USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 42 ASN : amide:sc= 0.655 K(o=1.5,f=-4.4) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -134:sc= 0.841 (180deg=0) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 47 MET CE :methyl -158:sc= -0.174 (180deg=-0.726) USER MOD Set 3.2: A 50 CYS SG : rot 30:sc= -0.596 USER MOD Set 4.1: A 25 GLN : amide:sc= 0.961 K(o=2.2,f=-6.4!) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 177:sc= 1.19 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -172:sc=-0.00333 (180deg=-0.101) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 1.05 (180deg=0.236) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= 1.23 (180deg=0.841) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.13 (180deg=0.339) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0.524 (180deg=0.441) USER MOD Single : A 57 SER OG : rot -10:sc= 0.973 USER MOD Single : A 58 SER OG : rot -133:sc= 0.00767 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.86 USER MOD Single : A 65 GLN : amide:sc= -1.03 K(o=-1,f=-0.027) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc=-0.00115 (180deg=-0.0978) USER MOD Single : A 77 SER OG : rot 170:sc= -0.0249 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 165:sc= -0.103 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.308 13.368 -4.517 1.00 0.00 N ATOM 19 CA ALA A 2 8.204 12.464 -4.511 1.00 0.00 C ATOM 20 C ALA A 2 8.650 11.125 -5.045 1.00 0.00 C ATOM 21 O ALA A 2 9.600 11.038 -5.839 1.00 0.00 O ATOM 22 CB ALA A 2 7.057 13.017 -5.343 1.00 0.00 C ATOM 0 HA ALA A 2 7.848 12.340 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.224 12.314 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.734 13.972 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.390 13.162 -6.371 1.00 0.00 H new ATOM 28 N TYR A 3 8.012 10.100 -4.592 1.00 0.00 N ATOM 29 CA TYR A 3 8.286 8.762 -5.038 1.00 0.00 C ATOM 30 C TYR A 3 7.191 8.360 -6.000 1.00 0.00 C ATOM 31 O TYR A 3 6.126 8.973 -6.009 1.00 0.00 O ATOM 32 CB TYR A 3 8.344 7.785 -3.844 1.00 0.00 C ATOM 33 CG TYR A 3 9.458 8.063 -2.831 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.461 9.230 -2.078 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.500 7.155 -2.628 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.444 9.497 -1.160 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.499 7.417 -1.694 1.00 0.00 C ATOM 38 CZ TYR A 3 11.460 8.596 -0.966 1.00 0.00 C ATOM 39 OH TYR A 3 12.432 8.872 -0.028 1.00 0.00 O ATOM 0 H TYR A 3 7.273 10.161 -3.891 1.00 0.00 H new ATOM 0 HA TYR A 3 9.256 8.726 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.386 7.813 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.468 6.773 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.666 9.948 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.531 6.240 -3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.418 10.415 -0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.298 6.707 -1.538 1.00 0.00 H new ATOM 0 HH TYR A 3 13.082 8.139 -0.005 1.00 0.00 H new ATOM 49 N PHE A 4 7.449 7.380 -6.815 1.00 0.00 N ATOM 50 CA PHE A 4 6.464 6.893 -7.767 1.00 0.00 C ATOM 51 C PHE A 4 5.501 5.951 -7.077 1.00 0.00 C ATOM 52 O PHE A 4 5.800 5.448 -6.012 1.00 0.00 O ATOM 53 CB PHE A 4 7.158 6.187 -8.932 1.00 0.00 C ATOM 54 CG PHE A 4 7.948 7.104 -9.813 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.320 7.809 -10.821 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.312 7.260 -9.639 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.031 8.653 -11.641 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.030 8.104 -10.458 1.00 0.00 C ATOM 59 CZ PHE A 4 9.384 8.803 -11.460 1.00 0.00 C ATOM 0 H PHE A 4 8.343 6.889 -6.848 1.00 0.00 H new ATOM 0 HA PHE A 4 5.904 7.741 -8.161 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.822 5.419 -8.535 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.406 5.678 -9.535 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.256 7.696 -10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.818 6.716 -8.855 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.526 9.197 -12.426 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.095 8.219 -10.317 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.944 9.468 -12.101 1.00 0.00 H new ATOM 69 N LEU A 5 4.354 5.732 -7.660 1.00 0.00 N ATOM 70 CA LEU A 5 3.374 4.823 -7.091 1.00 0.00 C ATOM 71 C LEU A 5 3.003 3.786 -8.153 1.00 0.00 C ATOM 72 O LEU A 5 2.673 4.147 -9.297 1.00 0.00 O ATOM 73 CB LEU A 5 2.117 5.625 -6.632 1.00 0.00 C ATOM 74 CG LEU A 5 1.144 4.972 -5.595 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.483 3.706 -6.095 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.843 4.704 -4.281 1.00 0.00 C ATOM 0 H LEU A 5 4.066 6.170 -8.535 1.00 0.00 H new ATOM 0 HA LEU A 5 3.785 4.314 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.463 6.569 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.537 5.867 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 5 0.350 5.703 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.177 3.311 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.098 3.928 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.247 2.966 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.141 4.250 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.680 4.026 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.212 5.642 -3.867 1.00 0.00 H new ATOM 88 N ASP A 6 3.087 2.524 -7.802 1.00 0.00 N ATOM 89 CA ASP A 6 2.708 1.455 -8.712 1.00 0.00 C ATOM 90 C ASP A 6 1.950 0.389 -7.944 1.00 0.00 C ATOM 91 O ASP A 6 2.107 0.266 -6.728 1.00 0.00 O ATOM 92 CB ASP A 6 3.938 0.854 -9.405 1.00 0.00 C ATOM 93 CG ASP A 6 3.577 -0.114 -10.516 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.769 0.260 -11.410 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.104 -1.227 -10.543 1.00 0.00 O ATOM 0 H ASP A 6 3.415 2.206 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 6 2.065 1.866 -9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.547 1.659 -9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.549 0.338 -8.665 1.00 0.00 H new ATOM 100 N PHE A 7 1.130 -0.356 -8.626 1.00 0.00 N ATOM 101 CA PHE A 7 0.301 -1.371 -7.994 1.00 0.00 C ATOM 102 C PHE A 7 0.670 -2.752 -8.497 1.00 0.00 C ATOM 103 O PHE A 7 1.005 -2.929 -9.678 1.00 0.00 O ATOM 104 CB PHE A 7 -1.190 -1.150 -8.305 1.00 0.00 C ATOM 105 CG PHE A 7 -1.802 0.128 -7.795 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.389 0.174 -6.543 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.822 1.269 -8.582 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.981 1.335 -6.083 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.409 2.432 -8.127 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.990 2.465 -6.876 1.00 0.00 C ATOM 0 H PHE A 7 1.008 -0.286 -9.636 1.00 0.00 H new ATOM 0 HA PHE A 7 0.473 -1.293 -6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.321 -1.183 -9.387 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.752 -1.987 -7.890 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.385 -0.707 -5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.372 1.247 -9.564 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.436 1.358 -5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.414 3.315 -8.749 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.451 3.373 -6.518 1.00 0.00 H new ATOM 120 N ASP A 8 0.623 -3.711 -7.616 1.00 0.00 N ATOM 121 CA ASP A 8 0.796 -5.110 -7.971 1.00 0.00 C ATOM 122 C ASP A 8 -0.484 -5.627 -8.613 1.00 0.00 C ATOM 123 O ASP A 8 -1.559 -5.050 -8.397 1.00 0.00 O ATOM 124 CB ASP A 8 1.140 -5.966 -6.747 1.00 0.00 C ATOM 125 CG ASP A 8 1.351 -7.415 -7.118 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.413 -7.751 -7.692 1.00 0.00 O ATOM 127 OD2 ASP A 8 0.440 -8.224 -6.914 1.00 0.00 O ATOM 0 H ASP A 8 0.463 -3.553 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 8 1.627 -5.183 -8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.041 -5.577 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.337 -5.892 -6.014 1.00 0.00 H new ATOM 132 N GLU A 9 -0.372 -6.679 -9.414 1.00 0.00 N ATOM 133 CA GLU A 9 -1.510 -7.290 -10.078 1.00 0.00 C ATOM 134 C GLU A 9 -2.612 -7.652 -9.063 1.00 0.00 C ATOM 135 O GLU A 9 -3.795 -7.481 -9.360 1.00 0.00 O ATOM 136 CB GLU A 9 -1.077 -8.554 -10.841 1.00 0.00 C ATOM 137 CG GLU A 9 -0.500 -9.642 -9.948 1.00 0.00 C ATOM 138 CD GLU A 9 -0.182 -10.911 -10.674 1.00 0.00 C ATOM 139 OE1 GLU A 9 -1.091 -11.727 -10.891 1.00 0.00 O ATOM 140 OE2 GLU A 9 0.987 -11.134 -11.020 1.00 0.00 O ATOM 0 H GLU A 9 0.518 -7.133 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.910 -6.564 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.936 -8.955 -11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.334 -8.279 -11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.408 -9.268 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.210 -9.859 -9.150 1.00 0.00 H new ATOM 147 N ARG A 10 -2.219 -8.106 -7.856 1.00 0.00 N ATOM 148 CA ARG A 10 -3.186 -8.467 -6.822 1.00 0.00 C ATOM 149 C ARG A 10 -3.844 -7.222 -6.300 1.00 0.00 C ATOM 150 O ARG A 10 -5.064 -7.150 -6.177 1.00 0.00 O ATOM 151 CB ARG A 10 -2.531 -9.186 -5.643 1.00 0.00 C ATOM 152 CG ARG A 10 -1.811 -10.473 -5.976 1.00 0.00 C ATOM 153 CD ARG A 10 -1.319 -11.128 -4.700 1.00 0.00 C ATOM 154 NE ARG A 10 -0.534 -12.346 -4.940 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.351 -13.318 -4.033 1.00 0.00 C ATOM 156 NH1 ARG A 10 -1.081 -13.343 -2.920 1.00 0.00 N ATOM 157 NH2 ARG A 10 0.508 -14.304 -4.275 1.00 0.00 N ATOM 0 H ARG A 10 -1.244 -8.228 -7.583 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.911 -9.140 -7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.820 -8.505 -5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.300 -9.403 -4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.481 -11.149 -6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.970 -10.270 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.710 -10.415 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.175 -11.373 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.100 -12.461 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.783 -12.622 -2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.939 -14.084 -2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.029 -14.323 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.645 -15.042 -3.584 1.00 0.00 H new ATOM 171 N ALA A 11 -3.020 -6.219 -6.053 1.00 0.00 N ATOM 172 CA ALA A 11 -3.463 -4.950 -5.511 1.00 0.00 C ATOM 173 C ALA A 11 -4.487 -4.285 -6.411 1.00 0.00 C ATOM 174 O ALA A 11 -5.393 -3.644 -5.929 1.00 0.00 O ATOM 175 CB ALA A 11 -2.283 -4.029 -5.278 1.00 0.00 C ATOM 0 H ALA A 11 -2.016 -6.265 -6.225 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.945 -5.151 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.636 -3.081 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.593 -4.493 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.770 -3.849 -6.223 1.00 0.00 H new ATOM 181 N LEU A 12 -4.360 -4.487 -7.716 1.00 0.00 N ATOM 182 CA LEU A 12 -5.282 -3.900 -8.672 1.00 0.00 C ATOM 183 C LEU A 12 -6.648 -4.535 -8.591 1.00 0.00 C ATOM 184 O LEU A 12 -7.667 -3.854 -8.704 1.00 0.00 O ATOM 185 CB LEU A 12 -4.735 -4.001 -10.083 1.00 0.00 C ATOM 186 CG LEU A 12 -3.628 -3.021 -10.447 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.077 -3.350 -11.820 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.165 -1.589 -10.430 1.00 0.00 C ATOM 0 H LEU A 12 -3.624 -5.055 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.388 -2.846 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.359 -5.013 -10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.560 -3.860 -10.781 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.827 -3.106 -9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.286 -2.644 -12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.673 -4.362 -11.817 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.875 -3.280 -12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.364 -0.897 -10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.976 -1.496 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.538 -1.352 -9.434 1.00 0.00 H new ATOM 200 N LYS A 13 -6.663 -5.824 -8.355 1.00 0.00 N ATOM 201 CA LYS A 13 -7.902 -6.575 -8.258 1.00 0.00 C ATOM 202 C LYS A 13 -8.634 -6.132 -7.009 1.00 0.00 C ATOM 203 O LYS A 13 -9.838 -5.861 -7.035 1.00 0.00 O ATOM 204 CB LYS A 13 -7.589 -8.061 -8.157 1.00 0.00 C ATOM 205 CG LYS A 13 -6.722 -8.577 -9.279 1.00 0.00 C ATOM 206 CD LYS A 13 -6.228 -9.971 -8.983 1.00 0.00 C ATOM 207 CE LYS A 13 -5.241 -10.457 -10.033 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.808 -10.445 -11.400 1.00 0.00 N ATOM 0 H LYS A 13 -5.822 -6.386 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.517 -6.397 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.091 -8.254 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.525 -8.620 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.289 -8.578 -10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.873 -7.909 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.752 -9.987 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.076 -10.655 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.351 -9.828 -10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.923 -11.470 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.147 -10.910 -12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.715 -10.955 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.962 -9.462 -11.703 1.00 0.00 H new ATOM 222 N GLU A 14 -7.879 -6.000 -5.932 1.00 0.00 N ATOM 223 CA GLU A 14 -8.413 -5.577 -4.671 1.00 0.00 C ATOM 224 C GLU A 14 -8.870 -4.131 -4.738 1.00 0.00 C ATOM 225 O GLU A 14 -9.900 -3.796 -4.211 1.00 0.00 O ATOM 226 CB GLU A 14 -7.378 -5.768 -3.577 1.00 0.00 C ATOM 227 CG GLU A 14 -6.887 -7.196 -3.465 1.00 0.00 C ATOM 228 CD GLU A 14 -8.008 -8.166 -3.212 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.409 -8.351 -2.052 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.532 -8.746 -4.161 1.00 0.00 O ATOM 0 H GLU A 14 -6.876 -6.186 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.283 -6.191 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.529 -5.112 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.806 -5.462 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.370 -7.473 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.160 -7.266 -2.656 1.00 0.00 H new ATOM 237 N TRP A 15 -8.105 -3.307 -5.426 1.00 0.00 N ATOM 238 CA TRP A 15 -8.396 -1.884 -5.607 1.00 0.00 C ATOM 239 C TRP A 15 -9.742 -1.710 -6.337 1.00 0.00 C ATOM 240 O TRP A 15 -10.547 -0.828 -6.008 1.00 0.00 O ATOM 241 CB TRP A 15 -7.238 -1.258 -6.402 1.00 0.00 C ATOM 242 CG TRP A 15 -7.261 0.222 -6.558 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.585 0.921 -7.679 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.911 1.189 -5.565 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.463 2.266 -7.442 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.051 2.456 -6.151 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.495 1.105 -4.232 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.788 3.630 -5.457 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.237 2.271 -3.547 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.383 3.516 -4.159 1.00 0.00 C ATOM 0 H TRP A 15 -7.245 -3.606 -5.887 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.483 -1.382 -4.644 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.302 -1.535 -5.916 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.226 -1.705 -7.396 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.893 0.482 -8.616 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.649 3.006 -8.119 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.379 0.145 -3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.900 4.596 -5.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.916 2.221 -2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.171 4.410 -3.592 1.00 0.00 H new ATOM 261 N ARG A 16 -9.991 -2.578 -7.296 1.00 0.00 N ATOM 262 CA ARG A 16 -11.247 -2.578 -8.026 1.00 0.00 C ATOM 263 C ARG A 16 -12.376 -3.117 -7.154 1.00 0.00 C ATOM 264 O ARG A 16 -13.491 -2.611 -7.189 1.00 0.00 O ATOM 265 CB ARG A 16 -11.119 -3.417 -9.289 1.00 0.00 C ATOM 266 CG ARG A 16 -10.232 -2.805 -10.355 1.00 0.00 C ATOM 267 CD ARG A 16 -9.965 -3.784 -11.486 1.00 0.00 C ATOM 268 NE ARG A 16 -11.199 -4.354 -12.049 1.00 0.00 N ATOM 269 CZ ARG A 16 -11.573 -4.286 -13.335 1.00 0.00 C ATOM 270 NH1 ARG A 16 -10.914 -3.502 -14.191 1.00 0.00 N ATOM 271 NH2 ARG A 16 -12.631 -4.968 -13.753 1.00 0.00 N ATOM 0 H ARG A 16 -9.334 -3.300 -7.592 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.484 -1.551 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.724 -4.397 -9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.113 -3.577 -9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.706 -1.908 -10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.287 -2.495 -9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.411 -3.277 -12.276 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.331 -4.592 -11.120 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.823 -4.842 -11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.120 -2.949 -13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.205 -3.456 -15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.159 -5.543 -13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.917 -4.917 -14.731 1.00 0.00 H new ATOM 285 N LYS A 17 -12.061 -4.116 -6.359 1.00 0.00 N ATOM 286 CA LYS A 17 -13.017 -4.769 -5.462 1.00 0.00 C ATOM 287 C LYS A 17 -13.326 -3.878 -4.229 1.00 0.00 C ATOM 288 O LYS A 17 -14.312 -4.089 -3.500 1.00 0.00 O ATOM 289 CB LYS A 17 -12.457 -6.184 -5.109 1.00 0.00 C ATOM 290 CG LYS A 17 -13.258 -7.066 -4.137 1.00 0.00 C ATOM 291 CD LYS A 17 -12.938 -6.782 -2.665 1.00 0.00 C ATOM 292 CE LYS A 17 -11.473 -7.084 -2.317 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.094 -8.496 -2.579 1.00 0.00 N ATOM 0 H LYS A 17 -11.122 -4.511 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.984 -4.905 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.342 -6.737 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.459 -6.051 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.323 -6.910 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.051 -8.114 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.153 -5.737 -2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.591 -7.383 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.825 -6.426 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.301 -6.856 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.142 -8.676 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.775 -9.130 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.099 -8.672 -3.604 1.00 0.00 H new ATOM 307 N LEU A 18 -12.485 -2.901 -4.007 1.00 0.00 N ATOM 308 CA LEU A 18 -12.695 -1.939 -2.958 1.00 0.00 C ATOM 309 C LEU A 18 -13.762 -0.957 -3.351 1.00 0.00 C ATOM 310 O LEU A 18 -13.946 -0.661 -4.543 1.00 0.00 O ATOM 311 CB LEU A 18 -11.416 -1.170 -2.616 1.00 0.00 C ATOM 312 CG LEU A 18 -10.753 -1.485 -1.269 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.724 -1.311 -0.125 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.123 -2.865 -1.246 1.00 0.00 C ATOM 0 H LEU A 18 -11.634 -2.750 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.007 -2.499 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.687 -1.357 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.645 -0.105 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.946 -0.764 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.223 -1.542 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.080 -0.281 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.570 -1.985 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.667 -3.041 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.890 -3.618 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.359 -2.929 -2.021 1.00 0.00 H new ATOM 326 N GLY A 19 -14.463 -0.468 -2.357 1.00 0.00 N ATOM 327 CA GLY A 19 -15.466 0.520 -2.561 1.00 0.00 C ATOM 328 C GLY A 19 -14.859 1.792 -3.077 1.00 0.00 C ATOM 329 O GLY A 19 -13.786 2.193 -2.601 1.00 0.00 O ATOM 0 H GLY A 19 -14.345 -0.752 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.208 0.152 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.988 0.714 -1.624 1.00 0.00 H new ATOM 333 N SER A 20 -15.531 2.424 -4.025 1.00 0.00 N ATOM 334 CA SER A 20 -15.070 3.642 -4.672 1.00 0.00 C ATOM 335 C SER A 20 -14.671 4.699 -3.642 1.00 0.00 C ATOM 336 O SER A 20 -13.592 5.251 -3.701 1.00 0.00 O ATOM 337 CB SER A 20 -16.185 4.169 -5.564 1.00 0.00 C ATOM 338 OG SER A 20 -16.644 3.142 -6.438 1.00 0.00 O ATOM 0 H SER A 20 -16.432 2.098 -4.374 1.00 0.00 H new ATOM 0 HA SER A 20 -14.186 3.418 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.011 4.531 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.825 5.017 -6.146 1.00 0.00 H new ATOM 0 HG SER A 20 -17.362 3.492 -7.006 1.00 0.00 H new ATOM 344 N THR A 21 -15.514 4.881 -2.664 1.00 0.00 N ATOM 345 CA THR A 21 -15.319 5.858 -1.617 1.00 0.00 C ATOM 346 C THR A 21 -14.061 5.543 -0.796 1.00 0.00 C ATOM 347 O THR A 21 -13.248 6.427 -0.512 1.00 0.00 O ATOM 348 CB THR A 21 -16.547 5.849 -0.706 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.718 6.058 -1.520 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.453 6.929 0.357 1.00 0.00 C ATOM 0 H THR A 21 -16.376 4.345 -2.566 1.00 0.00 H new ATOM 0 HA THR A 21 -15.188 6.842 -2.068 1.00 0.00 H new ATOM 0 HB THR A 21 -16.606 4.889 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.516 6.053 -0.952 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.341 6.896 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.567 6.761 0.969 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.384 7.906 -0.122 1.00 