1.00 0.00 N ATOM 892 CA ILE A 53 -2.044 2.804 5.931 1.00 0.00 C ATOM 893 C ILE A 53 -3.458 2.320 6.160 1.00 0.00 C ATOM 894 O ILE A 53 -3.939 1.450 5.435 1.00 0.00 O ATOM 895 CB ILE A 53 -2.008 3.826 4.743 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.581 4.380 4.551 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.997 4.973 4.985 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.443 5.387 3.421 1.00 0.00 C ATOM 0 H ILE A 53 -1.514 1.070 4.920 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.665 3.336 6.804 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.304 3.303 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.259 4.849 5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.096 3.547 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.956 5.671 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.006 4.571 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.732 5.494 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.592 5.723 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.730 4.919 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.091 6.242 3.614 1.00 0.00 H new ATOM 910 N LYS A 54 -4.089 2.826 7.186 1.00 0.00 N ATOM 911 CA LYS A 54 -5.443 2.452 7.505 1.00 0.00 C ATOM 912 C LYS A 54 -6.412 3.613 7.325 1.00 0.00 C ATOM 913 O LYS A 54 -6.026 4.792 7.438 1.00 0.00 O ATOM 914 CB LYS A 54 -5.537 1.792 8.909 1.00 0.00 C ATOM 915 CG LYS A 54 -4.786 2.507 10.030 1.00 0.00 C ATOM 916 CD LYS A 54 -5.391 3.845 10.404 1.00 0.00 C ATOM 917 CE LYS A 54 -4.474 4.567 11.343 1.00 0.00 C ATOM 918 NZ LYS A 54 -5.005 5.868 11.785 1.00 0.00 N ATOM 0 H LYS A 54 -3.680 3.509 7.824 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.752 1.692 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.588 1.723 9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.159 0.772 8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.768 1.866 10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.751 2.658 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.556 4.444 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.364 3.697 10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.291 3.941 12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.512 4.721 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.326 6.318 12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.154 6.481 10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.910 5.724 12.278 1.00 0.00 H new ATOM 932 N LEU A 55 -7.634 3.297 6.990 1.00 0.00 N ATOM 933 CA LEU A 55 -8.643 4.287 6.850 1.00 0.00 C ATOM 934 C LEU A 55 -9.467 4.487 8.086 1.00 0.00 C ATOM 935 O LEU A 55 -9.899 3.535 8.754 1.00 0.00 O ATOM 936 CB LEU A 55 -9.557 4.057 5.663 1.00 0.00 C ATOM 937 CG LEU A 55 -9.042 4.482 4.291 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.143 4.338 3.283 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.520 5.917 4.307 1.00 0.00 C ATOM 0 H LEU A 55 -7.948 2.344 6.809 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.077 5.201 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.793 2.994 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.492 4.584 5.850 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.207 3.836 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.779 4.641 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.468 3.298 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.983 4.970 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.162 6.185 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.324 6.593 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.701 5.998 5.022 1.00 0.00 H new ATOM 951 N ARG A 56 -9.681 5.740 8.350 1.00 0.00 N ATOM 952 CA ARG A 56 -10.508 6.249 9.424 1.00 0.00 C ATOM 953 C ARG A 56 -11.977 5.809 9.262 1.00 0.00 C ATOM 954 O ARG A 56 -12.677 5.573 10.248 1.00 0.00 O ATOM 955 CB ARG A 56 -10.419 7.789 9.388 1.00 0.00 C ATOM 956 CG ARG A 56 -10.782 8.373 8.017 1.00 0.00 C ATOM 957 CD ARG A 56 -10.646 9.872 7.946 1.00 0.00 C ATOM 958 NE ARG A 56 -10.899 10.348 6.577 1.00 0.00 N ATOM 959 CZ ARG A 56 -10.672 11.582 6.123 1.00 0.00 C ATOM 960 NH1 ARG A 56 -10.241 12.532 6.937 1.00 0.00 N ATOM 961 NH2 ARG A 56 -10.906 11.854 4.853 1.00 0.00 N ATOM 0 H ARG A 56 -9.262 6.486 7.794 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.154 5.854 10.376 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.086 8.205 10.143 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.407 8.096 9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.143 7.922 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.808 8.097 7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.349 10.340 8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.645 10.168 8.261 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.283 9.674 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.079 12.324 7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.071 13.472 6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.256 11.125 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.737 12.793 4.493 1.00 0.00 H new ATOM 975 N SER A 57 -12.407 5.673 8.020 1.00 0.00 N ATOM 976 CA SER A 57 -13.779 5.400 7.690 1.00 0.00 C ATOM 977 C SER A 57 -14.226 3.956 8.041 1.00 0.00 C ATOM 978 O SER A 57 -14.740 3.707 9.128 1.00 0.00 O ATOM 979 CB SER A 57 -13.983 5.705 6.211 1.00 0.00 C ATOM 980 OG SER A 57 -13.369 6.946 5.882 1.00 0.00 O ATOM 0 H SER A 57 -11.797 5.752 7.206 1.00 