USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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 74 THR OG1 : rot 170:sc= -0.388 USER MOD Set 1.2: A 77 MET CE :methyl -106:sc= -4.89! (180deg=-8.47!) USER MOD Set 2.1: A 25 GLN : amide:sc= -1.71! K(o=-1.6!,f=-2.2) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 169:sc= 0.0746 (180deg=-0.216) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -29:sc= 0.793 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -1.71! (180deg=-1.96!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 43 THR OG1 : rot -20:sc= 0.513 USER MOD Single : A 45 THR OG1 : rot -161:sc= -0.854 USER MOD Single : A 48 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-0.98) USER MOD Single : A 49 MET CE :methyl -128:sc= -0.893 (180deg=-2.69) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= -2.59 (180deg=-2.79) USER MOD Single : A 54 HIS : no HD1:sc= -7.58! C(o=-7.6!,f=-6.3!) USER MOD Single : A 63 SER OG : rot -21:sc= -3.47! USER MOD Single : A 64 GLN : amide:sc= -2.18! C(o=-2.2!,f=-4.8!) USER MOD Single : A 69 SER OG : rot 66:sc= 1.44 USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= -0.0496 (180deg=-0.363) USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= -3.03 (180deg=-6.03!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.46 K(o=-1.5,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 24 -12.388 -3.434 1.380 1.00 0.00 N ATOM 45 CA CYS A 24 -11.163 -3.926 0.762 1.00 0.00 C ATOM 46 C CYS A 24 -9.987 -3.804 1.733 1.00 0.00 C ATOM 47 O CYS A 24 -9.999 -2.964 2.632 1.00 0.00 O ATOM 48 CB CYS A 24 -10.878 -3.153 -0.530 1.00 0.00 C ATOM 49 SG CYS A 24 -12.297 -3.028 -1.642 1.00 0.00 S ATOM 0 HA CYS A 24 -11.294 -4.980 0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.541 -2.149 -0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -10.058 -3.639 -1.058 1.00 0.00 H new ATOM 0 HG CYS A 24 -11.959 -2.357 -2.703 1.00 0.00 H new ATOM 55 N GLN A 25 -8.978 -4.651 1.551 1.00 0.00 N ATOM 56 CA GLN A 25 -7.802 -4.645 2.415 1.00 0.00 C ATOM 57 C GLN A 25 -6.609 -5.250 1.684 1.00 0.00 C ATOM 58 O GLN A 25 -6.667 -6.391 1.231 1.00 0.00 O ATOM 59 CB GLN A 25 -8.078 -5.435 3.697 1.00 0.00 C ATOM 60 CG GLN A 25 -9.375 -5.045 4.389 1.00 0.00 C ATOM 61 CD GLN A 25 -9.601 -5.812 5.678 1.00 0.00 C ATOM 62 OE1 GLN A 25 -9.147 -6.948 5.825 1.00 0.00 O ATOM 63 NE2 GLN A 25 -10.310 -5.197 6.616 1.00 0.00 N ATOM 0 H GLN A 25 -8.951 -5.352 0.811 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.573 -3.613 2.679 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.109 -6.498 3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.249 -5.288 4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.361 -3.976 4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.211 -5.223 3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.666 -4.256 6.451 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.499 -5.666 7.502 1.00 0.00 H new ATOM 72 N LEU A 26 -5.527 -4.487 1.578 1.00 0.00 N ATOM 73 CA LEU A 26 -4.333 -4.960 0.877 1.00 0.00 C ATOM 74 C LEU A 26 -3.112 -4.985 1.791 1.00 0.00 C ATOM 75 O LEU A 26 -2.875 -4.045 2.552 1.00 0.00 O ATOM 76 CB LEU A 26 -4.060 -4.077 -0.343 1.00 0.00 C ATOM 77 CG LEU A 26 -3.387 -4.780 -1.525 1.00 0.00 C ATOM 78 CD1 LEU A 26 -3.303 -3.846 -2.721 1.00 0.00 C ATOM 79 CD2 LEU A 26 -2.003 -5.278 -1.137 1.00 0.00 C ATOM 0 H LEU A 26 -5.449 -3.546 1.964 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.521 -5.983 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.005 -3.655 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.431 -3.242 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.994 -5.642 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.822 -4.362 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.307 -3.541 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.720 -2.965 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.542 -5.774 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.385 -4.434 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.089 -5.983 -0.310 1.00 0.00 H new ATOM 91 N ARG A 27 -2.338 -6.068 1.701 1.00 0.00 N ATOM 92 CA ARG A 27 -1.140 -6.226 2.516 1.00 0.00 C ATOM 93 C ARG A 27 0.013 -5.392 1.959 1.00 0.00 C ATOM 94 O ARG A 27 0.221 -5.338 0.748 1.00 0.00 O ATOM 95 CB ARG A 27 -0.733 -7.700 2.578 1.00 0.00 C ATOM 96 CG ARG A 27 -1.687 -8.570 3.380 1.00 0.00 C ATOM 97 CD ARG A 27 -1.276 -10.033 3.332 1.00 0.00 C ATOM 98 NE ARG A 27 -2.142 -10.871 4.157 1.00 0.00 N ATOM 99 CZ ARG A 27 -1.830 -12.109 4.537 1.00 0.00 C ATOM 100 NH1 ARG A 27 -0.677 -12.652 4.172 1.00 0.00 N ATOM 101 NH2 ARG A 27 -2.676 -12.804 5.287 1.00 0.00 N ATOM 0 H ARG A 27 -2.523 -6.848 1.070 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.366 -5.874 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.667 -8.091 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.263 -7.773 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.709 -8.230 4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.698 -8.461 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.307 -10.385 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.245 -10.131 3.672 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.037 -10.486 4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.023 -12.121 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.444 -13.600 4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.564 -12.390 5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.439 -13.752 5.579 1.00 0.00 H new ATOM 115 N LEU A 28 0.760 -4.747 2.850 1.00 0.00 N ATOM 116 CA LEU A 28 1.896 -3.920 2.447 1.00 0.00 C ATOM 117 C LEU A 28 3.196 -4.462 3.013 1.00 0.00 C ATOM 118 O LEU A 28 3.490 -4.254 4.186 1.00 0.00 O ATOM 119 CB LEU A 28 1.715 -2.488 2.940 1.00 0.00 C ATOM 120 CG LEU A 28 0.906 -1.569 2.027 1.00 0.00 C ATOM 121 CD1 LEU A 28 1.819 -0.933 0.997 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.229 -2.325 1.350 1.00 0.00 C ATOM 0 H LEU A 28 0.600 -4.780 3.857 1.00 0.00 H new ATOM 0 HA LEU A 28 1.940 -3.938 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.230 -2.518 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.701 -2.047 3.087 1.00 0.00 H new ATOM 0 HG LEU A 28 0.459 -0.783 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.236 -0.279 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.589 -0.350 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.290 -1.712 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.787 -1.644 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.182 -3.137 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.896 -2.736 2.108 1.00 0.00 H new ATOM 134 N ARG A 29 3.986 -5.122 2.178 1.00 0.00 N ATOM 135 CA ARG A 29 5.258 -5.675 2.638 1.00 0.00 C ATOM 136 C ARG A 29 6.336 -4.612 2.531 1.00 0.00 C ATOM 137 O ARG A 29 6.904 -4.394 1.461 1.00 0.00 O ATOM 138 CB ARG A 29 5.629 -6.916 1.825 1.00 0.00 C ATOM 139 CG ARG A 29 6.885 -7.627 2.311 1.00 0.00 C ATOM 140 CD ARG A 29 8.152 -6.897 1.895 1.00 0.00 C ATOM 141 NE ARG A 29 9.342 -7.728 2.066 1.00 0.00 N ATOM 142 CZ ARG A 29 10.575 -7.325 1.769 1.00 0.00 C ATOM 143 NH1 ARG A 29 10.785 -6.107 1.287 1.00 0.00 N ATOM 144 NH2 ARG A 29 11.603 -8.143 1.956 1.00 0.00 N ATOM 0 H ARG A 29 3.776 -5.288 1.194 1.00 0.00 H new ATOM 0 HA ARG A 29 5.164 -5.979 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.795 -7.617 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.769 -6.626 0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.856 -7.712 3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.904 -8.641 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.069 -6.592 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.257 -5.987 2.486 1.00 0.00 H new ATOM 0 HE ARG A 29 9.220 -8.671 2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.999 -5.473 1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.733 -5.804 1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.448 -9.080 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.548 -7.834 1.728 1.00 0.00 H new ATOM 158 N LEU A 30 6.632 -3.963 3.655 1.00 0.00 N ATOM 159 CA LEU A 30 7.607 -2.888 3.671 1.00 0.00 C ATOM 160 C LEU A 30 9.036 -3.416 3.725 1.00 0.00 C ATOM 161 O LEU A 30 9.340 -4.389 4.413 1.00 0.00 O ATOM 162 CB LEU A 30 7.308 -1.935 4.826 1.00 0.00 C ATOM 163 CG LEU A 30 6.144 -0.948 4.630 1.00 0.00 C ATOM 164 CD1 LEU A 30 6.583 0.257 3.813 1.00 0.00 C ATOM 165 CD2 LEU A 30 4.924 -1.627 4.013 1.00 0.00 C ATOM 0 H LEU A 30 6.209 -4.166 4.561 1.00 0.00 H new ATOM 0 HA LEU A 30 7.523 -2.334 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.100 -2.532 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.210 -1.359 5.033 1.00 0.00 H new ATOM 0 HG LEU A 30 5.846 -0.592 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.742 0.939 