0.00 H new ATOM 358 N VAL A 22 -13.895 4.274 -0.480 1.00 0.00 N ATOM 359 CA VAL A 22 -12.786 3.811 0.328 1.00 0.00 C ATOM 360 C VAL A 22 -11.492 3.966 -0.443 1.00 0.00 C ATOM 361 O VAL A 22 -10.508 4.510 0.068 1.00 0.00 O ATOM 362 CB VAL A 22 -12.970 2.329 0.722 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.811 1.843 1.569 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.281 2.129 1.457 1.00 0.00 C ATOM 0 H VAL A 22 -14.529 3.532 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.752 4.412 1.236 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.992 1.740 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.966 0.797 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.883 1.942 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.749 2.441 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.391 1.078 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.288 2.737 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.108 2.427 0.813 1.00 0.00 H new ATOM 374 N ARG A 23 -11.509 3.529 -1.685 1.00 0.00 N ATOM 375 CA ARG A 23 -10.351 3.629 -2.523 1.00 0.00 C ATOM 376 C ARG A 23 -9.999 5.071 -2.837 1.00 0.00 C ATOM 377 O ARG A 23 -8.854 5.373 -3.032 1.00 0.00 O ATOM 378 CB ARG A 23 -10.404 2.764 -3.771 1.00 0.00 C ATOM 379 CG ARG A 23 -11.552 3.037 -4.695 1.00 0.00 C ATOM 380 CD ARG A 23 -11.316 2.364 -6.015 1.00 0.00 C ATOM 381 NE ARG A 23 -12.366 2.666 -6.985 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.079 1.757 -7.663 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.982 0.456 -7.371 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.908 2.157 -8.613 1.00 0.00 N ATOM 0 H ARG A 23 -12.320 3.100 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.535 3.213 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.475 2.898 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.446 1.718 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.480 2.675 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.666 4.111 -4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.353 2.680 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.261 1.286 -5.866 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.573 3.649 -7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.360 0.146 -6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.530 -0.226 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.000 3.151 -8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.455 1.472 -9.134 1.00 0.00 H new ATOM 398 N GLU A 24 -10.993 5.945 -2.965 1.00 0.00 N ATOM 399 CA GLU A 24 -10.721 7.372 -3.147 1.00 0.00 C ATOM 400 C GLU A 24 -9.949 7.934 -1.974 1.00 0.00 C ATOM 401 O GLU A 24 -9.013 8.709 -2.164 1.00 0.00 O ATOM 402 CB GLU A 24 -11.993 8.179 -3.368 1.00 0.00 C ATOM 403 CG GLU A 24 -12.632 7.939 -4.709 1.00 0.00 C ATOM 404 CD GLU A 24 -11.710 8.284 -5.842 1.00 0.00 C ATOM 405 OE1 GLU A 24 -11.603 9.471 -6.198 1.00 0.00 O ATOM 406 OE2 GLU A 24 -11.058 7.380 -6.394 1.00 0.00 O ATOM 0 H GLU A 24 -11.982 5.698 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.112 7.459 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.710 7.934 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.762 9.240 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.927 6.893 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.542 8.534 -4.788 1.00 0.00 H new ATOM 413 N GLN A 25 -10.318 7.522 -0.768 1.00 0.00 N ATOM 414 CA GLN A 25 -9.626 7.976 0.432 1.00 0.00 C ATOM 415 C GLN A 25 -8.198 7.443 0.416 1.00 0.00 C ATOM 416 O GLN A 25 -7.246 8.180 0.645 1.00 0.00 O ATOM 417 CB GLN A 25 -10.329 7.494 1.707 1.00 0.00 C ATOM 418 CG GLN A 25 -11.779 7.847 1.835 1.00 0.00 C ATOM 419 CD GLN A 25 -12.051 9.305 1.735 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.230 10.160 2.112 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.176 9.614 1.211 1.00 0.00 N ATOM 0 H GLN A 25 -11.089 6.877 -0.595 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.630 9.066 0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.234 6.410 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.799 7.904 2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.340 7.328 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.149 7.482 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.820 8.880 0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.429 10.594 1.088 1.00 0.00 H new ATOM 430 N LEU A 26 -8.069 6.162 0.112 1.00 0.00 N ATOM 431 CA LEU A 26 -6.773 5.495 0.021 1.00 0.00 C ATOM 432 C LEU A 26 -5.908 6.123 -1.069 1.00 0.00 C ATOM 433 O LEU A 26 -4.714 6.308 -0.888 1.00 0.00 O ATOM 434 CB LEU A 26 -6.971 4.005 -0.245 1.00 0.00 C ATOM 435 CG LEU A 26 -7.660 3.212 0.875 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.969 1.801 0.419 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.789 3.179 2.125 1.00 0.00 C ATOM 0 H LEU A 26 -8.862 5.550 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.254 5.619 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.557 3.893 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.996 3.556 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.597 3.713 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.457 1.256 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.630 1.835 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.042 1.295 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.295 2.612 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.836 2.704 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.612 4.197 2.472 1.00 0.00 H new ATOM 449 N LYS A 27 -6.535 6.449 -2.190 1.00 0.00 N ATOM 450 CA LYS A 27 -5.879 7.126 -3.304 1.00 0.00 C ATOM 451 C LYS A 27 -5.272 8.442 -2.837 1.00 0.00 C ATOM 452 O LYS A 27 -4.131 8.744 -3.161 1.00 0.00 O ATOM 453 CB LYS A 27 -6.901 7.427 -4.395 1.00 0.00 C ATOM 454 CG LYS A 27 -6.322 8.104 -5.627 1.00 0.00 C ATOM 455 CD LYS A 27 -7.412 8.670 -6.525 1.00 0.00 C ATOM 456 CE LYS A 27 -8.058 9.906 -5.896 1.00 0.00 C ATOM 457 NZ LYS A 27 -9.157 10.446 -6.723 1.00 0.00 N ATOM 0 H LYS A 27 -7.522 6.250 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.094 6.475 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.377 6.494 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.682 8.063 -3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.651 8.906 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.724 7.386 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.989 8.931 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.172 7.909 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.441 9.650 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.300 10.677 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.050 11.477 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.127 10.011 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.069 10.231 -6.272 1.00 0.00 H new ATOM 471 N LYS A 28 -6.041 9.202 -2.046 1.00 0.00 N ATOM 472 CA LYS A 28 -5.566 10.476 -1.485 1.00 0.00 C ATOM 473 C LYS A 28 -4.319 10.226 -0.679 1.00 0.00 C ATOM 474 O LYS A 28 -3.345 10.963 -0.776 1.00 0.00 O ATOM 475 CB LYS A 28 -6.589 11.089 -0.535 1.00 0.00 C ATOM 476 CG LYS A 28 -7.937 11.429 -1.115 1.00 0.00 C ATOM 477 CD LYS A 28 -8.851 11.905 0.001 1.00 0.00 C ATOM 478 CE LYS A 28 -10.248 12.209 -0.487 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.136 12.563 0.638 1.00 0.00 N ATOM 0 H LYS A 28 -6.995 8.958 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.388 11.153 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.741 10.397 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.160 11.999 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.835 12.204 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.366 10.556 -1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.899 11.142 0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.426 12.799 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.216 13.031 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.650 11.343 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.076 12.817 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.223 11.750 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.736 13.372 1.155 1.00 0.00 H new ATOM 493 N LYS A 29 -4.364 9.158 0.103 1.00 0.00 N ATOM 494 CA LYS A 29 -3.260 8.773 0.945 1.00 0.00 C ATOM 495 C LYS A 29 -2.033 8.440 0.168 1.00 0.00 C ATOM 496 O LYS A 29 -0.950 8.822 0.557 1.00 0.00 O ATOM 497 CB LYS A 29 -3.621 7.665 1.938 1.00 0.00 C ATOM 498 CG LYS A 29 -4.178 8.161 3.262 1.00 0.00 C ATOM 499 CD LYS A 29 -5.444 8.968 3.107 1.00 0.00 C ATOM 500 CE LYS A 29 -5.872 9.546 4.431 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.858 10.477 4.975 1.00 0.00 N ATOM 0 H LYS A 29 -5.172 8.538 0.166 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.028 9.657 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.354 7.004 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.731 7.067 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.376 7.306 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.424 8.771 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.283 9.772 2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.237 8.336 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.820 10.070 4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.043 8.738 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.318 11.155 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.138 9.939 5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.405 10.992 4.193 1.00 0.00 H new ATOM 515 N LEU A 30 -2.204 7.761 -0.929 1.00 0.00 N ATOM 516 CA LEU A 30 -1.096 7.425 -1.785 1.00 0.00 C ATOM 517 C LEU A 30 -0.465 8.692 -2.328 1.00 0.00 C ATOM 518 O LEU A 30 0.743 8.870 -2.264 1.00 0.00 O ATOM 519 CB LEU A 30 -1.561 6.529 -2.930 1.00 0.00 C ATOM 520 CG LEU A 30 -2.193 5.205 -2.512 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.631 4.414 -3.727 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.230 4.400 -1.653 1.00 0.00 C ATOM 0 H LEU A 30 -3.109 7.425 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.352 6.880 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.282 7.082 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.706 6.317 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.079 5.420 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.079 3.473 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.363 4.991 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.766 4.208 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.699 3.459 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.322 4.194 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.978 4.969 -0.758 1.00 0.00 H new ATOM 534 N VAL A 31 -1.305 9.595 -2.783 1.00 0.00 N ATOM 535 CA VAL A 31 -0.855 10.835 -3.371 1.00 0.00 C ATOM 536 C VAL A 31 -0.122 11.710 -2.344 1.00 0.00 C ATOM 537 O VAL A 31 0.959 12.240 -2.634 1.00 0.00 O ATOM 538 CB VAL A 31 -2.043 11.615 -4.000 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.581 12.914 -4.618 