0.00 H new ATOM 0 HA SER A 57 -14.412 6.042 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.556 4.906 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.048 5.745 5.983 1.00 0.00 H new ATOM 0 HG SER A 57 -14.007 7.508 5.394 1.00 0.00 H new ATOM 986 N SER A 58 -13.995 3.021 7.152 1.00 0.00 N ATOM 987 CA SER A 58 -14.477 1.673 7.325 1.00 0.00 C ATOM 988 C SER A 58 -13.392 0.679 7.788 1.00 0.00 C ATOM 989 O SER A 58 -13.663 -0.518 7.962 1.00 0.00 O ATOM 990 CB SER A 58 -15.118 1.265 6.020 1.00 0.00 C ATOM 991 OG SER A 58 -14.368 1.816 4.935 1.00 0.00 O ATOM 0 H SER A 58 -13.469 3.172 6.291 1.00 0.00 H new ATOM 0 HA SER A 58 -15.204 1.649 8.136 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.150 0.178 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.149 1.618 5.981 1.00 0.00 H new ATOM 0 HG SER A 58 -14.120 1.101 4.312 1.00 0.00 H new ATOM 997 N GLY A 59 -12.190 1.178 8.010 1.00 0.00 N ATOM 998 CA GLY A 59 -11.114 0.331 8.500 1.00 0.00 C ATOM 999 C GLY A 59 -10.474 -0.531 7.427 1.00 0.00 C ATOM 1000 O GLY A 59 -10.268 -1.730 7.610 1.00 0.00 O ATOM 0 H GLY A 59 -11.934 2.154 7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.347 0.960 8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.503 -0.315 9.287 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.180 0.056 6.310 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.462 -0.647 5.284 1.00 0.00 C ATOM 1006 C TYR A 60 -8.003 -0.302 5.381 1.00 0.00 C ATOM 1007 O TYR A 60 -7.654 0.811 5.774 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.027 -0.369 3.890 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.316 -1.117 3.605 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.535 -0.667 4.081 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.301 -2.283 2.857 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.703 -1.360 3.818 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.460 -2.979 2.592 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.657 -2.513 3.075 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.821 -3.208 2.809 1.00 0.00 O ATOM 0 H TYR A 60 -10.424 1.020 6.081 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.583 -1.719 5.441 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.205 0.701 3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.283 -0.644 3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.575 0.239 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.362 -2.654 2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.647 -0.995 4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.427 -3.886 2.007 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.613 -4.000 2.270 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.167 -1.254 5.083 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.741 -1.091 5.181 1.00 0.00 C ATOM 1027 C ARG A 61 -5.123 -1.331 3.833 1.00 0.00 C ATOM 1028 O ARG A 61 -5.635 -2.122 3.030 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.087 -2.079 6.172 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.451 -1.962 7.658 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.878 -2.389 7.964 1.00 0.00 C ATOM 1032 NE ARG A 61 -7.049 -2.712 9.384 1.00 0.00 N ATOM 1033 CZ ARG A 61 -8.034 -3.470 9.878 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -9.137 -3.675 9.170 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.946 -3.954 11.111 1.00 0.00 N ATOM 0 H ARG A 61 -7.457 -2.177 4.761 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.567 -0.077 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.335 -3.090 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.006 -1.972 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.763 -2.573 8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.311 -0.930 7.979 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.566 -1.590 7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.137 -3.258 7.358 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.368 -2.332 10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.236 -3.254 8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.886 -4.254 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.127 -3.748 11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.698 -4.532 11.487 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.049 -0.676 3.594 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.304 -0.832 2.393 1.00 0.00 C ATOM 1051 C LEU A 62 -1.855 -1.058 2.798 1.00 0.00 C ATOM 1052 O LEU A 62 -1.335 -0.330 3.648 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.502 0.431 1.528 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.935 0.436 0.102 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.585 1.544 -0.686 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.445 0.664 0.109 1.00 0.00 C ATOM 0 H LEU A 62 -3.650 0.002 4.243 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.631 -1.681 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.573 0.622 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.062 1.272 2.063 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.141 -0.534 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.186 1.552 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.662 1.382 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.378 2.501 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.072 0.662 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.226 1.626 