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.394 0.771 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.929 -0.074 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.124 -0.897 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.190 -2.040 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.585 -2.430 4.667 1.00 0.00 H new ATOM 177 N SER A 31 9.900 -2.742 2.971 1.00 0.00 N ATOM 178 CA SER A 31 11.309 -3.108 2.853 1.00 0.00 C ATOM 179 C SER A 31 11.983 -3.234 4.211 1.00 0.00 C ATOM 180 O SER A 31 12.960 -3.968 4.359 1.00 0.00 O ATOM 181 CB SER A 31 12.052 -2.076 2.003 1.00 0.00 C ATOM 182 OG SER A 31 13.423 -2.409 1.875 1.00 0.00 O ATOM 0 H SER A 31 9.641 -1.922 2.422 1.00 0.00 H new ATOM 0 HA SER A 31 11.351 -4.084 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.595 -2.018 1.015 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.955 -1.090 2.457 1.00 0.00 H new ATOM 0 HG SER A 31 13.874 -1.734 1.326 1.00 0.00 H new ATOM 188 N THR A 32 11.468 -2.517 5.199 1.00 0.00 N ATOM 189 CA THR A 32 12.034 -2.570 6.538 1.00 0.00 C ATOM 190 C THR A 32 11.502 -3.781 7.295 1.00 0.00 C ATOM 191 O THR A 32 11.880 -4.030 8.439 1.00 0.00 O ATOM 192 CB THR A 32 11.717 -1.293 7.340 1.00 0.00 C ATOM 193 OG1 THR A 32 12.300 -1.375 8.645 1.00 0.00 O ATOM 194 CG2 THR A 32 10.214 -1.090 7.463 1.00 0.00 C ATOM 0 H THR A 32 10.665 -1.896 5.100 1.00 0.00 H new ATOM 0 HA THR A 32 13.115 -2.651 6.427 1.00 0.00 H new ATOM 0 HB THR A 32 12.141 -0.442 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.361 -2.314 8.918 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.015 -0.183 8.033 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.777 -0.997 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.772 -1.945 7.975 1.00 0.00 H new ATOM 202 N GLY A 33 10.617 -4.531 6.641 1.00 0.00 N ATOM 203 CA GLY A 33 10.029 -5.696 7.260 1.00 0.00 C ATOM 204 C GLY A 33 8.716 -5.329 7.894 1.00 0.00 C ATOM 205 O GLY A 33 8.368 -5.814 8.970 1.00 0.00 O ATOM 0 H GLY A 33 10.299 -4.347 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.878 -6.477 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.706 -6.100 8.013 1.00 0.00 H new ATOM 209 N LYS A 34 7.984 -4.456 7.209 1.00 0.00 N ATOM 210 CA LYS A 34 6.716 -3.971 7.706 1.00 0.00 C ATOM 211 C LYS A 34 5.573 -4.358 6.769 1.00 0.00 C ATOM 212 O LYS A 34 5.219 -3.628 5.849 1.00 0.00 O ATOM 213 CB LYS A 34 6.841 -2.452 7.945 1.00 0.00 C ATOM 214 CG LYS A 34 5.578 -1.631 7.767 1.00 0.00 C ATOM 215 CD LYS A 34 4.698 -1.691 8.999 1.00 0.00 C ATOM 216 CE LYS A 34 3.937 -2.996 9.053 1.00 0.00 C ATOM 217 NZ LYS A 34 3.137 -3.121 10.304 1.00 0.00 N ATOM 0 H LYS A 34 8.256 -4.072 6.304 1.00 0.00 H new ATOM 0 HA LYS A 34 6.467 -4.441 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.209 -2.296 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.600 -2.062 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.843 -0.595 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.023 -1.998 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.311 -1.585 9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.997 -0.856 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.275 -3.066 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.638 -3.828 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.853 -4.113 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.711 -2.814 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.288 -2.524 10.234 1.00 0.00 H new ATOM 231 N ASP A 35 5.014 -5.543 7.016 1.00 0.00 N ATOM 232 CA ASP A 35 3.913 -6.073 6.223 1.00 0.00 C ATOM 233 C ASP A 35 2.609 -5.960 6.997 1.00 0.00 C ATOM 234 O ASP A 35 2.350 -6.734 7.917 1.00 0.00 O ATOM 235 CB ASP A 35 4.179 -7.534 5.856 1.00 0.00 C ATOM 236 CG ASP A 35 4.347 -8.415 7.078 1.00 0.00 C ATOM 237 OD1 ASP A 35 5.488 -8.532 7.573 1.00 0.00 O ATOM 238 OD2 ASP A 35 3.339 -8.989 7.540 1.00 0.00 O ATOM 0 H ASP A 35 5.314 -6.159 7.771 1.00 0.00 H new ATOM 0 HA ASP A 35 3.832 -5.490 5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.354 -7.910 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.078 -7.594 5.242 1.00 0.00 H new ATOM 243 N LEU A 36 1.793 -4.989 6.617 1.00 0.00 N ATOM 244 CA LEU A 36 0.519 -4.760 7.276 1.00 0.00 C ATOM 245 C LEU A 36 -0.567 -4.483 6.251 1.00 0.00 C ATOM 246 O LEU A 36 -0.421 -3.610 5.394 1.00 0.00 O ATOM 247 CB LEU A 36 0.634 -3.587 8.253 1.00 0.00 C ATOM 248 CG LEU A 36 -0.556 -3.393 9.199 1.00 0.00 C ATOM 249 CD1 LEU A 36 -1.768 -2.866 8.446 1.00 0.00 C ATOM 250 CD2 LEU A 36 -0.892 -4.697 9.906 1.00 0.00 C ATOM 0 H LEU A 36 1.993 -4.345 5.852 1.00 0.00 H new ATOM 0 HA LEU A 36 0.250 -5.658 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.533 -3.724 8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.771 -2.671 7.678 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.276 -2.654 9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.599 -2.737 9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.524 -1.907 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.051 -3.576 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.739 -4.541 10.574 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.148 -5.456 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.030 -5.030 10.485 1.00 0.00 H new ATOM 262 N LYS A 37 -1.649 -5.237 6.337 1.00 0.00 N ATOM 263 CA LYS A 37 -2.763 -5.072 5.422 1.00 0.00 C ATOM 264 C LYS A 37 -3.641 -3.906 5.856 1.00 0.00 C ATOM 265 O LYS A 37 -4.408 -4.007 6.813 1.00 0.00 O ATOM 266 CB LYS A 37 -3.563 -6.374 5.342 1.00 0.00 C ATOM 267 CG LYS A 37 -5.036 -6.195 4.999 1.00 0.00 C ATOM 268 CD LYS A 37 -5.751 -7.533 4.905 1.00 0.00 C ATOM 269 CE LYS A 37 -5.708 -8.284 6.226 1.00 0.00 C ATOM 270 NZ LYS A 37 -6.351 -7.511 7.325 1.00 0.00 N ATOM 0 H LYS A 37 -1.779 -5.971 7.033 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.381 -4.843 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.105 -7.020 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.487 -6.891 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.515 -5.577 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.128 -5.664 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.788 -7.372 4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.289 -8.139 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.212 -9.244 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.672 -8.496 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.469 -8.123 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.751 -6.699 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.282 -7.170 7.011 1.00 0.00 H new ATOM 284 N LEU A 38 -3.512 -2.796 5.142 1.00 0.00 N ATOM 285 CA LEU A 38 -4.286 -1.602 5.439 1.00 0.00 C ATOM 286 C LEU A 38 -5.678 -1.703 4.821 1.00 0.00 C ATOM 287 O LEU A 38 -5.832 -2.132 3.673 1.00 0.00 O ATOM 288 CB LEU A 38 -3.552 -0.356 4.923 1.00 0.00 C ATOM 289 CG LEU A 38 -4.434 0.861 4.639 1.00 0.00 C ATOM 290 CD1 LEU A 38 -4.994 1.433 5.931 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.643 1.915 3.886 1.00 0.00 C ATOM 0 H LEU A 38 -2.876 -2.699 4.351 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.399 -1.515 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.797 -0.072 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.024 -0.621 4.007 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.273 0.545 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.618 2.298 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.593 0.675 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.173 1.738 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.281 2.777 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.788 2.226 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.292 1.500 2.941 1.00 0.00 H new ATOM 303 N VAL A 39 -6.686 -1.316 5.595 1.00 0.00 N ATOM 304 CA VAL A 39 -8.064 -1.352 5.131 1.00 0.00 C ATOM 305 C VAL A 39 -8.321 -0.252 4.107 1.00 0.00 C ATOM 306 O VAL A 39 -8.165 0.933 4.399 1.00 0.00 O ATOM 307 CB VAL A 39 -9.058 -1.203 6.301 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.886 -2.343 7.292 1.00 0.00 C ATOM 309 CG2 VAL A 39 -8.880 0.141 6.992 1.00 0.00 C ATOM 0 H VAL A 39 -6.572 -0.973 6.549 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.219 -2.324 4.663 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.070 -1.246 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.595 -2.223 8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.070 -3.293 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.870 -2.332 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.591 0.225 7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.865 0.218 7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.056 0.944 6.277 1.00 0.00 H new ATOM 319 N VAL A 40 -8.710 -0.656 2.905 1.00 0.00 N ATOM 320 CA VAL A 40 -8.987 