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.734 10.757 -5.036 1.00 0.00 C ATOM 0 H VAL A 31 -2.319 9.489 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.149 10.584 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.749 11.856 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.435 13.436 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.123 13.539 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.851 12.705 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.565 11.311 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.025 10.491 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.111 9.849 -4.564 1.00 0.00 H new ATOM 550 N GLU A 32 -0.681 11.834 -1.147 1.00 0.00 N ATOM 551 CA GLU A 32 -0.048 12.633 -0.106 1.00 0.00 C ATOM 552 C GLU A 32 1.252 11.979 0.400 1.00 0.00 C ATOM 553 O GLU A 32 2.306 12.642 0.491 1.00 0.00 O ATOM 554 CB GLU A 32 -1.012 12.954 1.068 1.00 0.00 C ATOM 555 CG GLU A 32 -1.586 11.742 1.774 1.00 0.00 C ATOM 556 CD GLU A 32 -2.309 12.068 3.058 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.630 12.295 4.085 1.00 0.00 O ATOM 558 OE2 GLU A 32 -3.564 12.098 3.082 1.00 0.00 O ATOM 0 H GLU A 32 -1.561 11.397 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 32 0.215 13.585 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.480 13.564 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.836 13.558 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.275 11.233 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.778 11.043 1.991 1.00 0.00 H new ATOM 565 N VAL A 33 1.195 10.663 0.622 1.00 0.00 N ATOM 566 CA VAL A 33 2.280 9.907 1.228 1.00 0.00 C ATOM 567 C VAL A 33 3.546 9.948 0.386 1.00 0.00 C ATOM 568 O VAL A 33 4.631 9.905 0.917 1.00 0.00 O ATOM 569 CB VAL A 33 1.901 8.435 1.597 1.00 0.00 C ATOM 570 CG1 VAL A 33 1.928 7.490 0.398 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.768 7.927 2.724 1.00 0.00 C ATOM 0 H VAL A 33 0.384 10.093 0.382 1.00 0.00 H new ATOM 0 HA VAL A 33 2.480 10.414 2.172 1.00 0.00 H new ATOM 0 HB VAL A 33 0.866 8.453 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.656 6.485 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.217 7.835 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.930 7.475 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.488 6.902 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.814 7.955 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.629 8.557 3.603 1.00 0.00 H new ATOM 581 N LEU A 34 3.384 10.070 -0.927 1.00 0.00 N ATOM 582 CA LEU A 34 4.495 10.063 -1.878 1.00 0.00 C ATOM 583 C LEU A 34 5.605 11.075 -1.562 1.00 0.00 C ATOM 584 O LEU A 34 6.740 10.865 -1.984 1.00 0.00 O ATOM 585 CB LEU A 34 3.999 10.269 -3.313 1.00 0.00 C ATOM 586 CG LEU A 34 3.160 9.140 -3.903 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.696 9.488 -5.303 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.940 7.832 -3.905 1.00 0.00 C ATOM 0 H LEU A 34 2.470 10.178 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 34 4.941 9.074 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.410 11.186 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.865 10.425 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 34 2.278 9.011 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.100 8.668 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.091 10.394 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.563 9.652 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.322 7.041 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.844 7.948 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.213 7.570 -2.883 1.00 0.00 H new ATOM 600 N GLU A 35 5.305 12.172 -0.851 1.00 0.00 N ATOM 601 CA GLU A 35 6.378 13.111 -0.511 1.00 0.00 C ATOM 602 C GLU A 35 7.287 12.559 0.607 1.00 0.00 C ATOM 603 O GLU A 35 8.434 12.966 0.730 1.00 0.00 O ATOM 604 CB GLU A 35 5.863 14.519 -0.167 1.00 0.00 C ATOM 605 CG GLU A 35 4.977 14.622 1.064 1.00 0.00 C ATOM 606 CD GLU A 35 4.495 16.036 1.291 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.216 16.832 1.928 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.392 16.389 0.813 1.00 0.00 O ATOM 0 H GLU A 35 4.375 12.422 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 35 6.980 13.216 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.723 15.175 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.307 14.900 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.119 13.959 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.530 14.281 1.939 1.00 0.00 H new ATOM 615 N SER A 36 6.771 11.620 1.391 1.00 0.00 N ATOM 616 CA SER A 36 7.532 10.986 2.458 1.00 0.00 C ATOM 617 C SER A 36 6.850 9.691 2.954 1.00 0.00 C ATOM 618 O SER A 36 6.113 9.694 3.935 1.00 0.00 O ATOM 619 CB SER A 36 7.839 11.975 3.609 1.00 0.00 C ATOM 620 OG SER A 36 6.679 12.719 3.983 1.00 0.00 O ATOM 0 H SER A 36 5.814 11.278 1.304 1.00 0.00 H new ATOM 0 HA SER A 36 8.494 10.689 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.214 11.425 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.628 12.660 3.300 1.00 0.00 H new ATOM 0 HG SER A 36 6.905 13.333 4.713 1.00 0.00 H new ATOM 626 N PRO A 37 7.005 8.580 2.200 1.00 0.00 N ATOM 627 CA PRO A 37 6.419 7.291 2.573 1.00 0.00 C ATOM 628 C PRO A 37 7.306 6.492 3.519 1.00 0.00 C ATOM 629 O PRO A 37 6.878 5.514 4.101 1.00 0.00 O ATOM 630 CB PRO A 37 6.284 6.579 1.230 1.00 0.00 C ATOM 631 CG PRO A 37 7.435 7.088 0.430 1.00 0.00 C ATOM 632 CD PRO A 37 7.668 8.512 0.877 1.00 0.00 C ATOM 0 HA PRO A 37 5.479 7.407 3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.328 5.496 1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.333 6.810 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.323 6.478 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.215 7.047 -0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.732 8.739 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.237 9.227 0.176 1.00 0.00 H new ATOM 640 N ARG A 38 8.524 6.953 3.708 1.00 0.00 N ATOM 641 CA ARG A 38 9.492 6.263 4.550 1.00 0.00 C ATOM 642 C ARG A 38 9.335 6.597 6.040 1.00 0.00 C ATOM 643 O ARG A 38 10.304 6.603 6.809 1.00 0.00 O ATOM 644 CB ARG A 38 10.933 6.474 4.013 1.00 0.00 C ATOM 645 CG ARG A 38 11.368 7.914 3.700 1.00 0.00 C ATOM 646 CD ARG A 38 11.609 8.762 4.938 1.00 0.00 C ATOM 647 NE ARG A 38 12.145 10.083 4.593 1.00 0.00 N ATOM 648 CZ ARG A 38 13.135 10.714 5.252 1.00 0.00 C ATOM 649 NH1 ARG A 38 13.750 10.124 6.275 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.523 11.918 4.864 1.00 0.00 N ATOM 0 H ARG A 38 8.875 7.813 3.286 1.00 0.00 H new ATOM 0 HA ARG A 38 9.283 5.195 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.629 6.064 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.043 5.884 3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.281 7.887 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.603 8.390 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.674 8.880 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.305 8.248 5.601 1.00 0.00 H new ATOM 0 HE ARG A 38 11.735 10.561 3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.472 9.186 6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.499 10.610 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.072 12.367 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.273 12.397 5.362 1.00 0.00 H new ATOM 664 N ILE A 39 8.104 6.806 6.446 1.00 0.00 N ATOM 665 CA ILE A 39 7.790 7.106 7.814 1.00 0.00 C ATOM 666 C ILE A 39 7.698 5.810 8.600 1.00 0.00 C ATOM 667 O ILE A 39 6.763 5.018 8.443 1.00 0.00 O ATOM 668 CB ILE A 39 6.489 7.945 7.949 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.687 9.291 7.236 1.00 0.00 C ATOM 670 CG2 ILE A 39 6.121 8.157 9.423 1.00 0.00 C ATOM 671 CD1 ILE A 39 5.480 10.200 7.260 1.00 0.00 C ATOM 0 H ILE A 39 7.292 6.771 5.830 1.00 0.00 H new ATOM 0 HA ILE A 39 8.590 7.722 8.225 1.00 0.00 H new ATOM 0 HB ILE A 39 5.664 7.406 7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.526 9.811 7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.961 9.101 6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.207 8.747 9.489 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.964 7.190 9.901 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.930 8.685 9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.711 11.126 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.641 9.704 6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.215 10.426 8.293 1.00 0.00 H new ATOM 683 N GLU A 40 8.665 5.643 9.454 1.00 0.00 N ATOM 684 CA GLU A 40 8.897 4.462 10.270 1.00 0.00 C ATOM 685 C GLU A 40 7.687 4.065 11.118 1.00 0.00 C ATOM 686 O GLU A 40 7.465 2.879 11.381 1.00 0.00 O ATOM 687 CB GLU A 40 10.157 4.652 11.153 1.00 0.00 C ATOM 688 CG GLU A 40 10.180 5.927 12.027 1.00 0.00 C ATOM 689 CD GLU A 40 10.334 7.222 11.238 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.463 7.562 10.844 1.00 0.00 O ATOM 691 OE2 GLU A 40 9.318 7.897 10.971 1.00 0.00 O ATOM 0 H GLU A 40 9.363 6.368 9.618 1.00 0.00 H new ATOM 0 HA GLU A 40 9.066 3.635 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.254 3.785 11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.033 4.663 10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.257 5.974 12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.000 5.850 12.741 1.00 0.00 H new ATOM 698 N ALA A 41 6.885 5.037 11.492 1.00 0.00 N ATOM 699 CA ALA A 41 5.689 4.795 12.287 1.00 0.00 C ATOM 700 C ALA A 41 4.619 4.050 11.482 1.00 0.00 C ATOM 701 O ALA A 41 3.650 3.524 12.037 1.00 0.00 O ATOM 702 CB ALA A 41 5.133 6.101 12.804 1.00 0.00 C ATOM 0 H ALA A 41 7.038 6.018 11.257 1.00 0.00 H new ATOM 0 HA ALA A 41 5.973 4.165 13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.239 5.907 13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.880 6.594 13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.878 6.746 11.963 1.00 0.00 H new ATOM 708 N ASN A 42 4.792 3.992 10.179 1.00 0.00 N ATOM 709 CA ASN A 42 3.841 3.319 9.326 1.00 0.00 C ATOM 710 C ASN A 42 4.423 2.071 8.730 1.00 0.00 C ATOM 711 O ASN A 42 3.796 1.444 7.906 1.00 0.00 O ATOM 712 CB ASN A 42 3.294 4.232 8.211 1.00 0.00 C ATOM 713 CG ASN A 42 2.456 5.376 8.735 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.251 5.239 8.944 1.00 0.00 O ATOM 715 ND2 ASN A 42 3.064 6.519 8.914 1.00 0.00 N ATOM 0 H ASN A 42 5.585 4.404 9.688 1.00 0.00 H new ATOM 0 HA ASN A 42 3.004 3.045 9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.129 4.635 7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.694 3.636 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.538 7.331 9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.064 6.599 8.731 1.00 0.00 H new ATOM 722 N LYS A 43 5.594 1.667 9.162 1.00 0.00 N ATOM 723 CA LYS A 43 6.164 0.467 8.609 1.00 0.00 C ATOM 724 C LYS A 43 5.740 -0.744 9.393 1.00 0.00 C ATOM 725 O LYS A 43 5.416 -0.642 10.581 1.00 0.00 O ATOM 726 CB LYS A 43 7.681 0.541 8.369 1.00 0.00 C ATOM 727 CG LYS A 43 8.589 0.417 9.567 1.00 0.00 C ATOM 728 