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.958 -0.131 0.674 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.229 -2.080 2.239 1.00 0.00 N ATOM 1069 CA VAL A 63 0.142 -2.418 2.574 1.00 0.00 C ATOM 1070 C VAL A 63 1.005 -2.316 1.315 1.00 0.00 C ATOM 1071 O VAL A 63 0.732 -2.976 0.288 1.00 0.00 O ATOM 1072 CB VAL A 63 0.267 -3.851 3.190 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.687 -4.117 3.686 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.731 -4.049 4.328 1.00 0.00 C ATOM 0 H VAL A 63 -1.654 -2.695 1.545 1.00 0.00 H new ATOM 0 HA VAL A 63 0.486 -1.712 3.330 1.00 0.00 H new ATOM 0 HB VAL A 63 0.038 -4.566 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.743 -5.120 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.385 -4.035 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.948 -3.386 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.622 -5.053 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.540 -3.315 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.745 -3.920 3.949 1.00 0.00 H new ATOM 1084 N TYR A 64 2.020 -1.505 1.384 1.00 0.00 N ATOM 1085 CA TYR A 64 2.885 -1.250 0.255 1.00 0.00 C ATOM 1086 C TYR A 64 4.331 -1.343 0.662 1.00 0.00 C ATOM 1087 O TYR A 64 4.648 -1.262 1.846 1.00 0.00 O ATOM 1088 CB TYR A 64 2.599 0.136 -0.364 1.00 0.00 C ATOM 1089 CG TYR A 64 2.755 1.322 0.582 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.005 1.822 0.924 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.651 1.939 1.118 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.137 2.894 1.771 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.770 3.010 1.967 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.016 3.487 2.292 1.00 0.00 C ATOM 1095 OH TYR A 64 3.145 4.546 3.159 1.00 0.00 O ATOM 0 H TYR A 64 2.278 -0.995 2.229 1.00 0.00 H new ATOM 0 HA TYR A 64 2.680 -2.012 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.267 0.280 -1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.582 0.137 -0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.891 1.358 0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.667 1.573 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.118 3.268 2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.887 3.476 2.378 1.00 0.00 H new ATOM 0 HH TYR A 64 4.059 4.897 3.112 1.00 0.00 H new ATOM 1105 N GLN A 65 5.191 -1.548 -0.289 1.00 0.00 N ATOM 1106 CA GLN A 65 6.597 -1.529 -0.033 1.00 0.00 C ATOM 1107 C GLN A 65 7.205 -0.319 -0.708 1.00 0.00 C ATOM 1108 O GLN A 65 6.823 0.040 -1.830 1.00 0.00 O ATOM 1109 CB GLN A 65 7.305 -2.806 -0.508 1.00 0.00 C ATOM 1110 CG GLN A 65 7.186 -3.086 -2.006 1.00 0.00 C ATOM 1111 CD GLN A 65 8.112 -4.191 -2.494 1.00 0.00 C ATOM 1112 OE1 GLN A 65 9.293 -4.291 -1.912 1.00 0.00 O flip ATOM 1113 NE2 GLN A 65 7.784 -4.921 -3.437 1.00 0.00 N flip ATOM 0 H GLN A 65 4.938 -1.732 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 65 6.737 -1.477 1.047 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.361 -2.737 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.897 -3.656 0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.156 -3.359 -2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.404 -2.171 -2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.864 -4.819 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.434 -5.625 -3.787 1.00 0.00 H new ATOM 1122 N VAL A 66 8.094 0.329 -0.036 1.00 0.00 N ATOM 1123 CA VAL A 66 8.791 1.432 -0.620 1.00 0.00 C ATOM 1124 C VAL A 66 10.073 0.901 -1.188 1.00 0.00 C ATOM 1125 O VAL A 66 10.958 0.442 -0.448 1.00 0.00 O ATOM 1126 CB VAL A 66 9.088 2.555 0.411 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.883 3.696 -0.227 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.792 3.085 0.988 1.00 0.00 C ATOM 0 H VAL A 66 8.359 0.115 0.925 1.00 0.00 H new ATOM 0 HA VAL A 66 8.168 1.881 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 66 9.692 2.128 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.076 4.467 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.831 3.312 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.310 4.123 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.010 3.872 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.175 3.489 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.257 2.276 1.484 1.00 0.00 H new ATOM 1138 N ILE A 67 10.173 0.905 -2.478 1.00 0.00 N ATOM 1139 CA ILE A 67 11.342 0.418 -3.111 1.00 0.00 C ATOM 1140 C ILE A 67 12.235 1.600 -3.382 1.00 0.00 C ATOM 1141 O ILE A 67 12.064 2.308 -4.377 1.00 0.00 O ATOM 1142 CB ILE A 67 11.028 -0.312 -4.441 1.00 0.00 C ATOM 1143 CG1 ILE A 67 9.925 -1.362 -4.235 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.290 -0.983 -4.965 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.479 -2.049 -5.513 1.00 0.00 C ATOM 0 H ILE A 67 9.450 1.244 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 67 11.823 -0.309 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 67 10.676 0.420 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.283 -2.117 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.062 -0.882 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.068 -1.496 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.058 -0.229 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.649 -1.705 -4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.699 -2.775 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.089 -1.306 