0.285 1.832 1.00 0.00 C ATOM 321 C VAL A 40 -10.355 0.015 1.224 1.00 0.00 C ATOM 322 O VAL A 40 -10.965 -1.022 1.482 1.00 0.00 O ATOM 323 CB VAL A 40 -7.913 0.206 0.728 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.573 0.690 1.253 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.798 -1.212 0.194 1.00 0.00 C ATOM 0 H VAL A 40 -8.841 -1.635 2.649 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.973 1.286 2.263 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.215 0.857 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.827 0.627 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.664 1.724 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.264 0.066 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.035 -1.247 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.520 -1.885 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.756 -1.523 -0.223 1.00 0.00 H new ATOM 335 N ARG A 41 -10.835 0.950 0.417 1.00 0.00 N ATOM 336 CA ARG A 41 -12.127 0.807 -0.225 1.00 0.00 C ATOM 337 C ARG A 41 -12.164 1.571 -1.543 1.00 0.00 C ATOM 338 O ARG A 41 -12.365 2.780 -1.555 1.00 0.00 O ATOM 339 CB ARG A 41 -13.235 1.290 0.713 1.00 0.00 C ATOM 340 CG ARG A 41 -14.631 1.215 0.115 1.00 0.00 C ATOM 341 CD ARG A 41 -15.079 2.558 -0.439 1.00 0.00 C ATOM 342 NE ARG A 41 -16.497 2.560 -0.790 1.00 0.00 N ATOM 343 CZ ARG A 41 -17.223 3.665 -0.939 1.00 0.00 C ATOM 344 NH1 ARG A 41 -16.668 4.860 -0.771 1.00 0.00 N ATOM 345 NH2 ARG A 41 -18.507 3.578 -1.258 1.00 0.00 N ATOM 0 H ARG A 41 -10.346 1.816 0.193 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.291 -0.248 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.210 0.694 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.029 2.321 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.646 0.470 -0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.336 0.882 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.887 3.337 0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.487 2.802 -1.321 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.958 1.661 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.680 4.934 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.229 5.704 -0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.939 2.663 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.063 4.426 -1.372 1.00 0.00 H new ATOM 359 N SER A 42 -11.930 0.843 -2.635 1.00 0.00 N ATOM 360 CA SER A 42 -11.938 1.370 -4.007 1.00 0.00 C ATOM 361 C SER A 42 -11.295 2.755 -4.165 1.00 0.00 C ATOM 362 O SER A 42 -10.478 2.957 -5.064 1.00 0.00 O ATOM 363 CB SER A 42 -13.373 1.416 -4.535 1.00 0.00 C ATOM 364 OG SER A 42 -14.183 2.259 -3.735 1.00 0.00 O ATOM 0 H SER A 42 -11.724 -0.155 -2.593 1.00 0.00 H new ATOM 0 HA SER A 42 -11.323 0.683 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.374 1.775 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.792 0.410 -4.548 1.00 0.00 H new ATOM 0 HG SER A 42 -15.095 2.273 -4.094 1.00 0.00 H new ATOM 370 N THR A 43 -11.650 3.702 -3.308 1.00 0.00 N ATOM 371 CA THR A 43 -11.078 5.037 -3.375 1.00 0.00 C ATOM 372 C THR A 43 -9.792 5.123 -2.562 1.00 0.00 C ATOM 373 O THR A 43 -9.050 6.100 -2.663 1.00 0.00 O ATOM 374 CB THR A 43 -12.068 6.103 -2.865 1.00 0.00 C ATOM 375 OG1 THR A 43 -11.479 7.405 -2.959 1.00 0.00 O ATOM 376 CG2 THR A 43 -12.469 5.828 -1.424 1.00 0.00 C ATOM 0 H THR A 43 -12.330 3.570 -2.560 1.00 0.00 H new ATOM 0 HA THR A 43 -10.857 5.233 -4.424 1.00 0.00 H new ATOM 0 HB THR A 43 -12.961 6.061 -3.488 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.504 7.320 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.168 6.594 -1.088 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.945 4.849 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.582 5.843 -0.790 1.00 0.00 H new ATOM 384 N ASP A 44 -9.529 4.097 -1.754 1.00 0.00 N ATOM 385 CA ASP A 44 -8.325 4.076 -0.932 1.00 0.00 C ATOM 386 C ASP A 44 -7.207 3.279 -1.606 1.00 0.00 C ATOM 387 O ASP A 44 -6.459 2.559 -0.945 1.00 0.00 O ATOM 388 CB ASP A 44 -8.627 3.494 0.448 1.00 0.00 C ATOM 389 CG ASP A 44 -9.694 4.278 1.187 1.00 0.00 C ATOM 390 OD1 ASP A 44 -10.888 3.944 1.035 1.00 0.00 O ATOM 391 OD2 ASP A 44 -9.336 5.225 1.917 1.00 0.00 O ATOM 0 H ASP A 44 -10.128 3.278 -1.653 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.986 5.105 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.951 2.459 0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.713 3.482 1.042 1.00 0.00 H new ATOM 396 N THR A 45 -7.102 3.416 -2.926 1.00 0.00 N ATOM 397 CA THR A 45 -6.073 2.722 -3.699 1.00 0.00 C ATOM 398 C THR A 45 -4.677 3.045 -3.174 1.00 0.00 C ATOM 399 O THR A 45 -4.519 3.921 -2.333 1.00 0.00 O ATOM 400 CB THR A 45 -6.148 3.113 -5.185 1.00 0.00 C ATOM 401 OG1 THR A 45 -5.887 4.512 -5.334 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.519 2.786 -5.756 1.00 0.00 C ATOM 0 H THR A 45 -7.720 4.004 -3.485 1.00 0.00 H new ATOM 0 HA THR A 45 -6.257 1.653 -3.593 1.00 0.00 H new ATOM 0 HB THR A 45 -5.396 2.543 -5.730 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.229 4.818 -6.200 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.552 3.070 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.706 1.716 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.283 3.337 -5.207 1.00 0.00 H new ATOM 410 N VAL A 46 -3.677 2.331 -3.693 1.00 0.00 N ATOM 411 CA VAL A 46 -2.270 2.501 -3.306 1.00 0.00 C ATOM 412 C VAL A 46 -1.944 3.916 -2.806 1.00 0.00 C ATOM 413 O VAL A 46 -1.115 4.081 -1.916 1.00 0.00 O ATOM 414 CB VAL A 46 -1.333 2.118 -4.481 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.033 2.906 -4.443 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.045 0.618 -4.458 1.00 0.00 C ATOM 0 H VAL A 46 -3.819 1.611 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.100 1.827 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.844 2.370 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.597 2.610 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.251 3.972 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.489 2.702 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.386 0.361 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.563 0.355 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.980 0.066 -4.553 1.00 0.00 H new ATOM 426 N PHE A 47 -2.586 4.930 -3.376 1.00 0.00 N ATOM 427 CA PHE A 47 -2.351 6.308 -2.948 1.00 0.00 C ATOM 428 C PHE A 47 -2.773 6.458 -1.504 1.00 0.00 C ATOM 429 O PHE A 47 -1.939 6.660 -0.623 1.00 0.00 O ATOM 430 CB PHE A 47 -3.119 7.288 -3.830 1.00 0.00 C ATOM 431 CG PHE A 47 -2.935 8.726 -3.436 1.00 0.00 C ATOM 432 CD1 PHE A 47 -3.729 9.296 -2.452 1.00 0.00 C ATOM 433 CD2 PHE A 47 -1.970 9.508 -4.049 1.00 0.00 C ATOM 434 CE1 PHE A 47 -3.561 10.619 -2.088 1.00 0.00 C ATOM 435 CE2 PHE A 47 -1.798 10.831 -3.689 1.00 0.00 C ATOM 436 CZ PHE A 47 -2.595 11.388 -2.707 1.00 0.00 C ATOM 0 H PHE A 47 -3.267 4.828 -4.128 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.289 6.534 -3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.799 7.160 -4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.180 7.043 -3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.487 8.700 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.344 9.079 -4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.185 11.051 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.041 11.429 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.463 12.422 -2.424 1.00 0.00 H new ATOM 446 N HIS A 48 -4.073 6.363 -1.260 1.00 0.00 N ATOM 447 CA HIS A 48 -4.578 6.438 0.095 1.00 0.00 C ATOM 448 C HIS A 48 -3.971 5.296 0.885 1.00 0.00 C ATOM 449 O HIS A 48 -3.596 5.449 2.046 1.00 0.00 O ATOM 450 CB HIS A 48 -6.091 6.336 0.119 1.00 0.00 C ATOM 451 CG HIS A 48 -6.780 7.398 -0.681 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.509 8.418 -0.108 1.00 0.00 N ATOM 453 CD2 HIS A 48 -6.847 7.596 -2.019 1.00 0.00 C ATOM 454 CE1 HIS A 48 -7.997 9.197 -1.057 1.00 0.00 C ATOM 455 NE2 HIS A 48 -7.609 8.719 -2.225 1.00 0.00 N ATOM 0 H HIS A 48 -4.787 6.235 -1.977 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.305 7.398 0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.386 5.358 -0.262 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.434 6.393 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.387 6.985 -2.781 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.608 10.074 -0.904 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.839 9.120 -3.134 1.00 0.00 H new ATOM 464 N MET A 49 -3.886 4.136 0.231 1.00 0.00 N ATOM 465 CA MET A 49 -3.271 2.970 0.832 1.00 0.00 C ATOM 466 C MET A 49 -1.943 3.396 1.431 1.00 0.00 C ATOM 467 O MET A 49 -1.598 3.042 2.556 1.00 0.00 O ATOM 468 CB MET A 49 -3.038 1.880 -0.215 1.00 0.00 C ATOM 469 CG MET A 49 -3.000 0.477 0.367 1.00 0.00 C ATOM 470 SD