CD LYS A 43 10.028 0.789 9.185 1.00 0.00 C ATOM 729 CE LYS A 43 10.562 -0.033 8.000 1.00 0.00 C ATOM 730 NZ LYS A 43 11.901 0.427 7.570 1.00 0.00 N ATOM 0 H LYS A 43 6.155 2.136 9.873 1.00 0.00 H new ATOM 0 HA LYS A 43 5.751 0.364 7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.947 -0.246 7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.897 1.492 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.238 1.069 10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.559 -0.603 9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.070 1.849 8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.678 0.640 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.612 -1.085 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.867 0.041 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.226 -0.152 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.848 1.424 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.571 0.333 8.360 1.00 0.00 H new ATOM 744 N LEU A 44 5.605 -1.842 8.706 1.00 0.00 N ATOM 745 CA LEU A 44 5.208 -3.095 9.306 1.00 0.00 C ATOM 746 C LEU A 44 6.322 -3.638 10.191 1.00 0.00 C ATOM 747 O LEU A 44 7.495 -3.312 9.989 1.00 0.00 O ATOM 748 CB LEU A 44 4.825 -4.100 8.225 1.00 0.00 C ATOM 749 CG LEU A 44 3.601 -3.736 7.376 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.393 -4.750 6.289 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.365 -3.678 8.229 1.00 0.00 C ATOM 0 H LEU A 44 5.768 -1.899 7.701 1.00 0.00 H new ATOM 0 HA LEU A 44 4.334 -2.923 9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.678 -4.232 7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.640 -5.063 8.701 1.00 0.00 H new ATOM 0 HG LEU A 44 3.783 -2.758 6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.520 -4.475 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.273 -4.780 5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.235 -5.733 6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.507 -3.418 7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.197 -4.650 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.494 -2.923 9.005 1.00 0.00 H new ATOM 763 N ARG A 45 5.945 -4.457 11.150 1.00 0.00 N ATOM 764 CA ARG A 45 6.846 -4.977 12.153 1.00 0.00 C ATOM 765 C ARG A 45 8.024 -5.792 11.601 1.00 0.00 C ATOM 766 O ARG A 45 9.166 -5.460 11.871 1.00 0.00 O ATOM 767 CB ARG A 45 6.072 -5.729 13.245 1.00 0.00 C ATOM 768 CG ARG A 45 5.175 -6.862 12.759 1.00 0.00 C ATOM 769 CD ARG A 45 4.447 -7.514 13.920 1.00 0.00 C ATOM 770 NE ARG A 45 5.379 -8.129 14.874 1.00 0.00 N ATOM 771 CZ ARG A 45 5.162 -8.278 16.194 1.00 0.00 C ATOM 772 NH1 ARG A 45 4.054 -7.798 16.757 1.00 0.00 N ATOM 773 NH2 ARG A 45 6.064 -8.887 16.946 1.00 0.00 N ATOM 0 H ARG A 45 4.985 -4.785 11.255 1.00 0.00 H new ATOM 0 HA ARG A 45 7.321 -4.106 12.604 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.789 -6.138 13.957 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.457 -5.011 13.789 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.451 -6.475 12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.775 -7.607 12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.841 -6.768 14.434 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.763 -8.273 13.540 1.00 0.00 H new ATOM 0 HE ARG A 45 6.266 -8.472 14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.361 -7.313 16.187 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.898 -7.916 17.758 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.922 -9.243 16.525 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.901 -9.001 17.946 1.00 0.00 H new ATOM 787 N GLY A 46 7.768 -6.817 10.821 1.00 0.00 N ATOM 788 CA GLY A 46 8.866 -7.636 10.364 1.00 0.00 C ATOM 789 C GLY A 46 8.953 -7.719 8.868 1.00 0.00 C ATOM 790 O GLY A 46 9.547 -8.649 8.327 1.00 0.00 O ATOM 0 H GLY A 46 6.842 -7.097 10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.800 -7.233 10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.757 -8.641 10.772 1.00 0.00 H new ATOM 794 N MET A 47 8.403 -6.749 8.191 1.00 0.00 N ATOM 795 CA MET A 47 8.387 -6.766 6.732 1.00 0.00 C ATOM 796 C MET A 47 9.448 -5.840 6.176 1.00 0.00 C ATOM 797 O MET A 47 9.547 -4.687 6.617 1.00 0.00 O ATOM 798 CB MET A 47 7.026 -6.356 6.190 1.00 0.00 C ATOM 799 CG MET A 47 5.900 -7.328 6.490 1.00 0.00 C ATOM 800 SD MET A 47 6.080 -8.914 5.648 1.00 0.00 S ATOM 801 CE MET A 47 5.958 -8.390 3.938 1.00 0.00 C ATOM 0 H MET A 47 7.958 -5.934 8.613 1.00 0.00 H new ATOM 0 HA MET A 47 8.596 -7.788 6.416 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.765 -5.382 6.603 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.103 -6.234 5.110 1.00 0.00 H new ATOM 0 HG2 MET A 47 5.854 -7.499 7.566 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.952 -6.876 6.199 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.660 -9.236 3.319 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.214 -7.598 3.852 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.925 -8.017 3.602 1.00 0.00 H new ATOM 811 N PRO A 48 10.247 -6.324 5.194 1.00 0.00 N ATOM 812 CA PRO A 48 11.326 -5.544 4.576 1.00 0.00 C ATOM 813 C PRO A 48 10.818 -4.263 3.904 1.00 0.00 C ATOM 814 O PRO A 48 10.297 -4.289 2.776 1.00 0.00 O ATOM 815 CB PRO A 48 11.943 -6.501 3.540 1.00 0.00 C ATOM 816 CG PRO A 48 10.903 -7.547 3.316 1.00 0.00 C ATOM 817 CD PRO A 48 10.162 -7.680 4.613 1.00 0.00 C ATOM 0 HA PRO A 48 12.044 -5.201 5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.184 -5.979 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.870 -6.939 3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.229 -7.260 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.359 -8.495 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.128 -7.986 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.620 -8.426 5.263 1.00 0.00 H new ATOM 825 N ASP A 49 10.897 -3.173 4.662 1.00 0.00 N ATOM 826 CA ASP A 49 10.501 -1.823 4.246 1.00 0.00 C ATOM 827 C ASP A 49 9.114 -1.771 3.655 1.00 0.00 C ATOM 828 O ASP A 49 8.882 -1.179 2.593 1.00 0.00 O ATOM 829 CB ASP A 49 11.535 -1.149 3.331 1.00 0.00 C ATOM 830 CG ASP A 49 12.824 -0.843 4.050 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.794 -0.158 5.108 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.900 -1.295 3.604 1.00 0.00 O ATOM 0 H ASP A 49 11.251 -3.202 5.618 1.00 0.00 H new ATOM 0 HA ASP A 49 10.470 -1.239 5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.742 -1.798 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.116 -0.225 2.932 1.00 0.00 H new ATOM 837 N CYS A 50 8.189 -2.397 4.332 1.00 0.00 N ATOM 838 CA CYS A 50 6.834 -2.347 3.899 1.00 0.00 C ATOM 839 C CYS A 50 6.092 -1.440 4.846 1.00 0.00 C ATOM 840 O CYS A 50 6.336 -1.470 6.058 1.00 0.00 O ATOM 841 CB CYS A 50 6.231 -3.744 3.882 1.00 0.00 C ATOM 842 SG CYS A 50 7.163 -4.933 2.881 1.00 0.00 S ATOM 0 H CYS A 50 8.355 -2.942 5.178 1.00 0.00 H new ATOM 0 HA CYS A 50 6.764 -1.960 2.883 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.169 -4.115 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.211 -3.684 3.502 1.00 0.00 H new ATOM 0 HG CYS A 50 8.422 -4.609 2.882 1.00 0.00 H new ATOM 848 N TYR A 51 5.208 -0.663 4.319 1.00 0.00 N ATOM 849 CA TYR A 51 4.501 0.324 5.075 1.00 0.00 C ATOM 850 C TYR A 51 3.034 0.164 4.835 1.00 0.00 C ATOM 851 O TYR A 51 2.622 -0.350 3.787 1.00 0.00 O ATOM 852 CB TYR A 51 4.957 1.750 4.688 1.00 0.00 C ATOM 853 CG TYR A 51 6.431 2.071 4.951 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.438 1.556 4.144 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.806 2.887 6.004 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.767 1.843 4.381 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.137 3.176 6.243 1.00 0.00 C ATOM 858 CZ TYR A 51 9.109 2.652 5.430 1.00 0.00 C ATOM 859 OH TYR A 51 10.434 2.934 5.678 1.00 0.00 O ATOM 0 H TYR A 51 4.949 -0.693 3.333 1.00 0.00 H new ATOM 0 HA TYR A 51 4.717 0.183 6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.755 1.901 3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.345 2.468 5.234 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.175 0.917 3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.047 3.305 6.649 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.533 1.431 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.411 3.814 7.070 1.00 0.00 H new ATOM 0 HH TYR A 51 10.503 3.523 6.458 1.00 0.00 H new ATOM 869 N LYS A 52 2.248 0.569 5.784 1.00 0.00 N ATOM 870 CA LYS A 52 0.837 0.455 5.660 1.00 0.00 C ATOM 871 C LYS A 52 0.174 1.727 6.117 1.00 0.00 C ATOM 872 O LYS A 52 0.589 2.346 7.102 1.00 0.00 O ATOM 873 CB LYS A 52 0.277 -0.782 6.435 1.00 0.00 C ATOM 874 CG LYS A 52 0.167 -0.693 7.987 1.00 0.00 C ATOM 875 CD LYS A 52 1.492 -0.409 8.698 1.00 0.00 C ATOM 876 CE LYS A 52 1.355 -0.585 10.206 1.00 0.00 C ATOM 877 NZ LYS A 52 2.583 -0.194 10.951 1.00 0.00 N ATOM 0 H LYS A 52 2.568 0.984 6.659 1.00 0.00 H new ATOM 0 HA LYS A 52 0.606 0.296 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.717 -0.998 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.907 -1.638 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.545 0.091 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.241 -1.631 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.263 -1.080 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.817 0.607 8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.515 0.013 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.120 -1.627 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.496 -0.491 11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.411 -0.656 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.702 0.838 10.907 1.00 0.00 H new ATOM 891 N ILE A 53 -0.821 2.118 5.409 1.00 0.00 N ATOM 892 CA ILE A 53 -1.603 3.256 5.776 1.00 0.00 C ATOM 893 C ILE A 53 -2.940 2.735 6.195 1.00 0.00 C ATOM 894 O ILE A 53 -3.522 1.898 5.501 1.00 0.00 O ATOM 895 CB ILE A 53 -1.780 4.267 4.603 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.408 4.750 4.105 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.638 5.461 5.043 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.475 5.710 2.934 1.00 0.00 C ATOM 0 H ILE A 53 -1.124 1.658 4.550 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.098 3.800 6.575 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.291 3.760 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.115 5.236 4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.187 3.883 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.750 6.155 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.621 5.107 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.154 5.969 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.535 6.002 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.967 5.223 2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.041 6.596 3.222 1.00 0.00 H new ATOM 910 N LYS A 54 -3.413 3.173 7.317 1.00 0.00 N ATOM 911 CA LYS A 54 -4.679 2.716 7.791 1.00 0.00 C ATOM 912 C LYS A 54 -5.668 3.810 7.519 1.00 0.00 