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.328 -2.560 -5.967 1.00 0.00 H new ATOM 1157 N ASP A 68 13.159 1.827 -2.484 1.00 0.00 N ATOM 1158 CA ASP A 68 14.094 2.943 -2.573 1.00 0.00 C ATOM 1159 C ASP A 68 15.016 2.724 -3.750 1.00 0.00 C ATOM 1160 O ASP A 68 15.427 3.663 -4.418 1.00 0.00 O ATOM 1161 CB ASP A 68 14.905 3.047 -1.277 1.00 0.00 C ATOM 1162 CG ASP A 68 15.829 4.236 -1.233 1.00 0.00 C ATOM 1163 OD1 ASP A 68 16.972 4.141 -1.741 1.00 0.00 O ATOM 1164 OD2 ASP A 68 15.444 5.279 -0.656 1.00 0.00 O ATOM 0 H ASP A 68 13.293 1.243 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 68 13.544 3.873 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.218 3.101 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.492 2.137 -1.153 1.00 0.00 H new ATOM 1169 N GLU A 69 15.269 1.448 -4.026 1.00 0.00 N ATOM 1170 CA GLU A 69 16.118 1.003 -5.124 1.00 0.00 C ATOM 1171 C GLU A 69 15.618 1.540 -6.470 1.00 0.00 C ATOM 1172 O GLU A 69 16.407 1.964 -7.311 1.00 0.00 O ATOM 1173 CB GLU A 69 16.107 -0.521 -5.178 1.00 0.00 C ATOM 1174 CG GLU A 69 16.539 -1.193 -3.893 1.00 0.00 C ATOM 1175 CD GLU A 69 16.424 -2.692 -3.959 1.00 0.00 C ATOM 1176 OE1 GLU A 69 15.335 -3.240 -3.660 1.00 0.00 O ATOM 1177 OE2 GLU A 69 17.413 -3.355 -4.300 1.00 0.00 O ATOM 0 H GLU A 69 14.881 0.679 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 69 17.125 1.381 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.101 -0.857 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.763 -0.849 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.571 -0.920 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.929 -0.821 -3.070 1.00 0.00 H new ATOM 1184 N LYS A 70 14.311 1.542 -6.647 1.00 0.00 N ATOM 1185 CA LYS A 70 13.713 1.943 -7.915 1.00 0.00 C ATOM 1186 C LYS A 70 13.034 3.320 -7.786 1.00 0.00 C ATOM 1187 O LYS A 70 12.586 3.894 -8.777 1.00 0.00 O ATOM 1188 CB LYS A 70 12.677 0.900 -8.340 1.00 0.00 C ATOM 1189 CG LYS A 70 13.180 -0.538 -8.391 1.00 0.00 C ATOM 1190 CD LYS A 70 12.039 -1.497 -8.729 1.00 0.00 C ATOM 1191 CE LYS A 70 12.381 -2.945 -8.378 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.558 -3.451 -9.099 1.00 0.00 N ATOM 0 H LYS A 70 13.638 1.271 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 70 14.500 2.013 -8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.834 0.948 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.298 1.170 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.969 -0.626 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.618 -0.810 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.141 -1.196 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.810 -1.427 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.560 -3.020 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.524 -3.579 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.719 -4.447 -8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.396 -3.377 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.393 -2.888 -8.839 1.00 0.00 H new ATOM 1206 N VAL A 71 12.976 3.841 -6.550 1.00 0.00 N ATOM 1207 CA VAL A 71 12.331 5.142 -6.227 1.00 0.00 C ATOM 1208 C VAL A 71 10.786 5.054 -6.480 1.00 0.00 C ATOM 1209 O VAL A 71 10.098 6.037 -6.792 1.00 0.00 O ATOM 1210 CB VAL A 71 13.009 6.345 -7.016 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.491 7.714 -6.555 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.532 6.300 -6.867 1.00 0.00 C ATOM 0 H VAL A 71 13.375 3.375 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 71 12.483 5.353 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 71 12.738 6.220 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.985 8.501 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.415 7.770 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.704 7.845 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.976 7.132 -7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.797 6.377 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.909 5.359 -7.268 1.00 0.00 H new ATOM 1222 N VAL A 72 10.239 3.882 -6.251 1.00 0.00 N ATOM 1223 CA VAL A 72 8.824 3.656 -6.467 1.00 0.00 C ATOM 1224 C VAL A 72 8.218 2.914 -5.280 1.00 0.00 C ATOM 1225 O VAL A 72 8.850 2.043 -4.679 1.00 0.00 O ATOM 1226 CB VAL A 72 8.534 2.891 -7.818 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.142 1.510 -7.826 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.044 2.810 -8.124 1.00 0.00 C ATOM 0 H VAL A 72 10.752 3.067 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 72 8.349 4.633 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 72 9.009 3.478 -8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.918 1.019 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.222 1.587 -7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.725 0.924 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.894 2.276 -9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.535 2.280 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.635 3.817 -8.210 1.00 0.00 H new ATOM 1238 N VAL A 73 7.045 3.309 -4.923 1.00 0.00 N ATOM 1239 CA VAL A 73 6.286 2.703 -3.884 1.00 0.00 C ATOM 1240 C VAL A 73 5.318 1.716 -4.534 1.00 0.00 C ATOM 1241 O VAL A 73 4.475 2.103 -5.344 1.00 0.00 O ATOM 1242 CB VAL A 73 5.515 3.786 -3.098 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.643 3.175 -2.034 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.482 4.788 -2.482 1.00 0.00 C ATOM 0 H VAL A 73 6.569 4.095 