MET A 49 -2.748 -0.790 -0.890 1.00 0.00 S ATOM 471 CE MET A 49 -4.181 -0.522 -1.932 1.00 0.00 C ATOM 0 H MET A 49 -4.238 3.987 -0.715 1.00 0.00 H new ATOM 0 HA MET A 49 -3.928 2.564 1.601 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.828 1.932 -0.964 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.097 2.077 -0.729 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.200 0.416 1.105 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.934 0.281 0.893 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.708 -1.465 -2.076 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.848 0.197 -1.456 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.860 -0.134 -2.899 1.00 0.00 H new ATOM 481 N LYS A 50 -1.217 4.188 0.649 1.00 0.00 N ATOM 482 CA LYS A 50 0.062 4.728 1.067 1.00 0.00 C ATOM 483 C LYS A 50 -0.169 5.834 2.085 1.00 0.00 C ATOM 484 O LYS A 50 0.621 6.023 3.008 1.00 0.00 O ATOM 485 CB LYS A 50 0.840 5.271 -0.132 1.00 0.00 C ATOM 486 CG LYS A 50 1.592 4.204 -0.908 1.00 0.00 C ATOM 487 CD LYS A 50 2.533 3.420 -0.010 1.00 0.00 C ATOM 488 CE LYS A 50 3.416 2.489 -0.820 1.00 0.00 C ATOM 489 NZ LYS A 50 2.612 1.472 -1.553 1.00 0.00 N ATOM 0 H LYS A 50 -1.502 4.470 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 50 0.652 3.931 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.147 5.776 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.549 6.022 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.880 3.522 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.160 4.671 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.155 4.110 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.955 2.842 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.004 3.070 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.122 1.988 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.238 0.907 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.137 0.848 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.899 1.950 -2.140 1.00 0.00 H new ATOM 503 N ARG A 51 -1.270 6.565 1.902 1.00 0.00 N ATOM 504 CA ARG A 51 -1.632 7.639 2.813 1.00 0.00 C ATOM 505 C ARG A 51 -1.711 7.091 4.233 1.00 0.00 C ATOM 506 O ARG A 51 -0.897 7.421 5.103 1.00 0.00 O ATOM 507 CB ARG A 51 -2.973 8.259 2.413 1.00 0.00 C ATOM 508 CG ARG A 51 -3.343 9.486 3.228 1.00 0.00 C ATOM 509 CD ARG A 51 -2.366 10.627 2.995 1.00 0.00 C ATOM 510 NE ARG A 51 -2.736 11.825 3.743 1.00 0.00 N ATOM 511 CZ ARG A 51 -2.073 12.977 3.674 1.00 0.00 C ATOM 512 NH1 ARG A 51 -1.007 13.092 2.893 1.00 0.00 N ATOM 513 NH2 ARG A 51 -2.478 14.018 4.390 1.00 0.00 N ATOM 0 H ARG A 51 -1.923 6.429 1.130 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.870 8.417 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.938 8.531 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.757 7.510 2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.350 9.809 2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.358 9.229 4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.364 10.312 3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.329 10.861 1.931 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.551 11.776 4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.691 12.295 2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.503 13.978 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.297 13.935 4.993 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.971 14.901 4.338 1.00 0.00 H new ATOM 527 N ARG A 52 -2.692 6.230 4.456 1.00 0.00 N ATOM 528 CA ARG A 52 -2.864 5.608 5.755 1.00 0.00 C ATOM 529 C ARG A 52 -1.623 4.794 6.095 1.00 0.00 C ATOM 530 O ARG A 52 -1.325 4.563 7.267 1.00 0.00 O ATOM 531 CB ARG A 52 -4.112 4.725 5.771 1.00 0.00 C ATOM 532 CG ARG A 52 -5.405 5.500 5.580 1.00 0.00 C ATOM 533 CD ARG A 52 -6.618 4.587 5.640 1.00 0.00 C ATOM 534 NE ARG A 52 -6.744 3.928 6.938 1.00 0.00 N ATOM 535 CZ ARG A 52 -7.844 3.302 7.348 1.00 0.00 C ATOM 536 NH1 ARG A 52 -8.916 3.249 6.567 1.00 0.00 N ATOM 537 NH2 ARG A 52 -7.873 2.726 8.542 1.00 0.00 N ATOM 0 H ARG A 52 -3.378 5.948 3.755 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.997 6.385 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.027 3.975 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.156 4.189 6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.488 6.267 6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.383 6.014 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.519 5.167 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.543 3.833 4.856 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.941 3.949 7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.899 3.690 5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.757 2.768 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.052 2.763 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.716 2.246 8.856 1.00 0.00 H new ATOM 551 N LEU A 53 -0.895 4.358 5.059 1.00 0.00 N ATOM 552 CA LEU A 53 0.334 3.603 5.268 1.00 0.00 C ATOM 553 C LEU A 53 1.302 4.430 6.096 1.00 0.00 C ATOM 554 O LEU A 53 1.942 3.920 7.015 1.00 0.00 O ATOM 555 CB LEU A 53 0.961 3.213 3.933 1.00 0.00 C ATOM 556 CG LEU A 53 1.031 1.707 3.667 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.067 1.054 4.568 1.00 0.00 C ATOM 558 CD2 LEU A 53 -0.334 1.059 3.867 1.00 0.00 C ATOM 0 H LEU A 53 -1.137 4.516 4.081 1.00 0.00 H new ATOM 0 HA LEU A 53 0.101 2.685 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.392 3.682 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.970 3.622 3.889 1.00 0.00 H new ATOM 0 HG LEU A 53 1.331 1.558 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.103 -0.016 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.046 1.493 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.796 1.216 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.261 -0.011 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.666 1.220 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.053 1.504 3.179 1.00 0.00 H new ATOM 570 N HIS A 54 1.401 5.712 5.767 1.00 0.00 N ATOM 571 CA HIS A 54 2.265 6.609 6.510 1.00 0.00 C ATOM 572 C HIS A 54 1.721 6.757 7.920 1.00 0.00 C ATOM 573 O HIS A 54 2.475 6.831 8.890 1.00 0.00 O ATOM 574 CB HIS A 54 2.367 7.973 5.813 1.00 0.00 C ATOM 575 CG HIS A 54 1.256 8.937 6.122 1.00 0.00 C ATOM 576 ND1 HIS A 54 0.453 9.495 5.149 1.00 0.00 N ATOM 577 CD2 HIS A 54 0.836 9.464 7.299 1.00 0.00 C ATOM 578 CE1 HIS A 54 -0.411 10.322 5.713 1.00 0.00 C ATOM 579 NE2 HIS A 54 -0.200 10.320 7.015 1.00 0.00 N ATOM 0 H HIS A 54 0.896 6.148 4.995 1.00 0.00 H new ATOM 0 HA HIS A 54 3.271 6.192 6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.314 8.435 6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.396 7.811 4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.241 9.250 8.277 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.162 10.901 5.196 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.722 10.866 7.700 1.00 0.00 H new ATOM 588 N ALA A 55 0.396 6.797 8.017 1.00 0.00 N ATOM 589 CA ALA A 55 -0.268 6.912 9.306 1.00 0.00 C ATOM 590 C ALA A 55 -0.055 5.648 10.134 1.00 0.00 C ATOM 591 O ALA A 55 0.000 5.703 11.363 1.00 0.00 O ATOM 592 CB ALA A 55 -1.754 7.180 9.115 1.00 0.00 C ATOM 0 H ALA A 55 -0.237 6.751 7.218 1.00 0.00 H new ATOM 0 HA ALA A 55 0.169 7.752 9.845 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.237 7.263 10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.888 8.110 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.203 6.359 8.557 1.00 0.00 H new ATOM 598 N ALA A 56 0.063 4.508 9.454 1.00 0.00 N ATOM 599 CA ALA A 56 0.269 3.233 10.131 1.00 0.00 C ATOM 600 C ALA A 56 1.712 3.067 10.607 1.00 0.00 C ATOM 601 O ALA A 56 1.972 3.016 11.809 1.00 0.00 O ATOM 602 CB ALA A 56 -0.117 2.084 9.212 1.00 0.00 C ATOM 0 H ALA A 56 0.019 4.444 8.437 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.371 3.221 11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.041 1.137 9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.167 2.176 8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.499 2.115 8.313 1.00 0.00 H new ATOM 608 N GLU A 57 2.648 2.983 9.662 1.00 0.00 N ATOM 609 CA GLU A 57 4.057 2.799 10.001 1.00 0.00 C ATOM 610 C GLU A 57 4.789 4.130 10.177 1.00 0.00 C ATOM 611 O GLU A 57 5.489 4.331 11.169 1.00 0.00 O ATOM 612 CB GLU A 57 4.758 1.955 8.933 1.00 0.00 C ATOM 613 CG GLU A 57 4.855 2.638 7.581 1.00 0.00 C ATOM 614 CD GLU A 57 5.524 1.769 6.536 1.00 0.00 C ATOM 615 OE1 GLU A 57 6.740 1.516 6.663 1.00 0.00 O ATOM 616 OE2 GLU A 57 4.830 1.340 5.591 1.00 0.00 O ATOM 0 H GLU A 57 2.457 3.039 8.662 1.00 0.00 H new ATOM 0 HA GLU A 57 4.090 2.277 10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.762 1.709 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.221 1.013 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.855 