C ATOM 913 O LYS A 54 -5.330 5.000 7.627 1.00 0.00 O ATOM 914 CB LYS A 54 -4.638 2.297 9.299 1.00 0.00 C ATOM 915 CG LYS A 54 -4.667 3.421 10.370 1.00 0.00 C ATOM 916 CD LYS A 54 -3.538 4.447 10.256 1.00 0.00 C ATOM 917 CE LYS A 54 -2.159 3.829 10.357 1.00 0.00 C ATOM 918 NZ LYS A 54 -1.095 4.857 10.292 1.00 0.00 N ATOM 0 H LYS A 54 -2.942 3.846 7.922 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.974 1.806 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.485 1.637 9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.734 1.708 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.621 3.943 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.624 2.963 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.626 4.970 9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.653 5.193 11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.075 3.276 11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.022 3.111 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.351 4.545 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.499 5.754 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.686 4.994 11.239 1.00 0.00 H new ATOM 932 N LEU A 55 -6.834 3.451 7.123 1.00 0.00 N ATOM 933 CA LEU A 55 -7.798 4.428 6.759 1.00 0.00 C ATOM 934 C LEU A 55 -8.657 4.691 7.977 1.00 0.00 C ATOM 935 O LEU A 55 -9.379 3.809 8.428 1.00 0.00 O ATOM 936 CB LEU A 55 -8.663 3.903 5.599 1.00 0.00 C ATOM 937 CG LEU A 55 -9.266 4.934 4.615 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.237 4.258 3.679 1.00 0.00 C ATOM 939 CD2 LEU A 55 -9.928 6.097 5.317 1.00 0.00 C ATOM 0 H LEU A 55 -7.147 2.484 7.042 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.314 5.347 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.057 3.205 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.486 3.331 6.029 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.437 5.347 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.654 4.995 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.718 3.486 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.042 3.804 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.332 6.787 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.736 5.728 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.194 6.616 5.933 1.00 0.00 H new ATOM 951 N ARG A 56 -8.563 5.870 8.527 1.00 0.00 N ATOM 952 CA ARG A 56 -9.362 6.211 9.678 1.00 0.00 C ATOM 953 C ARG A 56 -10.785 6.555 9.242 1.00 0.00 C ATOM 954 O ARG A 56 -11.118 7.725 9.003 1.00 0.00 O ATOM 955 CB ARG A 56 -8.739 7.357 10.477 1.00 0.00 C ATOM 956 CG ARG A 56 -7.371 7.060 11.079 1.00 0.00 C ATOM 957 CD ARG A 56 -7.425 5.923 12.083 1.00 0.00 C ATOM 958 NE ARG A 56 -6.121 5.700 12.731 1.00 0.00 N ATOM 959 CZ ARG A 56 -5.870 4.751 13.646 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.831 3.938 14.042 1.00 0.00 N ATOM 961 NH2 ARG A 56 -4.656 4.619 14.151 1.00 0.00 N ATOM 0 H ARG A 56 -7.943 6.611 8.200 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.397 5.344 10.338 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.651 8.227 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.421 7.630 11.282 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.672 6.807 10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.987 7.956 11.567 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.175 6.145 12.843 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.741 5.009 11.580 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.351 6.313 12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.769 4.029 13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.636 3.218 14.738 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.906 5.240 13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.469 3.897 14.846 1.00 0.00 H new ATOM 975 N SER A 57 -11.573 5.513 9.041 1.00 0.00 N ATOM 976 CA SER A 57 -12.974 5.585 8.622 1.00 0.00 C ATOM 977 C SER A 57 -13.632 4.229 8.844 1.00 0.00 C ATOM 978 O SER A 57 -14.782 4.143 9.272 1.00 0.00 O ATOM 979 CB SER A 57 -13.115 5.962 7.134 1.00 0.00 C ATOM 980 OG SER A 57 -12.535 7.225 6.860 1.00 0.00 O ATOM 0 H SER A 57 -11.248 4.554 9.168 1.00 0.00 H new ATOM 0 HA SER A 57 -13.458 6.360 9.217 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.637 5.200 6.518 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.170 5.978 6.860 1.00 0.00 H new ATOM 0 HG SER A 57 -12.312 7.672 7.703 1.00 0.00 H new ATOM 986 N SER A 58 -12.876 3.186 8.576 1.00 0.00 N ATOM 987 CA SER A 58 -13.316 1.832 8.703 1.00 0.00 C ATOM 988 C SER A 58 -12.047 0.989 8.766 1.00 0.00 C ATOM 989 O SER A 58 -10.952 1.544 8.649 1.00 0.00 O ATOM 990 CB SER A 58 -14.197 1.453 7.489 1.00 0.00 C ATOM 991 OG SER A 58 -14.778 0.162 7.622 1.00 0.00 O ATOM 0 H SER A 58 -11.911 3.270 8.255 1.00 0.00 H new ATOM 0 HA SER A 58 -13.926 1.672 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.988 2.194 7.372 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.594 1.485 6.582 1.00 0.00 H new ATOM 0 HG SER A 58 -14.656 -0.339 6.789 1.00 0.00 H new ATOM 997 N GLY A 59 -12.167 -0.306 8.901 1.00 0.00 N ATOM 998 CA GLY A 59 -10.999 -1.156 9.055 1.00 0.00 C ATOM 999 C GLY A 59 -10.285 -1.477 7.761 1.00 0.00 C ATOM 1000 O GLY A 59 -10.013 -2.638 7.467 1.00 0.00 O ATOM 0 H GLY A 59 -13.058 -0.802 8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.297 -0.669 9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.304 -2.089 9.529 1.00 0.00 H new ATOM 1004 N TYR A 60 -9.964 -0.467 7.001 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.244 -0.655 5.775 1.00 0.00 C ATOM 1006 C TYR A 60 -7.833 -0.157 5.933 1.00 0.00 C ATOM 1007 O TYR A 60 -7.578 0.800 6.663 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.925 0.039 4.599 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.275 -0.537 4.231 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -11.376 -1.712 3.499 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -12.444 0.101 4.601 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -12.608 -2.232 3.147 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -13.680 -0.407 4.250 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.755 -1.576 3.524 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.986 -2.076 3.154 1.00 0.00 O ATOM 0 H TYR A 60 -10.193 0.504 7.213 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.232 -1.722 5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.047 1.096 4.837 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.270 -0.018 3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.477 -2.229 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.390 1.014 5.175 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.668 -3.149 2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.582 0.109 4.543 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.694 -1.494 3.502 1.00 0.00 H new ATOM 1025 N ARG A 61 -6.927 -0.853 5.333 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.532 -0.515 5.335 1.00 0.00 C ATOM 1027 C ARG A 61 -4.930 -0.888 4.003 1.00 0.00 C ATOM 1028 O ARG A 61 -5.413 -1.805 3.325 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.736 -1.167 6.506 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.012 -2.649 6.737 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.241 -2.849 7.623 1.00 0.00 C ATOM 1032 NE ARG A 61 -5.961 -2.538 9.039 1.00 0.00 N ATOM 1033 CZ ARG A 61 -6.531 -1.569 9.780 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -7.298 -0.639 9.221 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -6.275 -1.511 11.080 1.00 0.00 N ATOM 0 H ARG A 61 -7.138 -1.702 4.809 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.458 0.561 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.671 -1.038 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.963 -0.625 7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.165 -3.147 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.144 -3.115 7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.052 -2.214 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.584 -3.880 7.540 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.263 -3.118 9.504 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.463 -0.652 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.722 0.087 9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.652 -2.196 11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.701 -0.781 11.652 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.928 -0.181 3.618 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.259 -0.429 2.378 1.00 0.00 C ATOM 1051 C LEU A 62 -1.793 -0.690 2.675 1.00 0.00 C ATOM 1052 O LEU A 62 -1.155 0.097 3.375 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.492 0.771 1.426 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.948 0.675 -0.010 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.669 1.666 -0.896 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.472 0.983 -0.045 1.00 0.00 C ATOM 0 H LEU A 62 -3.541 0.595 4.155 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.653 -1.309 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.566 0.944 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.053 1.654 1.890 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.112 -0.342 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.281 1.595 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.736 1.443 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.511 2.676 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.109 0.909 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.302 1.993 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.937 0.270 0.582 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.281 -1.790 2.162 1.00 0.00 N ATOM 1069 CA VAL A 63 0.079 -2.218 2.427 1.00 0.00 C ATOM 1070 C VAL A 63 0.914 -2.142 1.153 1.00 0.00 C ATOM 1071 O VAL A 63 0.562 -2.736 0.112 1.00 0.00 O ATOM 1072 CB VAL A 63 0.110 -3.670 2.992 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.534 -4.128 3.284 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.742 -3.773 4.247 1.00 0.00 C ATOM 0 H VAL A 63 -1.799 -2.416 1.546 1.00 0.00 H new ATOM 0 HA VAL A 63 0.502 -1.548 3.175 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.303 -4.328 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.516 -5.145 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.120 -4.104 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.986 -3.463 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.708 -4.794 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.357 -3.091 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.772 -3.508 4.010 1.00 0.00 H new ATOM 1084 N TYR A 64 1.998 -1.432 1.230 1.00 0.00 N ATOM 1085 CA TYR A 64 2.872 -1.251 0.111 1.00 0.00 C ATOM 1086 C TYR A 64 4.313 -1.392 0.542 1.00 0.00 C ATOM 1087 O TYR A 64 4.620 -1.273 1.719 1.00 0.00 O ATOM 1088 CB TYR A 64 2.630 0.118 -0.568 1.00 0.00 C ATOM 1089 CG TYR A 64 2.778 1.354 0.311 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.006 