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 73 6.936 2.181 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 73 4.867 4.310 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.114 3.964 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.920 2.503 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.262 2.614 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.921 5.544 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.158 4.270 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.060 5.268 -3.271 1.00 0.00 H new ATOM 1254 N PHE A 74 5.461 0.470 -4.207 1.00 0.00 N ATOM 1255 CA PHE A 74 4.691 -0.583 -4.823 1.00 0.00 C ATOM 1256 C PHE A 74 3.664 -1.132 -3.847 1.00 0.00 C ATOM 1257 O PHE A 74 4.020 -1.654 -2.788 1.00 0.00 O ATOM 1258 CB PHE A 74 5.648 -1.693 -5.283 1.00 0.00 C ATOM 1259 CG PHE A 74 4.995 -2.870 -5.954 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.591 -2.794 -7.272 1.00 0.00 C ATOM 1261 CD2 PHE A 74 4.809 -4.062 -5.268 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.015 -3.878 -7.896 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.230 -5.150 -5.886 1.00 0.00 C ATOM 1264 CZ PHE A 74 3.835 -5.056 -7.204 1.00 0.00 C ATOM 0 H PHE A 74 6.120 0.144 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 74 4.153 -0.187 -5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.375 -1.261 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.204 -2.052 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.728 -1.874 -7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.122 -4.138 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.704 -3.805 -8.928 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.087 -6.071 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.384 -5.906 -7.694 1.00 0.00 H new ATOM 1274 N VAL A 75 2.402 -0.998 -4.188 1.00 0.00 N ATOM 1275 CA VAL A 75 1.333 -1.529 -3.371 1.00 0.00 C ATOM 1276 C VAL A 75 1.248 -3.023 -3.599 1.00 0.00 C ATOM 1277 O VAL A 75 1.040 -3.475 -4.732 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.034 -0.867 -3.708 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.171 -1.466 -2.878 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.041 0.639 -3.502 1.00 0.00 C ATOM 0 H VAL A 75 2.089 -0.521 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 75 1.553 -1.311 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.251 -1.069 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.110 -0.978 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.247 -2.534 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.967 -1.313 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.923 1.088 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.292 0.852 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.808 1.058 -4.154 1.00 0.00 H new ATOM 1290 N ILE A 76 1.406 -3.777 -2.534 1.00 0.00 N ATOM 1291 CA ILE A 76 1.391 -5.218 -2.629 1.00 0.00 C ATOM 1292 C ILE A 76 -0.019 -5.717 -2.384 1.00 0.00 C ATOM 1293 O ILE A 76 -0.510 -6.616 -3.062 1.00 0.00 O ATOM 1294 CB ILE A 76 2.330 -5.884 -1.572 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.751 -5.287 -1.621 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.391 -7.397 -1.812 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.689 -5.824 -0.539 1.00 0.00 C ATOM 0 H ILE A 76 1.547 -3.415 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 76 1.743 -5.485 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 76 1.918 -5.685 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.186 -5.492 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.682 -4.204 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.047 -7.857 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.391 -7.820 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.779 -7.591 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.668 -5.356 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.278 -5.596 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.790 -6.904 -0.648 1.00 0.00 H new ATOM 1309 N SER A 77 -0.679 -5.132 -1.408 1.00 0.00 N ATOM 1310 CA SER A 77 -1.995 -5.568 -1.037 1.00 0.00 C ATOM 1311 C SER A 77 -2.823 -4.417 -0.518 1.00 0.00 C ATOM 1312 O SER A 77 -2.288 -3.428 0.002 1.00 0.00 O ATOM 1313 CB SER A 77 -1.889 -6.646 0.030 1.00 0.00 C ATOM 1314 OG SER A 77 -1.141 -7.735 -0.442 1.00 0.00 O ATOM 0 H SER A 77 -0.319 -4.351 -0.859 1.00 0.00 H new ATOM 0 HA SER A 77 -2.488 -5.970 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.420 -6.236 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.886 -6.980 0.318 1.00 0.00 H new ATOM 0 HG SER A 77 -1.748 -8.451 -0.725 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.111 -4.542 -0.662 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.033 -3.566 -0.196 1.00 0.00 C ATOM 1322 C VAL A 78 -6.322 -4.283 0.196 1.00 0.00 C ATOM 1323 O VAL A 78 -6.723 -5.253 -0.459 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.283 -2.462 -1.277 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.882 -3.027 -2.553 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.129 -1.336 -0.732 1.00 0.00 C ATOM 0 H VAL A 78 -4.550 -5.343 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.627 -3.050 0.674 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.306 -2.054 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.036 -2.221 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.203 -3.766 -2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.838 -3.500 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.283 -0.587 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.094 -1.728 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.622 -0.878 0.117 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.909 -3.880 1.284 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.124 -4.485 1.727 1.00 0.00 C ATOM 1338 C GLY A 79 -8.277 -4.378 3.212 1.00 0.00 C ATOM 1339 O GLY A 79 -8.375 -3.293 3.747 1.00 0.00 O ATOM 0 H GLY A 79 -6.561 -3.130 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.971 -4.005 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.138 -5.534 1.433 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.262 -5.486 3.886 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.451 -5.514 5.320 1.00 0.00 C ATOM 1345 C LYS A 80 -7.310 -6.295 5.950 1.00 0.00 C ATOM 1346 O LYS A 80 -6.701 -7.128 5.281 1.00 0.00 O ATOM 1347 CB LYS A 80 -9.831 -6.088 5.632 1.00 0.00 C ATOM 1348 CG LYS A 80 -10.949 -5.197 5.095 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.330 -5.798 5.229 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.742 -6.005 6.669 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.142 -6.466 6.759 1.00 0.00 N ATOM 0 H LYS A 80 -8.119 -6.404 3.465 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.425 -4.512 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.918 -7.083 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.942 -6.201 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.926 -4.244 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.757 -4.984 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.054 -5.147 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.357 -6.755 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.084 -6.737 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.626 -5.073 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.400 -6.600 7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.770 -5.755 6.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.244 -7.368 6.251 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.009 -6.044 7.214 1.00 0.00 N ATOM 1366 CA ALA A 81 -5.786 -6.593 7.797 1.00 0.00 C ATOM 1367 C ALA A 81 -5.992 -7.296 9.132 1.00 0.00 C ATOM 1368 O ALA A 81 -5.027 -7.747 9.747 1.00 0.00 O ATOM 1369 CB ALA A 81 -4.761 -5.486 7.949 1.00 0.00 C ATOM 0 H ALA A 81 -7.576 -5.479 7.846 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.433 -7.360 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.848 -5.893 8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.539 -5.059 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.159 -4.709 8.602 1.00 0.00 H new ATOM 1375 N GLU A 82 -7.220 -7.448 9.558 1.00 0.00 N ATOM 1376 CA GLU A 82 -7.491 -8.071 10.849 1.00 0.00 C ATOM 1377 C GLU A 82 -7.386 -9.588 10.781 1.00 0.00 C ATOM 1378 O GLU A 82 -7.311 -10.258 11.804 1.00 0.00 O ATOM 1379 CB GLU A 82 -8.829 -7.612 11.497 1.00 0.00 C ATOM 1380 CG GLU A 82 -10.087 -7.785 10.653 1.00 0.00 C ATOM 1381 CD GLU A 82 -10.158 -6.817 9.506 1.00 0.00 C ATOM 1382 OE1 GLU A 82 -9.599 -7.110 8.448 1.00 0.00 O ATOM 1383 OE2 GLU A 82 -10.730 -5.733 9.664 1.00 0.00 O ATOM 0 H GLU A 82 -8.049 -7.155 9.042 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.705 -7.715 11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.964 -8.163 12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.737 -6.558 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.121 -8.803 10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.964 -7.655 11.287 1.00 0.00 H new ATOM 1390 N ALA A 83 -7.393 -10.126 9.579 1.00 0.00 N ATOM 1391 CA ALA A 83 -7.199 -11.553 9.391 1.00 0.00 C ATOM 1392 C ALA A 83 -5.763 -11.818 8.951 1.00 0.00 C ATOM 1393 O ALA A 83 -5.353 -12.953 8.776 1.00 0.00 O ATOM 1394 CB ALA A 83 -8.193 -12.098 8.376 1.00 0.00 C ATOM 0 H ALA A 83 -7.531 -9.599 8.717 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.376 -12.068 10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.032 -13.169 8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.209 -11.923 8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.051 -11.593 7.420 1.00 0.00 H new ATOM 1400 N SER A 84 -5.015 -10.723 8.774 1.00 0.00 N ATOM 1401 CA SER A 84 -3.601 -10.728 8.383 1.00 0.00 C ATOM 1402 C SER A 84 -3.343 -11.324 6.976 1.00 0.00 C ATOM 1403 O SER A 84 -2.193 -11.560 6.586 1.00 0.00 O ATOM 1404 CB SER A 84 -2.745 -11.415 9.453 1.00 0.00 C ATOM 1405 OG SER A 84 -2.888 -10.747 10.702 1.00 0.00 O ATOM 0 H SER A 84 -5.387 -9.782 8.903 1.00 0.00 H new ATOM 0 HA SER A 84 -3.300 -9.683 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.045 -12.458 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.698 -11.412 9.149 1.00 0.00 H new ATOM 0 HG SER A 84 -2.338 -11.196 11.378 1.00 0.00 H new ATOM 1411 N GLU A 85 -4.394 -11.458 6.194 1.00 0.00 N ATOM 1412 CA GLU A 85 -4.331 -12.064 4.874 1.00 0.00 C ATOM 1413 C GLU A 85 -3.518 -11.224 3.891 1.00 0.00 C ATOM 1414 O GLU A 85 -2.911 -11.754 2.955 1.00 0.00 O ATOM 1415 CB GLU A 85 -5.733 -12.317 4.359 1.00 0.00 C ATOM 1416 CG GLU A 85 -6.543 -13.238 5.259 1.00 0.00 C ATOM 1417 CD GLU A 85 -5.926 -14.607 5.402 1.00 0.00 C ATOM 1418 OE1 GLU A 85 -5.020 -14.793 6.234 1.00 0.00 O ATOM 1419 OE2 GLU A 85 -6.340 -15.531 4.682 1.00 0.00 O ATOM 0 H GLU A 85 -5.329 -11.146 6.458 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.811 -13.017 