2.905 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.414 3.568 7.687 1.00 0.00 H new ATOM 623 N GLY A 58 4.629 5.040 9.216 1.00 0.00 N ATOM 624 CA GLY A 58 5.302 6.326 9.302 1.00 0.00 C ATOM 625 C GLY A 58 5.955 6.742 7.993 1.00 0.00 C ATOM 626 O GLY A 58 6.757 7.675 7.963 1.00 0.00 O ATOM 0 H GLY A 58 4.050 4.911 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.582 7.088 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.061 6.281 10.083 1.00 0.00 H new ATOM 630 N VAL A 59 5.611 6.050 6.910 1.00 0.00 N ATOM 631 CA VAL A 59 6.151 6.354 5.595 1.00 0.00 C ATOM 632 C VAL A 59 5.271 7.387 4.896 1.00 0.00 C ATOM 633 O VAL A 59 4.448 7.044 4.049 1.00 0.00 O ATOM 634 CB VAL A 59 6.237 5.062 4.746 1.00 0.00 C ATOM 635 CG1 VAL A 59 6.484 5.361 3.274 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.326 4.151 5.292 1.00 0.00 C ATOM 0 H VAL A 59 4.955 5.269 6.922 1.00 0.00 H new ATOM 0 HA VAL A 59 7.154 6.766 5.709 1.00 0.00 H new ATOM 0 HB VAL A 59 5.274 4.556 4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.537 4.426 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.668 5.970 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.424 5.902 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.379 3.245 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.285 4.668 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.096 3.886 6.324 1.00 0.00 H new ATOM 682 N SER A 63 8.944 7.965 0.813 1.00 0.00 N ATOM 683 CA SER A 63 9.224 6.602 1.246 1.00 0.00 C ATOM 684 C SER A 63 8.130 5.632 0.808 1.00 0.00 C ATOM 685 O SER A 63 8.292 4.419 0.919 1.00 0.00 O ATOM 686 CB SER A 63 9.382 6.558 2.769 1.00 0.00 C ATOM 687 OG SER A 63 8.372 7.310 3.426 1.00 0.00 O ATOM 0 HA SER A 63 10.154 6.289 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.343 5.523 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.362 6.947 3.044 1.00 0.00 H new ATOM 0 HG SER A 63 7.993 7.964 2.802 1.00 0.00 H new ATOM 693 N GLN A 64 7.010 6.161 0.323 1.00 0.00 N ATOM 694 CA GLN A 64 5.913 5.315 -0.127 1.00 0.00 C ATOM 695 C GLN A 64 6.179 4.791 -1.536 1.00 0.00 C ATOM 696 O GLN A 64 5.507 5.185 -2.491 1.00 0.00 O ATOM 697 CB GLN A 64 4.596 6.099 -0.111 1.00 0.00 C ATOM 698 CG GLN A 64 4.097 6.459 1.282 1.00 0.00 C ATOM 699 CD GLN A 64 3.120 7.620 1.258 1.00 0.00 C ATOM 700 OE1 GLN A 64 2.473 7.884 0.243 1.00 0.00 O ATOM 701 NE2 GLN A 64 3.003 8.314 2.380 1.00 0.00 N ATOM 0 H GLN A 64 6.840 7.163 0.233 1.00 0.00 H new ATOM 0 HA GLN A 64 5.836 4.468 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.726 7.016 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.831 5.511 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.615 5.590 1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.946 6.714 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.559 8.060 3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.357 9.102 2.427 1.00 0.00 H new ATOM 710 N ARG A 65 7.161 3.898 -1.669 1.00 0.00 N ATOM 711 CA ARG A 65 7.487 3.326 -2.970 1.00 0.00 C ATOM 712 C ARG A 65 6.637 2.087 -3.235 1.00 0.00 C ATOM 713 O ARG A 65 6.915 1.011 -2.715 1.00 0.00 O ATOM 714 CB ARG A 65 8.975 2.980 -3.041 1.00 0.00 C ATOM 715 CG ARG A 65 9.883 4.194 -2.914 1.00 0.00 C ATOM 716 CD ARG A 65 11.352 3.802 -2.928 1.00 0.00 C ATOM 717 NE ARG A 65 12.229 4.968 -3.002 1.00 0.00 N ATOM 718 CZ ARG A 65 13.553 4.907 -2.885 1.00 0.00 C ATOM 719 NH1 ARG A 65 14.156 3.740 -2.691 1.00 0.00 N ATOM 720 NH2 ARG A 65 14.278 6.014 -2.965 1.00 0.00 N ATOM 0 H ARG A 65 7.737 3.560 -0.898 1.00 0.00 H new ATOM 0 HA ARG A 65 7.267 4.066 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.214 2.272 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.180 2.480 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.683 4.885 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.656 4.723 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.583 3.231 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.545 3.149 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 65 11.802 5.882 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.604 2.884 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.171 3.699 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.821 6.913 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.293 5.967 -2.875 1.00 0.00 H new ATOM 734 N TRP A 66 5.601 2.259 -4.052 1.00 0.00 N ATOM 735 CA TRP A 66 4.674 1.172 -4.388 1.00 0.00 C ATOM 736 C TRP A 66 5.240 0.240 -5.461 1.00 0.00 C ATOM 737 O TRP A 66 5.690 0.687 -6.516 1.00 0.00 O ATOM 738 CB TRP A 66 3.337 1.753 -4.861 1.00 0.00 C ATOM 739 CG TRP A 66 3.485 2.986 -5.706 1.00 0.00 C ATOM 740 CD1 TRP A 66 4.143 3.093 -6.897 1.00 0.00 C ATOM 741 CD2 TRP A 66 2.974 4.292 -5.412 1.00 0.00 C ATOM 742 NE1 TRP A 66 4.065 4.382 -7.366 1.00 0.00 N ATOM 743 CE2 TRP A 66 3.355 5.137 -6.471 1.00 0.00 C ATOM 744 CE3 TRP A 66 2.229 4.827 -4.359 1.00 0.00 C ATOM 745 CZ2 TRP A 66 3.015 6.487 -6.505 1.00 0.00 C ATOM 746 CZ3 TRP A 66 1.893 6.168 -4.393 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.286 6.985 -5.460 1.00 0.00 C ATOM 0 H TRP A 66 5.378 3.148 -4.499 1.00 0.00 H new ATOM 0 HA TRP A 66 4.524 0.581 -3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.801 0.994 -5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.725 1.990 -3.991 1.00 0.00 H new ATOM 0 HD1 TRP A 66 4.651 2.282 -7.398 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.470 4.721 -8.239 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.921 4.204 -3.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 3.316 7.119 -7.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.318 6.592 -3.583 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.008 8.029 -5.458 1.00 0.00 H new ATOM 758 N PHE A 67 5.177 -1.065 -5.198 1.00 0.00 N ATOM 759 CA PHE A 67 5.692 -2.061 -6.134 1.00 0.00 C ATOM 760 C PHE A 67 4.994 -3.407 -5.953 1.00 0.00 C ATOM 761 O PHE A 67 5.049 -4.002 -4.882 1.00 0.00 O ATOM 762 CB PHE A 67 7.198 -2.247 -5.940 1.00 0.00 C ATOM 763 CG PHE A 67 8.018 -1.060 -6.359 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.033 -0.643 -7.680 1.00 0.00 C ATOM 765 CD2 PHE A 67 8.781 -0.367 -5.433 1.00 0.00 C ATOM 766 CE1 PHE A 67 8.791 0.444 -8.070 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.542 0.721 -5.817 1.00 0.00 C ATOM 768 CZ PHE A 67 9.548 1.127 -7.136 1.00 0.00 C ATOM 0 H PHE A 67 4.775 -1.456 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 67 5.493 -1.696 -7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.395 -2.460 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.522 -3.119 -6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.445 -1.174 -8.414 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.781 -0.681 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.792 0.760 -9.103 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.132 1.253 -5.085 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.143 1.976 -7.438 1.00 0.00 H new ATOM 778 N PHE A 68 4.344 -3.884 -7.010 1.00 0.00 N ATOM 779 CA PHE A 68 3.652 -5.169 -6.966 1.00 0.00 C ATOM 780 C PHE A 68 4.200 -6.113 -8.031 1.00 0.00 C ATOM 781 O PHE A 68 4.229 -5.778 -9.214 1.00 0.00 O ATOM 782 CB PHE A 68 2.153 -4.982 -7.180 1.00 0.00 C ATOM 783 CG PHE A 68 1.349 -6.224 -6.921 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.211 -7.193 -7.903 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.731 -6.424 -5.698 1.00 0.00 C ATOM 786 CE1 PHE A 68 0.472 -8.336 -7.668 1.00 0.00 C ATOM 787 CE2 PHE A 68 -0.009 -7.565 -5.457 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.139 -8.523 -6.443 1.00 0.00 C ATOM 0 H PHE A 68 4.282 -3.401 -7.906 1.00 0.00 H new ATOM 0 HA PHE A 68 3.821 -5.604 -5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.798 -4.186 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.979 -4.654 -8.205 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.687 -7.053 -8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.829 -5.678 -4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.372 -9.083 -8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.485 -7.708 -4.498 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.717 -9.416 -6.257 1.00 0.00 H new ATOM 798 N SER A 69 4.637 -7.293 -7.603 1.00 0.00 N ATOM 799 CA SER A 69 5.184 -8.289 -8.520 1.00 0.00 C ATOM 800 C SER A 69 6.473 -7.799 -9.180 1.00 0.00 C ATOM 801 O SER A 69 6.978 -8.430 -10.109 1.00 0.00 O ATOM 802 CB SER A 69 4.153 -8.646 -9.594 1.00 0.00 C ATOM 803 OG SER A 69 2.972 -9.169 -9.013 1.00 0.00 O ATOM 0 H SER A 69 4.623 -7.584 -6.625 1.00 0.00 H new ATOM 0 HA SER A 69 5.421 -9.178 -7.936 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.912 -7.759 -10.180 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.578 -9.377 -10.282 1.00 0.00 H new ATOM 0 HG SER A 69 2.529 -8.470 -8.488 1.00 0.00 H new ATOM 809 N GLY A 70 7.004 -6.676 -8.702 1.00 0.00 N ATOM 810 CA GLY A 70 8.231 -6.141 -9.264 1.00 0.00 C ATOM 811 C GLY A 70 7.998 -4.957 -10.185 1.00 0.00 C ATOM 812 O GLY A 70 8.887 -4.577 -10.949 1.00 0.00 O ATOM 0 H GLY A 70 6.607 -6.129 -7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.893 -5.838 -8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.744 -6.928 -9.817 1.00 0.00 H new ATOM 816 N ARG A 71 6.807 -4.372 -10.119 1.00 0.00 N ATOM 817 CA ARG A 71 6.475 -3.222 -10.953 1.00 0.00 C ATOM 818 C ARG A 71 5.883 -2.099 -10.106 1.00 0.00 C ATOM 819 O ARG A 71 5.181 -2.358 -9.130 1.00 0.00 O ATOM 820 CB ARG A 71 5.486 -3.619 -12.051 1.00 0.00 C ATOM 821 CG ARG A 71 5.932 -4.818 -12.874 1.00 0.00 C ATOM 822 CD ARG A 71 5.265 -6.098 -12.397 1.00 0.00 C ATOM 823 NE ARG A 71 3.811 -6.037 -12.530 1.00 0.00 N ATOM 824 CZ ARG A 71 3.021 -7.108 -12.533 1.00 0.00 C ATOM 825 NH1 ARG A 71 3.537 -8.323 -12.408 1.00 0.00 N ATOM 826 NH2 ARG A 71 1.709 -6.962 -12.662 1.00 0.00 N ATOM 0 H ARG A 71 6.056 -4.674 -9.498 1.00 0.00 H new ATOM 0 HA ARG A 71 7.394 -2.867 -11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.521 -3.842 -11.595 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.336 -2.769 -12.716 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.692 -4.650 -13.924 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.015 -4.924 -12.808 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.647 -6.942 -12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.527 -6.277 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 71 3.376 -5.119 -12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.545 -8.441 -12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.926 -9.139 -12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.307 -6.030 -12.759 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.102 -7.782 -12.664 1.00 0.00 H new ATOM 840 N PRO A 72 6.149 -0.833 -10.475 1.00 0.00 N ATOM 841 CA PRO A 72 5.638 0.326 -9.735 1.00 0.00 C ATOM 842 C PRO A 72 4.131 0.472 -9.886 1.00 0.00 C ATOM 843 O PRO A 72 3.618 0.581 -11.000 1.00 0.00 O ATOM 844 CB PRO A 72 6.358 1.510 -10.383 1.00 0.00 C ATOM 845 CG PRO A 72 6.700 1.043 -11.755 1.00 0.00 C ATOM 846 CD PRO A 72 6.964 -0.433 -11.637 1.00 0.00 C ATOM 0 HA PRO A 72 5.817 0.243 -8.663 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.719 2.393 -10.413 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.253 1.783 -9.824 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.882 1.239 -12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.576 1.567 -12.138 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.667 -0.968 -12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.022 -0.641 -11.477 1.00 0.00 H new ATOM 854 N LEU A 73 3.422 0.478 -8.761 1.00 0.00 N ATOM 855 CA LEU A 73 1.965 0.594 -8.789 1.00 0.00 C ATOM 856 C LEU A 73 1.511 2.048 -8.898 1.00 0.00 C ATOM 857 O LEU A 73 2.297 2.975 -8.719 1.00 0.00 O ATOM 858 CB LEU A 73 1.358 -0.066 -7.549 1.00 0.00 C ATOM 859 CG LEU A 73 0.642 -1.391 -7.823 1.00 0.00 C ATOM 860 CD1 LEU A 73 1.534 -2.338 -8.610 1.00 0.00 C ATOM 861 CD2 LEU A 73 0.176 -2.035 -6.528 1.00 0.00 C ATOM 0 H LEU A 73 3.826 0.405 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 73 1.609 0.075 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.150 -0.239 -6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.651 0.627 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.239 -1.178 -8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.002 -3.272 -8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.799 -1.880 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.441 -2.542 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.330 -2.975 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.037 -2.229 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.514 -1.364 -6.016 1.00 0.00 H new ATOM 872 N THR A 74 0.228 2.232 -9.195 1.00 0.00 N ATOM 873 CA THR A 74 -0.345 3.563 -9.343 1.00 0.00 C ATOM 874 C THR A 74 -1.272 3.912 -8.181 1.00 0.00 C ATOM 875 O THR A 74 -1.435 3.136 -7.243 1.00 0.00 O ATOM 876 CB THR A 74 -1.129 3.686 -10.662 1.00 0.00 C ATOM 877 OG1 THR A 74 -2.244 2.787 -10.656 1.00 0.00 O ATOM 878 CG2 THR A 74 -0.234 3.381 -11.853 1.00 0.00 C ATOM 0 H THR A 74 -0.436 1.471 -9.338 1.00 0.00 H new ATOM 0 HA THR A 74 0.491 4.263 -9.350 1.00 0.00 H new ATOM 0 HB THR A 74 -1.489 4.711 -10.750 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.826 2.983 -11.420 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.810 3.474 -12.774 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.598 4.085 -11.872 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.152 2.365 -11.767 1.00 0.00 H new ATOM 886 N ASP A 75 -1.876 5.090 -8.272 1.00 0.00 N ATOM 887 CA ASP A 75 -2.789 5.599 -7.254 1.00 0.00 C ATOM 888 C ASP A 75 -4.229 5.190 -7.546 1.00 0.00 C ATOM 889 O ASP A 75 -5.168 5.910 -7.210 1.00 0.00 O ATOM 890 CB ASP A 75 -2.695 7.125 -7.196 1.00 0.00 C ATOM 891 CG ASP A 75 -2.848 7.768 -8.561 1.00 0.00 C ATOM 892 OD1 ASP A 75 -1.820 7.957 -9.245 1.00 0.00 O ATOM 893 OD2 ASP A 75 -3.993 8.083 -8.944 1.00 0.00 O ATOM 0 H ASP A 75 -1.746 5.725 -9.060 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.499 5.170 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.467 7.508 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.734 7.411 -6.769 1.00 0.00 H new ATOM 898 N LYS A 76 -4.394 4.037 -8.179 1.00 0.00 N ATOM 899 CA LYS A 76 -5.715 3.528 -8.517 1.00 0.00 C ATOM 900 C LYS A 76 -5.668 2.019 -8.675 1.00 0.00 C ATOM 901 O LYS A 76 -6.380 1.444 -9.495 1.00 0.00 O ATOM 902 CB LYS A 76 -6.219 4.178 -9.806 1.00 0.00 C ATOM 903 CG LYS A 76 -6.598 5.641 -9.642 1.00 0.00 C ATOM 904 CD LYS A 76 -7.164 6.219 -10.928 1.00 0.00 C ATOM 905 CE LYS A 76 -7.601 7.665 -10.744 1.00 0.00 C ATOM 906 NZ LYS A 76 -8.660 7.797 -9.705 1.00 0.00 N ATOM 0 H LYS A 76 -3.625 3.434 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.403 3.776 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.447 4.095 -10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.086 3.625 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.333 5.740 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.721 6.213 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.412 6.162 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.014 5.620 -11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.740 8.272 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.971 8.056 -11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.119 8.726 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.369 7.047 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.233 7.711 -8.761 1.00 0.00 H new ATOM 920 N MET A 77 -4.818 1.386 -7.877 1.00 0.00 N ATOM 921 CA MET A 77 -4.648 -0.060 -7.932 1.00 0.00 C ATOM 922 C MET A 77 -5.720 -0.821 -7.150 1.00 0.00 C ATOM 923 O MET A 77 -6.181 -1.871 -7.595 1.00 0.00 O ATOM 924 CB MET A 77 -3.269 -0.445 -7.395 1.00 0.00 C ATOM 925 CG MET A 77 -2.111 0.172 -8.164 1.00 0.00 C ATOM 926 SD MET A 77 -1.785 -0.663 -9.732 1.00 0.00 S ATOM 927 CE MET A 77 -3.120 -0.040 -10.750 1.00 0.00 C ATOM 0 H MET A 77 -4.234 1.852 -7.183 1.00 0.00 H new ATOM 0 HA MET A 77 -4.746 -0.343 -8.980 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.200 -0.142 -6.350 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.171 -1.530 -7.420 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.328 1.223 -8.356 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.213 0.139 -7.547 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.866 -0.822 -10.891 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.582 0.817 -10.260 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.726 0.265 -11.720 1.00 0.00 H new ATOM 937 N LYS A 78 -6.184 -0.266 -6.033 1.00 0.00 N ATOM 938 CA LYS A 78 -7.154 -0.980 -5.208 1.00 0.00 C ATOM 939 C LYS A 78 -8.391 -1.346 -6.016 1.00 0.00 C ATOM 940 O LYS A 78 -8.615 -2.522 -6.334 1.00 0.00 O ATOM 941 CB LYS A 78 -7.560 -0.140 -3.997 1.00 0.00 C ATOM 942 CG LYS A 78 -8.722 -0.713 -3.201 1.00 0.00 C ATOM 943 CD LYS A 78 -8.419 -2.113 -2.687 1.00 0.00 C ATOM 944 CE LYS A 78 -8.751 -3.176 -3.723 1.00 0.00 C ATOM 945 NZ LYS A 78 -9.077 -4.484 -3.093 1.00 0.00 N ATOM 0 H LYS A 78 -5.912 0.653 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.679 -1.897 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.699 -0.035 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.826 0.861 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.945 -0.057 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.613 -0.741 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.365 -2.182 -2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.991 -2.299 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.596 -2.843 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.905 -3.300 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.900 -5.251 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.481 -4.623 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.078 -4.494 -2.813 1.00 0.00 H new ATOM 959 N PHE A 79 -9.180 -0.343 -6.359 1.00 0.00 N ATOM 960 CA PHE A 79 -10.386 -0.566 -7.134 1.00 0.00 C ATOM 961 C PHE A 79 -10.069 -1.133 -8.520 1.00 0.00 C ATOM 962 O PHE A 79 -10.971 -1.586 -9.221 1.00 0.00 O ATOM 963 CB PHE A 79 -11.166 0.741 -7.297 1.00 0.00 C ATOM 964 CG PHE A 79 -12.473 0.573 -8.019 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.569 0.019 -7.378 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.605 0.970 -9.340 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.772 -0.136 -8.040 1.00 0.00 C ATOM 968 CE2 PHE A 79 -13.804 0.817 -10.008 1.00 0.00 C ATOM 969 CZ PHE A 79 -14.889 0.264 -9.358 1.00 0.00 C ATOM 0 H PHE A 79 -9.007 0.632 -6.113 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.989 -1.292 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.356 1.167 -6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.550 1.457 -7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.482 -0.296 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.760 1.404 -9.853 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.619 -0.569 -7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.893 1.130 -11.038 1.00 0.00 H new ATOM 0 HZ PHE A 79 -15.828 0.144 -9.878 1.00 0.00 H new ATOM 979 N GLU A 80 -8.797 -1.087 -8.930 1.00 0.00 N ATOM 980 CA GLU A 80 -8.413 -1.587 -10.248 1.00 0.00 C ATOM 981 C GLU A 80 -8.000 -3.054 -10.200 1.00 0.00 C ATOM 982 O GLU A 80 -8.036 -3.750 -11.214 1.00 0.00 O ATOM 983 CB GLU A 80 -7.277 -0.747 -10.833 1.00 0.00 C ATOM 984 CG GLU A 80 -6.853 -1.186 -12.227 1.00 0.00 C ATOM 985 CD GLU A 80 -5.749 -0.321 -12.802 1.00 0.00 C ATOM 986 OE1 GLU A 80 -6.032 0.843 -13.157 1.00 0.00 O ATOM 987 OE2 GLU A 80 -4.605 -0.808 -12.902 1.00 0.00 O ATOM 0 H GLU A 80 -8.027 -0.713 -8.375 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.289 -1.505 -10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.589 0.297 -10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.416 -0.800 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.516 -2.222 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.716 -1.155 -12.892 1.00 0.00 H new ATOM 994 N GLU A 81 -7.609 -3.518 -9.020 1.00 0.00 N ATOM 995 CA GLU A 81 -7.168 -4.890 -8.854 1.00 0.00 C ATOM 996 C GLU A 81 -8.340 -5.770 -8.470 1.00 0.00 C ATOM 997 O GLU A 81 -8.759 -6.639 -9.232 1.00 0.00 O ATOM 998 CB GLU A 81 -6.073 -4.971 -7.788 1.00 0.00 C ATOM 999 CG GLU A 81 -5.289 -6.273 -7.817 1.00 0.00 C ATOM 1000 CD GLU A 81 -4.533 -6.468 -9.116 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -3.367 -6.028 -9.198 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -5.107 -7.061 -10.054 1.00 0.00 O ATOM 0 H GLU A 81 -7.590 -2.961 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.758 -5.243 -9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.383 -4.138 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.526 -4.852 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.585 -6.288 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.973 -7.109 -7.670 1.00 0.00 H new ATOM 1009 N LEU A 82 -8.880 -5.518 -7.285 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.001 -6.291 -6.780 1.00 0.00 C ATOM 1011 C LEU A 82 -9.629 -7.767 -6.663 1.00 0.00 C ATOM 1012 O LEU A 82 -10.499 -8.622 -6.497 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.215 -6.148 -7.702 1.00 0.00 C ATOM 1014 CG LEU A 82 -11.597 -4.726 -8.111 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -11.541 -3.783 -6.919 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -10.701 -4.238 -9.234 1.00 0.00 C ATOM 0 H LEU A 82 -8.557 -4.782 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.253 -5.905 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.025 -6.724 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.074 -6.603 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.624 -4.739 -8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.817 -2.778 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.236 -4.125 -6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.530 -3.770 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.987 -3.224 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.663 -4.244 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.808 -4.895 -10.097 1.00 0.00 H new ATOM 1028 N LYS A 83 -8.332 -8.062 -6.742 1.00 0.00 N ATOM 1029 CA LYS A 83 -7.859 -9.438 -6.664 1.00 0.00 C ATOM 1030 C LYS A 83 -7.231 -9.737 -5.306 1.00 0.00 C ATOM 1031 O LYS A 83 -6.546 -10.746 -5.144 1.00 0.00 O ATOM 1032 CB LYS A 83 -6.835 -9.715 -7.769 1.00 0.00 C ATOM 1033 CG LYS A 83 -7.349 -9.482 -9.181 1.00 0.00 C ATOM 1034 CD LYS A 83 -8.367 -10.531 -9.589 1.00 0.00 C ATOM 1035 CE LYS A 83 -9.775 -10.102 -9.222 1.00 0.00 C ATOM 1036 NZ LYS A 83 -10.723 -11.251 -9.218 1.00 0.00 N ATOM 0 H LYS A 83 -7.594 -7.367 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.724 -10.088 -6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.963 -9.082 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.499 -10.749 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.801 -8.492 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.512 -9.496 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.305 -10.703 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.134 -11.477 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.767 -9.635 -8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.121 -9.349 -9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.674 -10.916 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.750 -11.682 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.408 -11.959 -8.524 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.463 -8.862 -4.335 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.907 -9.043 -3.002 1.00 0.00 C ATOM 1052 C ILE A 84 -7.979 -9.461 -1.998 1.00 0.00 C ATOM 1053 O ILE A 84 -8.676 -8.617 -1.435 1.00 0.00 O ATOM 1054 CB ILE A 84 -6.203 -7.758 -2.502 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -5.988 -7.799 -0.984 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -7.006 -6.525 -2.885 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -5.328 -9.068 -0.485 1.00 0.00 C ATOM 0 H ILE A 84 -8.031 -8.022 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.169 -9.841 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.226 -7.705 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.376 -6.945 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.952 -7.685 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.495 -5.632 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.102 -6.476 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.997 -6.582 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.213 -9.017 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.948 -9.926 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.348 -9.175 -0.950 1.00 0.00 H new ATOM 1069 N PRO A 85 -8.130 -10.776 -1.769 1.00 0.00 N ATOM 1070 CA PRO A 85 -9.095 -11.299 -0.808 1.00 0.00 C ATOM 1071 C PRO A 85 -8.540 -11.256 0.611 1.00 0.00 C ATOM 1072 O PRO A 85 -9.289 -11.117 1.578 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.286 -12.740 -1.268 1.00 0.00 C ATOM 1074 CG PRO A 85 -7.967 -13.119 -1.850 1.00 0.00 C ATOM 1075 CD PRO A 85 -7.384 -11.860 -2.442 1.00 0.00 C ATOM 0 HA PRO A 85 -10.021 -10.725 -0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.555 -13.391 -0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.084 -12.819 -2.006 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.308 -13.529 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.086 -13.888 -2.613 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.313 -11.787 -2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.518 -11.827 -3.523 1.00 0.00 H new ATOM 1083 N LYS A 86 -7.215 -11.369 0.718 1.00 0.00 N ATOM 1084 CA LYS A 86 -6.530 -11.348 2.012 1.00 0.00 C ATOM 1085 C LYS A 86 -5.045 -11.699 1.869 1.00 0.00 C ATOM 1086 O LYS A 86 -4.245 -11.396 2.753 1.00 0.00 O ATOM 1087 CB LYS A 86 -7.193 -12.327 2.989 1.00 0.00 C ATOM 1088 CG LYS A 86 -6.492 -12.420 4.335 1.00 0.00 C ATOM 1089 CD LYS A 86 -7.174 -13.422 5.251 1.00 0.00 C ATOM 1090 CE LYS A 86 -6.467 -13.521 6.592 1.00 0.00 C ATOM 1091 NZ LYS A 86 -7.120 -14.511 7.493 1.00 0.00 N ATOM 0 H LYS A 86 -6.591 -11.477 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.609 -10.334 2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.227 -12.022 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.219 -13.317 