1.750 0.828 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.681 2.133 0.592 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.119 2.879 1.598 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.783 3.262 1.357 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.008 3.633 1.860 1.00 0.00 C ATOM 1095 OH TYR A 64 3.120 4.759 2.628 1.00 0.00 O ATOM 0 H TYR A 64 2.304 -0.957 2.079 1.00 0.00 H new ATOM 0 HA TYR A 64 2.654 -2.027 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.323 0.210 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.624 0.117 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.886 1.159 0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.716 1.847 0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.080 3.171 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.907 3.859 1.565 1.00 0.00 H new ATOM 0 HH TYR A 64 4.013 5.146 2.513 1.00 0.00 H new ATOM 1105 N GLN A 65 5.177 -1.673 -0.378 1.00 0.00 N ATOM 1106 CA GLN A 65 6.580 -1.719 -0.084 1.00 0.00 C ATOM 1107 C GLN A 65 7.257 -0.530 -0.724 1.00 0.00 C ATOM 1108 O GLN A 65 6.921 -0.142 -1.855 1.00 0.00 O ATOM 1109 CB GLN A 65 7.238 -3.042 -0.514 1.00 0.00 C ATOM 1110 CG GLN A 65 7.153 -3.366 -2.005 1.00 0.00 C ATOM 1111 CD GLN A 65 7.877 -4.660 -2.377 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.481 -5.365 -3.310 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.957 -4.964 -1.693 1.00 0.00 N ATOM 0 H GLN A 65 4.938 -1.876 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 65 6.702 -1.671 0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.289 -3.015 -0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.775 -3.856 0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.105 -3.446 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.579 -2.541 -2.575 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.261 -4.363 -0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.491 -5.801 -1.928 1.00 0.00 H new ATOM 1122 N VAL A 66 8.153 0.076 -0.010 1.00 0.00 N ATOM 1123 CA VAL A 66 8.868 1.212 -0.522 1.00 0.00 C ATOM 1124 C VAL A 66 10.204 0.763 -1.047 1.00 0.00 C ATOM 1125 O VAL A 66 11.048 0.263 -0.299 1.00 0.00 O ATOM 1126 CB VAL A 66 9.050 2.335 0.545 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.919 3.476 0.012 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.699 2.881 0.963 1.00 0.00 C ATOM 0 H VAL A 66 8.411 -0.197 0.938 1.00 0.00 H new ATOM 0 HA VAL A 66 8.276 1.643 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 66 9.551 1.895 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.026 4.242 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.903 3.090 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.448 3.910 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.838 3.664 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.189 3.294 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.098 2.078 1.389 1.00 0.00 H new ATOM 1138 N ILE A 67 10.382 0.895 -2.325 1.00 0.00 N ATOM 1139 CA ILE A 67 11.615 0.545 -2.931 1.00 0.00 C ATOM 1140 C ILE A 67 12.392 1.825 -3.117 1.00 0.00 C ATOM 1141 O ILE A 67 12.181 2.563 -4.088 1.00 0.00 O ATOM 1142 CB ILE A 67 11.420 -0.154 -4.304 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.439 -1.336 -4.172 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.770 -0.644 -4.831 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.107 -2.020 -5.488 1.00 0.00 C ATOM 0 H ILE A 67 9.675 1.248 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 67 12.143 -0.164 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 67 11.001 0.564 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.864 -2.072 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.515 -0.978 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.628 -1.134 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.444 0.205 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.201 -1.352 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.412 -2.840 -5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.650 -1.300 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.021 -2.412 -5.935 1.00 0.00 H new ATOM 1157 N ASP A 68 13.249 2.103 -2.173 1.00 0.00 N ATOM 1158 CA ASP A 68 14.049 3.323 -2.158 1.00 0.00 C ATOM 1159 C ASP A 68 15.021 3.341 -3.320 1.00 0.00 C ATOM 1160 O ASP A 68 15.238 4.382 -3.943 1.00 0.00 O ATOM 1161 CB ASP A 68 14.827 3.426 -0.844 1.00 0.00 C ATOM 1162 CG ASP A 68 15.660 4.685 -0.754 1.00 0.00 C ATOM 1163 OD1 ASP A 68 16.788 4.724 -1.309 1.00 0.00 O ATOM 1164 OD2 ASP A 68 15.221 5.653 -0.118 1.00 0.00 O ATOM 0 H ASP A 68 13.422 1.489 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 68 13.373 4.173 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.127 3.399 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.478 2.557 -0.743 1.00 0.00 H new ATOM 1169 N GLU A 69 15.549 2.169 -3.646 1.00 0.00 N ATOM 1170 CA GLU A 69 16.521 2.012 -4.733 1.00 0.00 C ATOM 1171 C GLU A 69 15.936 2.434 -6.082 1.00 0.00 C ATOM 1172 O GLU A 69 16.659 2.864 -6.974 1.00 0.00 O ATOM 1173 CB GLU A 69 16.977 0.571 -4.846 1.00 0.00 C ATOM 1174 CG GLU A 69 17.700 0.002 -3.642 1.00 0.00 C ATOM 1175 CD GLU A 69 18.053 -1.451 -3.858 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.127 -2.282 -3.986 1.00 0.00 O ATOM 1177 OE2 GLU A 69 19.244 -1.786 -3.964 1.00 0.00 O ATOM 0 H GLU A 69 15.319 1.298 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 69 17.366 2.656 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.104 -0.050 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.634 0.486 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.607 0.576 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.072 0.099 -2.757 1.00 0.00 H new ATOM 1184 N LYS A 70 14.638 2.272 -6.234 1.00 0.00 N ATOM 1185 CA LYS A 70 13.965 2.615 -7.476 1.00 0.00 C ATOM 1186 C LYS A 70 13.105 3.870 -7.323 1.00 0.00 C ATOM 1187 O LYS A 70 12.538 4.358 -8.299 1.00 0.00 O ATOM 1188 CB LYS A 70 13.125 1.438 -7.977 1.00 0.00 C ATOM 1189 CG LYS A 70 13.936 0.212 -8.376 1.00 0.00 C ATOM 1190 CD LYS A 70 13.029 -0.919 -8.837 1.00 0.00 C ATOM 1191 CE LYS A 70 13.828 -2.123 -9.317 1.00 0.00 C ATOM 1192 NZ LYS A 70 14.600 -1.843 -10.551 1.00 0.00 N ATOM 0 H LYS A 70 14.022 1.903 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 70 14.733 2.833 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.419 1.153 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.538 1.765 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.629 0.475 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.537 -0.121 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.376 -1.219 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.386 -0.564 -9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.512 -2.437 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.148 -2.955 -9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.987 -2.732 -10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.975 -1.409 -11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.380 -1.191 -10.332 1.00 0.00 H new ATOM 1206 N VAL A 71 13.015 4.378 -6.085 1.00 0.00 N ATOM 1207 CA VAL A 71 12.214 5.575 -5.746 1.00 0.00 C ATOM 1208 C VAL A 71 10.710 5.312 -6.080 1.00 0.00 C ATOM 1209 O VAL A 71 9.962 6.188 -6.514 1.00 0.00 O ATOM 1210 CB VAL A 71 12.776 6.862 -6.481 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.082 8.147 -6.030 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.269 6.990 -6.247 1.00 0.00 C ATOM 0 H VAL A 71 13.497 3.971 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 71 12.292 5.770 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 71 12.571 6.730 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.506 8.997 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.015 8.079 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.229 8.283 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.642 7.878 -6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.464 7.077 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.775 6.107 -6.637 1.00 0.00 H new ATOM 1222 N VAL A 72 10.265 4.111 -5.805 1.00 0.00 N ATOM 1223 CA VAL A 72 8.904 3.740 -6.114 1.00 0.00 C ATOM 1224 C VAL A 72 8.236 3.054 -4.925 1.00 0.00 C ATOM 1225 O VAL A 72 8.861 2.282 -4.185 1.00 0.00 O ATOM 1226 CB VAL A 72 8.806 2.856 -7.417 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.540 1.540 -7.271 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.356 2.615 -7.839 1.00 0.00 C ATOM 0 H VAL A 72 10.822 3.375 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 72 8.361 4.663 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 72 9.296 3.426 -8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.444 0.966 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.594 1.732 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.111 0.974 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.336 2.002 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.825 2.100 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.872 3.571 -8.040 1.00 0.00 H new ATOM 1238 N VAL A 73 7.012 3.407 -4.722 1.00 0.00 N ATOM 1239 CA VAL A 73 6.162 2.854 -3.727 1.00 0.00 C ATOM 1240 C VAL A 73 5.259 1.849 -4.434 1.00 0.00 C ATOM 1241 O VAL A 73 4.465 2.213 -5.315 1.00 0.00 O ATOM 1242 CB VAL A 73 5.315 3.973 -3.074 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.362 3.414 -2.055 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.214 5.017 -2.433 1.00 0.00 C ATOM 0 H VAL A 73 6.554 4.129 -5.278 1.00 0.00 H new ATOM 0 HA VAL A 73 6.738 2.372 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 73 4.729 4.447 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.782 4.226 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.688 2.706 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.924 2.904 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.601 5.796 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.829 4.546 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.858 5.459 -3.193 1.00 0.00 H new ATOM 1254 N PHE A 74 5.406 0.612 -4.082 1.00 0.00 N ATOM 1255 CA PHE A 74 4.723 -0.456 -4.760 1.00 0.00 C ATOM 1256 C PHE A 74 3.656 -1.070 -3.857 1.00 0.00 C ATOM 1257 O PHE A 74 3.976 -1.701 -2.851 1.00 0.00 O ATOM 1258 CB PHE A 74 5.766 -1.500 -5.181 1.00 0.00 C ATOM 1259 CG PHE A 74 5.236 -2.628 -6.001 1.00 0.00 C ATOM 1260 CD1 PHE A 74 5.009 -2.457 -7.348 1.00 0.00 C ATOM 1261 CD2 PHE A 74 4.983 -3.860 -5.431 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.538 -3.490 -8.116 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.509 -4.898 -6.194 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.286 -4.709 -7.541 1.00 0.00 C ATOM 0 H PHE A 74 6.004 0.307 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 74 4.212 -0.075 -5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.552 -0.999 -5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.230 -1.910 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.204 -1.498 