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.254 -11.365 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.674 -12.753 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.639 -12.783 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.550 -13.339 4.855 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.498 -9.922 4.105 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.710 -9.024 3.261 1.00 0.00 C ATOM 1428 C VAL A 86 -1.210 -9.167 3.544 1.00 0.00 C ATOM 1429 O VAL A 86 -0.374 -8.862 2.704 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.146 -7.532 3.389 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.545 -7.334 2.827 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.094 -7.067 4.840 1.00 0.00 C ATOM 0 H VAL A 86 -4.014 -9.457 4.852 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.905 -9.328 2.233 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.445 -6.929 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.832 -6.287 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.558 -7.617 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.250 -7.956 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.403 -6.023 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.765 -7.679 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.076 -7.166 5.218 1.00 0.00 H new ATOM 1442 N TYR A 87 -0.875 -9.683 4.715 1.00 0.00 N ATOM 1443 CA TYR A 87 0.521 -9.859 5.076 1.00 0.00 C ATOM 1444 C TYR A 87 1.037 -11.123 4.443 1.00 0.00 C ATOM 1445 O TYR A 87 2.222 -11.252 4.192 1.00 0.00 O ATOM 1446 CB TYR A 87 0.725 -9.905 6.594 1.00 0.00 C ATOM 1447 CG TYR A 87 0.258 -8.662 7.318 1.00 0.00 C ATOM 1448 CD1 TYR A 87 -1.071 -8.498 7.628 1.00 0.00 C ATOM 1449 CD2 TYR A 87 1.143 -7.657 7.681 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -1.526 -7.385 8.280 1.00 0.00 C ATOM 1451 CE2 TYR A 87 0.697 -6.527 8.341 1.00 0.00 C ATOM 1452 CZ TYR A 87 -0.644 -6.399 8.639 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.104 -5.274 9.284 1.00 0.00 O ATOM 0 H TYR A 87 -1.543 -9.984 5.425 1.00 0.00 H new ATOM 0 HA TYR A 87 1.078 -8.998 4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.193 -10.768 6.995 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.784 -10.058 6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.775 -9.268 7.349 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.192 -7.759 7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.576 -7.283 8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.393 -5.750 8.621 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.352 -4.673 9.470 1.00 0.00 H new ATOM 1463 N SER A 88 0.120 -12.041 4.154 1.00 0.00 N ATOM 1464 CA SER A 88 0.450 -13.285 3.494 1.00 0.00 C ATOM 1465 C SER A 88 0.994 -13.002 2.079 1.00 0.00 C ATOM 1466 O SER A 88 1.906 -13.680 1.603 1.00 0.00 O ATOM 1467 CB SER A 88 -0.789 -14.182 3.459 1.00 0.00 C ATOM 1468 OG SER A 88 -1.316 -14.346 4.782 1.00 0.00 O ATOM 0 H SER A 88 -0.871 -11.937 4.374 1.00 0.00 H new ATOM 0 HA SER A 88 1.232 -13.807 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.547 -13.744 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.532 -15.154 3.038 1.00 0.00 H new ATOM 0 HG SER A 88 -2.110 -14.920 4.749 1.00 0.00 H new ATOM 1474 N GLU A 89 0.447 -11.977 1.434 1.00 0.00 N ATOM 1475 CA GLU A 89 0.956 -11.529 0.152 1.00 0.00 C ATOM 1476 C GLU A 89 2.283 -10.837 0.333 1.00 0.00 C ATOM 1477 O GLU A 89 3.262 -11.185 -0.310 1.00 0.00 O ATOM 1478 CB GLU A 89 -0.015 -10.578 -0.525 1.00 0.00 C ATOM 1479 CG GLU A 89 -1.191 -11.234 -1.201 1.00 0.00 C ATOM 1480 CD GLU A 89 -0.752 -12.080 -2.365 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -0.017 -11.576 -3.240 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -1.098 -13.286 -2.412 1.00 0.00 O ATOM 0 H GLU A 89 -0.349 -11.443 1.782 1.00 0.00 H new ATOM 0 HA GLU A 89 1.081 -12.408 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.390 -9.876 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.531 -9.994 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.728 -11.852 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.887 -10.470 -1.547 1.00 0.00 H new ATOM 1489 N ALA A 90 2.311 -9.894 1.259 1.00 0.00 N ATOM 1490 CA ALA A 90 3.485 -9.085 1.528 1.00 0.00 C ATOM 1491 C ALA A 90 4.728 -9.920 1.848 1.00 0.00 C ATOM 1492 O ALA A 90 5.768 -9.756 1.213 1.00 0.00 O ATOM 1493 CB ALA A 90 3.194 -8.092 2.643 1.00 0.00 C ATOM 0 H ALA A 90 1.511 -9.667 1.850 1.00 0.00 H new ATOM 0 HA ALA A 90 3.713 -8.540 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.082 -7.491 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.373 -7.440 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.918 -8.632 3.549 1.00 0.00 H new ATOM 1499 N VAL A 91 4.604 -10.844 2.788 1.00 0.00 N ATOM 1500 CA VAL A 91 5.745 -11.632 3.236 1.00 0.00 C ATOM 1501 C VAL A 91 6.269 -12.575 2.122 1.00 0.00 C ATOM 1502 O VAL A 91 7.483 -12.718 1.933 1.00 0.00 O ATOM 1503 CB VAL A 91 5.431 -12.413 4.562 1.00 0.00 C ATOM 1504 CG1 VAL A 91 4.418 -13.540 4.369 1.00 0.00 C ATOM 1505 CG2 VAL A 91 6.698 -12.916 5.225 1.00 0.00 C ATOM 0 H VAL A 91 3.726 -11.068 3.256 1.00 0.00 H new ATOM 0 HA VAL A 91 6.547 -10.930 3.462 1.00 0.00 H new ATOM 0 HB VAL A 91 4.962 -11.693 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.244 -14.040 5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.479 -13.126 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.806 -14.259 