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.452 -12.711 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.483 -11.439 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.212 -13.127 5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.189 -14.402 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.427 -13.805 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.461 -12.542 7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.607 -14.548 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.105 -14.227 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.104 -15.450 7.047 1.00 0.00 H new ATOM 1105 N ASP A 87 -4.677 -12.336 0.756 1.00 0.00 N ATOM 1106 CA ASP A 87 -3.290 -12.738 0.530 1.00 0.00 C ATOM 1107 C ASP A 87 -2.492 -11.691 -0.250 1.00 0.00 C ATOM 1108 O ASP A 87 -1.351 -11.393 0.100 1.00 0.00 O ATOM 1109 CB ASP A 87 -3.246 -14.075 -0.211 1.00 0.00 C ATOM 1110 CG ASP A 87 -3.915 -14.005 -1.571 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -5.144 -14.215 -1.640 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -3.208 -13.741 -2.566 1.00 0.00 O ATOM 0 H ASP A 87 -5.317 -12.583 0.001 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.824 -12.837 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.208 -14.384 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.736 -14.838 0.393 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.087 -11.135 -1.306 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.400 -10.139 -2.134 1.00 0.00 C ATOM 1119 C TYR A 88 -1.698 -9.079 -1.285 1.00 0.00 C ATOM 1120 O TYR A 88 -2.257 -8.554 -0.317 1.00 0.00 O ATOM 1121 CB TYR A 88 -3.372 -9.480 -3.114 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.578 -10.275 -4.383 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.093 -11.565 -4.341 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -3.256 -9.736 -5.622 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.281 -12.295 -5.500 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -3.442 -10.460 -6.784 1.00 0.00 C ATOM 1127 CZ TYR A 88 -3.955 -11.738 -6.719 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.141 -12.461 -7.873 1.00 0.00 O ATOM 0 H TYR A 88 -4.036 -11.354 -1.608 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.635 -10.667 -2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.334 -9.341 -2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.000 -8.489 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.350 -12.004 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.854 -8.735 -5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.681 -13.297 -5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.186 -10.026 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.863 -11.924 -8.644 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.465 -8.766 -1.666 1.00 0.00 N ATOM 1139 CA VAL A 89 0.333 -7.789 -0.941 1.00 0.00 C ATOM 1140 C VAL A 89 1.185 -6.946 -1.885 1.00 0.00 C ATOM 1141 O VAL A 89 1.877 -7.477 -2.753 1.00 0.00 O ATOM 1142 CB VAL A 89 1.262 -8.493 0.068 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.180 -9.474 -0.648 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.075 -7.481 0.865 1.00 0.00 C ATOM 0 H VAL A 89 0.003 -9.176 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.363 -7.135 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 89 0.639 -9.049 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.829 -9.962 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.580 -10.226 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.789 -8.938 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.721 -8.006 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.686 -6.888 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.401 -6.823 1.413 1.00 0.00 H new ATOM 1154 N VAL A 90 1.130 -5.629 -1.710 1.00 0.00 N ATOM 1155 CA VAL A 90 1.927 -4.726 -2.527 1.00 0.00 C ATOM 1156 C VAL A 90 3.280 -4.507 -1.879 1.00 0.00 C ATOM 1157 O VAL A 90 3.368 -4.141 -0.705 1.00 0.00 O ATOM 1158 CB VAL A 90 1.245 -3.356 -2.737 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.064 -2.497 -3.693 1.00 0.00 C ATOM 1160 CG2 VAL A 90 -0.173 -3.536 -3.253 1.00 0.00 C ATOM 0 H VAL A 90 0.545 -5.167 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 90 2.038 -5.197 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 90 1.192 -2.845 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.571 -1.535 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.059 -2.338 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.149 -3.003 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.636 -2.559 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.149 -4.067 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.753 -4.111 -2.531 1.00 0.00 H new ATOM 1170 N GLN A 91 4.334 -4.751 -2.640 1.00 0.00 N ATOM 1171 CA GLN A 91 5.672 -4.565 -2.131 1.00 0.00 C ATOM 1172 C GLN A 91 5.988 -3.084 -2.114 1.00 0.00 C ATOM 1173 O GLN A 91 5.570 -2.344 -3.003 1.00 0.00 O ATOM 1174 CB GLN A 91 6.696 -5.329 -2.965 1.00 0.00 C ATOM 1175 CG GLN A 91 8.036 -5.464 -2.270 1.00 0.00 C ATOM 1176 CD GLN A 91 9.069 -4.487 -2.798 1.00 0.00 C ATOM 1177 OE1 GLN A 91 9.190 -3.366 -2.307 1.00 0.00 O ATOM 1178 NE2 GLN A 91 9.819 -4.910 -3.810 1.00 0.00 N ATOM 0 H GLN A 91 4.285 -5.076 -3.606 1.00 0.00 H new ATOM 0 HA GLN A 91 5.726 -4.963 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.307 -6.322 -3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.836 -4.818 -3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.904 -5.304 -1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.406 -6.482 -2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.685 -5.848 -4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.529 -4.296 -4.210 1.00 0.00 H new ATOM 1187 N VAL A 92 6.722 -2.653 -1.109 1.00 0.00 N ATOM 1188 CA VAL A 92 7.041 -1.247 -0.973 1.00 0.00 C ATOM 1189 C VAL A 92 8.506 -1.022 -0.633 1.00 0.00 C ATOM 1190 O VAL A 92 9.234 -1.960 -0.307 1.00 0.00 O ATOM 1191 CB VAL A 92 6.187 -0.631 0.137 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.711 -0.676 -0.200 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.427 -1.368 1.413 1.00 0.00 C ATOM 0 H VAL A 92 7.107 -3.252 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 92 6.833 -0.775 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 92 6.476 0.415 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.138 -0.229 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.531 -0.119 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.400 -1.712 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.820 -0.931 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.156 -2.416 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.481 -1.296 1.682 1.00 0.00 H new ATOM 1203 N ILE A 93 8.924 0.236 -0.695 1.00 0.00 N ATOM 1204 CA ILE A 93 10.292 0.596 -0.376 1.00 0.00 C ATOM 1205 C ILE A 93 10.356 1.974 0.272 1.00 0.00 C ATOM 1206 O ILE A 93 9.775 2.943 -0.225 1.00 0.00 O ATOM 1207 CB ILE A 93 11.195 0.583 -1.620 1.00 0.00 C ATOM 1208 CG1 ILE A 93 10.934 -0.670 -2.457 1.00 0.00 C ATOM 1209 CG2 ILE A 93 12.658 0.658 -1.211 1.00 0.00 C ATOM 1210 CD1 ILE A 93 11.789 -0.752 -3.703 1.00 0.00 C ATOM 0 H ILE A 93 8.332 1.022 -0.964 1.00 0.00 H new ATOM 0 HA ILE A 93 10.656 -0.155 0.325 1.00 0.00 H new ATOM 0 HB ILE A 93 10.961 1.456 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.115 -1.552 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.883 -0.693 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.286 0.648 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.833 1.578 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.905 -0.198 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.551 -1.665 -4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.591 0.112 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.842 -0.761 -3.422 1.00 0.00 H new ATOM 1222 N VAL A 94 11.053 2.029 1.395 1.00 0.00 N ATOM 1223 CA VAL A 94 11.245 3.253 2.157 1.00 0.00 C ATOM 1224 C VAL A 94 12.731 3.444 2.456 1.00 0.00 C ATOM 1225 O VAL A 94 13.278 2.818 3.364 1.00 0.00 O ATOM 1226 CB VAL A 94 10.438 3.214 3.480 1.00 0.00 C ATOM 1227 CG1 VAL A 94 10.429 1.809 4.062 1.00 0.00 C ATOM 1228 CG2 VAL A 94 10.991 4.199 4.498 1.00 0.00 C ATOM 0 H VAL A 94 11.507 1.215 1.809 1.00 0.00 H new ATOM 0 HA VAL A 94 10.883 4.092 1.563 1.00 0.00 H new ATOM 0 HB VAL A 94 9.414 3.507 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.857 1.803 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.971 1.123 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.452 1.492 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.402 4.145 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.029 3.949 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.939 5.209 4.092 1.00 0.00 H new