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.160 -4.008 -4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.366 -3.344 -9.172 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.312 -5.858 -5.741 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.912 -5.523 -8.145 1.00 0.00 H new ATOM 1274 N VAL A 75 2.400 -0.870 -4.210 1.00 0.00 N ATOM 1275 CA VAL A 75 1.273 -1.388 -3.438 1.00 0.00 C ATOM 1276 C VAL A 75 1.136 -2.875 -3.681 1.00 0.00 C ATOM 1277 O VAL A 75 0.987 -3.307 -4.826 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.061 -0.671 -3.807 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.235 -1.198 -2.970 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.076 0.837 -3.653 1.00 0.00 C ATOM 0 H VAL A 75 2.126 -0.344 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 75 1.472 -1.196 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.275 -0.893 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.148 -0.675 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.358 -2.266 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.034 -1.027 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.867 1.317 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.329 1.076 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.864 1.200 -4.313 1.00 0.00 H new ATOM 1290 N ILE A 76 1.193 -3.650 -2.618 1.00 0.00 N ATOM 1291 CA ILE A 76 1.133 -5.091 -2.740 1.00 0.00 C ATOM 1292 C ILE A 76 -0.273 -5.594 -2.423 1.00 0.00 C ATOM 1293 O ILE A 76 -0.808 -6.465 -3.108 1.00 0.00 O ATOM 1294 CB ILE A 76 2.124 -5.790 -1.770 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.543 -5.221 -1.908 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.143 -7.292 -2.036 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.526 -5.795 -0.901 1.00 0.00 C ATOM 0 H ILE A 76 1.281 -3.307 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 76 1.404 -5.333 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 76 1.782 -5.602 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.909 -5.419 -2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.505 -4.138 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.841 -7.774 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.144 -7.701 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.458 -7.476 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.508 -5.349 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.183 -5.574 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.593 -6.875 -1.033 1.00 0.00 H new ATOM 1309 N SER A 77 -0.876 -5.047 -1.391 1.00 0.00 N ATOM 1310 CA SER A 77 -2.178 -5.499 -0.954 1.00 0.00 C ATOM 1311 C SER A 77 -2.970 -4.344 -0.364 1.00 0.00 C ATOM 1312 O SER A 77 -2.394 -3.405 0.181 1.00 0.00 O ATOM 1313 CB SER A 77 -2.015 -6.627 0.076 1.00 0.00 C ATOM 1314 OG SER A 77 -1.302 -7.719 -0.484 1.00 0.00 O ATOM 0 H SER A 77 -0.484 -4.286 -0.837 1.00 0.00 H new ATOM 0 HA SER A 77 -2.729 -5.883 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.486 -6.252 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.996 -6.962 0.414 1.00 0.00 H new ATOM 0 HG SER A 77 -1.068 -8.354 0.224 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.267 -4.403 -0.488 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.127 -3.362 0.000 1.00 0.00 C ATOM 1322 C VAL A 78 -6.471 -3.968 0.425 1.00 0.00 C ATOM 1323 O VAL A 78 -6.959 -4.906 -0.218 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.308 -2.241 -1.088 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.883 -2.780 -2.388 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.137 -1.091 -0.576 1.00 0.00 C ATOM 0 H VAL A 78 -4.759 -5.178 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.674 -2.891 0.872 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.308 -1.866 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.988 -1.966 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.214 -3.538 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.860 -3.223 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.238 -0.339 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.125 -1.453 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.649 -0.649 0.292 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.011 -3.500 1.533 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.291 -3.978 1.997 1.00 0.00 C ATOM 1338 C GLY A 79 -8.340 -4.056 3.498 1.00 0.00 C ATOM 1339 O GLY A 79 -7.770 -3.210 4.182 1.00 0.00 O ATOM 0 H GLY A 79 -6.581 -2.790 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.079 -3.315 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.488 -4.963 1.574 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.012 -5.042 4.017 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.085 -5.225 5.446 1.00 0.00 C ATOM 1345 C LYS A 80 -8.052 -6.235 5.892 1.00 0.00 C ATOM 1346 O LYS A 80 -7.632 -7.098 5.112 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.461 -5.707 5.889 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.612 -4.751 5.615 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.917 -5.288 6.195 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.851 -5.399 7.723 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.047 -6.035 8.292 1.00 0.00 N ATOM 0 H LYS A 80 -9.522 -5.738 3.473 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.894 -4.255 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.672 -6.654 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.428 -5.910 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.391 -3.776 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.720 -4.605 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.739 -4.631 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.130 -6.268 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.969 -5.974 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.734 -4.404 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.954 -6.087 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.888 -5.474 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.147 -6.995 7.905 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.658 -6.142 7.131 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.709 -7.052 7.700 1.00 0.00 C ATOM 1367 C ALA A 81 -7.108 -7.347 9.121 1.00 0.00 C ATOM 1368 O ALA A 81 -6.930 -6.501 10.005 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.311 -6.457 7.671 1.00 0.00 C ATOM 0 H ALA A 81 -7.990 -5.427 7.778 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.701 -7.972 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.606 -7.164 8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.025 -6.249 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.298 -5.530 8.245 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.228 -9.385 5.013 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.386 -8.585 4.146 1.00 0.00 C ATOM 1428 C VAL A 86 -0.923 -8.981 4.269 1.00 0.00 C ATOM 1429 O VAL A 86 -0.160 -8.834 3.336 1.00 0.00 O ATOM 1430 CB VAL A 86 -2.571 -7.062 4.398 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -3.994 -6.633 4.063 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -2.226 -6.691 5.839 1.00 0.00 C ATOM 0 HA VAL A 86 -2.705 -8.788 3.124 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.882 -6.530 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.104 -5.564 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.201 -6.845 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.697 -7.183 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.366 -5.620 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.878 -7.236 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.188 -6.952 6.043 1.00 0.00 H new ATOM 1442 N TYR A 87 -0.562 -9.534 5.413 1.00 0.00 N ATOM 1443 CA TYR A 87 0.808 -9.943 5.660 1.00 0.00 C ATOM 1444 C TYR A 87 1.146 -11.166 4.850 1.00 0.00 C ATOM 1445 O TYR A 87 2.213 -11.237 4.256 1.00 0.00 O ATOM 1446 CB TYR A 87 1.051 -10.217 7.144 1.00 0.00 C ATOM 1447 CG TYR A 87 0.972 -8.992 8.021 1.00 0.00 C ATOM 1448 CD1 TYR A 87 -0.236 -8.560 8.550 1.00 0.00 C ATOM 1449 CD2 TYR A 87 2.114 -8.269 8.324 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -0.302 -7.441 9.353 1.00 0.00 C ATOM 1451 CE2 TYR A 87 2.058 -7.154 9.128 1.00 0.00 C ATOM 1452 CZ TYR A 87 0.848 -6.743 9.641 1.00 0.00 C ATOM 1453 OH TYR A 87 0.787 -5.630 10.450 1.00 0.00 O ATOM 0 H TYR A 87 -1.201 -9.710 6.188 1.00 0.00 H new ATOM 0 HA TYR A 87 1.457 -9.122 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.319 -10.947 7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.035 -10.671 7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.139 -9.109 8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.065 -8.586 7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.250 -7.115 9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.959 -6.604 9.356 1.00 0.00 H new ATOM 0 HH TYR A 87 1.689 -5.395 10.751 1.00 0.00 H new ATOM 1463 N SER A 88 0.201 -12.098 4.793 1.00 0.00 N ATOM 1464 CA SER A 88 0.376 -13.348 4.076 1.00 0.00 C ATOM 1465 C SER A 88 0.664 -13.090 2.593 1.00 0.00 C ATOM 1466 O SER A 88 1.666 -13.569 2.052 1.00 0.00 O ATOM 1467 CB SER A 88 -0.878 -14.220 4.228 1.00 0.00 C ATOM 1468 OG SER A 88 -1.181 -14.468 5.606 1.00 0.00 O ATOM 0 H SER A 88 -0.709 -12.004 5.245 1.00 0.00 H new ATOM 0 HA SER A 88 1.230 -13.874 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.725 -13.727 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.728 -15.168 3.711 1.00 0.00 H new ATOM 0 HG SER A 88 -1.985 -15.024 5.669 1.00 0.00 H new ATOM 1474 N GLU A 89 -0.175 -12.281 1.964 1.00 0.00 N ATOM 1475 CA GLU A 89 -0.006 -12.000 0.558 1.00 0.00 C ATOM 1476 C GLU A 89 1.211 -11.136 0.291 1.00 0.00 C ATOM 1477 O GLU A 89 1.902 -11.333 -0.706 1.00 0.00 O ATOM 1478 CB GLU A 89 -1.261 -11.399 -0.067 1.00 0.00 C ATOM 1479 CG GLU A 89 -2.454 -12.334 -0.032 1.00 0.00 C ATOM 1480 CD GLU A 89 -3.569 -11.886 -0.937 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -3.404 -11.990 -2.182 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -4.632 -11.441 -0.442 1.00 0.00 O ATOM 0 H GLU A 89 -0.969 -11.815 2.404 1.00 0.00 H new ATOM 0 HA GLU A 89 0.165 -12.961 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.514 -10.478 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.050 -11.129 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.135 -13.335 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.827 -12.403 0.990 1.00 0.00 H new ATOM 1489 N ALA A 90 1.495 -10.211 1.190 1.00 0.00 N ATOM 1490 CA ALA A 90 2.636 -9.339 1.031 1.00 0.00 C ATOM 1491 C ALA A 90 3.945 -10.113 1.101 1.00 0.00 C ATOM 1492 O ALA A 90 4.790 -9.995 0.209 1.00 0.00 O ATOM 1493 CB ALA A 90 2.623 -8.209 2.050 1.00 0.00 C ATOM 0 H ALA A 90 0.949 -10.047 2.036 1.00 0.00 H new ATOM 0 HA ALA A 90 2.562 -8.895 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.496 -7.574 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.717 -7.616 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.647 -8.626 3.057 1.00 0.00 H new