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.442 -13.451 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.222 -13.588 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.342 -12.071 5.468 1.00 0.00 H new ATOM 1515 N LYS A 92 5.355 -13.145 1.343 1.00 0.00 N ATOM 1516 CA LYS A 92 5.719 -14.068 0.264 1.00 0.00 C ATOM 1517 C LYS A 92 6.252 -13.333 -0.956 1.00 0.00 C ATOM 1518 O LYS A 92 7.011 -13.901 -1.759 1.00 0.00 O ATOM 1519 CB LYS A 92 4.523 -14.937 -0.140 1.00 0.00 C ATOM 1520 CG LYS A 92 4.150 -16.035 0.850 1.00 0.00 C ATOM 1521 CD LYS A 92 5.230 -17.109 0.918 1.00 0.00 C ATOM 1522 CE LYS A 92 4.790 -18.297 1.761 1.00 0.00 C ATOM 1523 NZ LYS A 92 4.597 -17.951 3.182 1.00 0.00 N ATOM 0 H LYS A 92 4.352 -12.985 1.436 1.00 0.00 H new ATOM 0 HA LYS A 92 6.513 -14.707 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.657 -14.290 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.739 -15.398 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.003 -15.601 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.203 -16.487 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.471 -17.447 -0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.141 -16.683 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.859 -18.696 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.536 -19.088 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.331 -18.804 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.482 -17.564 3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.842 -17.241 3.267 1.00 0.00 H new ATOM 1537 N ARG A 93 5.867 -12.087 -1.098 1.00 0.00 N ATOM 1538 CA ARG A 93 6.257 -11.306 -2.245 1.00 0.00 C ATOM 1539 C ARG A 93 7.692 -10.824 -2.103 1.00 0.00 C ATOM 1540 O ARG A 93 8.397 -10.624 -3.104 1.00 0.00 O ATOM 1541 CB ARG A 93 5.336 -10.103 -2.411 1.00 0.00 C ATOM 1542 CG ARG A 93 5.468 -9.415 -3.753 1.00 0.00 C ATOM 1543 CD ARG A 93 4.921 -10.293 -4.872 1.00 0.00 C ATOM 1544 NE ARG A 93 3.481 -10.522 -4.705 1.00 0.00 N ATOM 1545 CZ ARG A 93 2.547 -9.988 -5.493 1.00 0.00 C ATOM 1546 NH1 ARG A 93 2.905 -9.432 -6.652 1.00 0.00 N ATOM 1547 NH2 ARG A 93 1.252 -10.068 -5.170 1.00 0.00 N ATOM 0 H ARG A 93 5.280 -11.591 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 93 6.179 -11.943 -3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.303 -10.426 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.548 -9.383 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.931 -8.467 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.516 -9.184 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.108 -9.819 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.446 -11.248 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 93 3.177 -11.125 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.887 -9.418 -6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.197 -9.021 -7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.969 -10.542 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.547 -9.655 -5.781 1.00 0.00 H new ATOM 1561 N ILE A 94 8.131 -10.649 -0.869 1.00 0.00 N ATOM 1562 CA ILE A 94 9.458 -10.133 -0.617 1.00 0.00 C ATOM 1563 C ILE A 94 10.526 -11.227 -0.748 1.00 0.00 C ATOM 1564 O ILE A 94 10.917 -11.870 0.247 1.00 0.00 O ATOM 1565 CB ILE A 94 9.588 -9.410 0.758 1.00 0.00 C ATOM 1566 CG1 ILE A 94 8.513 -8.313 0.918 1.00 0.00 C ATOM 1567 CG2 ILE A 94 10.974 -8.796 0.904 1.00 0.00 C ATOM 1568 CD1 ILE A 94 8.543 -7.225 -0.142 1.00 0.00 C ATOM 0 H ILE A 94 7.588 -10.857 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 94 9.629 -9.382 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 94 9.438 -10.154 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.530 -8.784 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.632 -7.849 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.050 -8.295 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.728 -9.581 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.137 -8.073 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 94 7.751 -6.502 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 94 9.509 -6.721 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.390 -7.670 -1.125 1.00 0.00 H new ATOM 1580 N LEU A 95 10.857 -11.500 -1.995 1.00 0.00 N ATOM 1581 CA LEU A 95 11.906 -12.344 -2.461 1.00 0.00 C ATOM 1582 C LEU A 95 11.616 -12.473 -3.945 1.00 0.00 C ATOM 1583 O LEU A 95 11.999 -11.575 -4.708 1.00 0.00 O ATOM 1584 CB LEU A 95 11.856 -13.720 -1.799 1.00 0.00 C ATOM 1585 CG LEU A 95 13.144 -14.548 -1.779 1.00 0.00 C ATOM 1586 CD1 LEU A 95 13.693 -14.876 -3.168 1.00 0.00 C ATOM 1587 CD2 LEU A 95 14.209 -13.906 -0.901 1.00 0.00 C ATOM 1588 OXT LEU A 95 10.887 -13.414 -4.333 1.00 0.00 O ATOM 0 H LEU A 95 10.339 -11.089 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 95 12.893 -11.940 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.529 -13.584 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.088 -14.307 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 95 12.866 -15.505 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.605 -15.464 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.952 -15.448 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.914 -13.951 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 95 15.109 -14.522 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.445 -12.913 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.837 -13.824 0.120 1.00 0.00 H new TER 1600 LEU A 95