USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 59 LYS NZ :NH3+ -170:sc= -2.15 (180deg=-2.38) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.207 X(o=-2.4,f=-2.5) USER MOD Single : A 12 LYS NZ :NH3+ 150:sc= -1.69 (180deg=-3.15!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 27:sc= 1.03 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.268) USER MOD Single : A 31 ASN : amide:sc= -4.68! K(o=-4.7!,f=-0.32) USER MOD Single : A 36 THR OG1 : rot 14:sc= 1.12 USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -4.17! (180deg=-6.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -9.38! C(o=-9.4!,f=-7.3!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 57 THR OG1 : rot -74:sc= 1.21 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -0.27 (180deg=-1.14) USER MOD Single : A 68 SER OG : rot 96:sc= -0.313 USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.164 (180deg=-0.797) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= -0.0532 (180deg=-0.25) USER MOD Single : A 79 SER OG : rot -60:sc= -3.76 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00101 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -112:sc= -0.618 (180deg=-1.21) USER MOD Single : A 86 LYS NZ :NH3+ -130:sc= -5.76! (180deg=-10.2!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 5 -11.779 1.847 -5.278 1.00 1.58 N ATOM 47 CA GLU A 5 -10.758 1.724 -4.191 1.00 1.64 C ATOM 48 C GLU A 5 -10.697 0.277 -3.694 1.00 1.26 C ATOM 49 O GLU A 5 -11.681 -0.425 -3.757 1.00 1.71 O ATOM 50 CB GLU A 5 -11.147 2.641 -3.030 1.00 2.56 C ATOM 51 CG GLU A 5 -11.201 4.088 -3.517 1.00 3.25 C ATOM 52 CD GLU A 5 -11.513 5.013 -2.338 1.00 4.18 C ATOM 53 OE1 GLU A 5 -11.833 4.501 -1.278 1.00 4.72 O ATOM 54 OE2 GLU A 5 -11.428 6.216 -2.516 1.00 4.68 O ATOM 0 HA GLU A 5 -9.781 2.011 -4.580 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -12.116 2.345 -2.629 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -10.424 2.546 -2.220 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -10.249 4.366 -3.969 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -11.964 4.195 -4.288 1.00 3.25 H new ATOM 61 N VAL A 6 -9.556 -0.159 -3.182 1.00 1.37 N ATOM 62 CA VAL A 6 -9.405 -1.554 -2.623 1.00 1.13 C ATOM 63 C VAL A 6 -8.834 -2.516 -3.678 1.00 0.99 C ATOM 64 O VAL A 6 -9.358 -2.637 -4.767 1.00 1.03 O ATOM 65 CB VAL A 6 -10.720 -2.109 -2.040 1.00 1.36 C ATOM 66 CG1 VAL A 6 -10.390 -3.289 -1.126 1.00 2.38 C ATOM 67 CG2 VAL A 6 -11.426 -1.041 -1.192 1.00 1.54 C ATOM 0 H VAL A 6 -8.708 0.406 -3.128 1.00 1.37 H new ATOM 0 HA VAL A 6 -8.697 -1.479 -1.798 1.00 1.13 H new ATOM 0 HB VAL A 6 -11.369 -2.411 -2.862 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -11.311 -3.692 -0.706 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -9.884 -4.064 -1.701 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -9.740 -2.953 -0.318 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -12.352 -1.450 -0.789 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -10.775 -0.739 -0.372 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -11.653 -0.174 -1.813 1.00 1.54 H new ATOM 77 N GLY A 7 -7.772 -3.223 -3.350 1.00 0.95 N ATOM 78 CA GLY A 7 -7.180 -4.199 -4.317 1.00 0.96 C ATOM 79 C GLY A 7 -6.246 -3.499 -5.296 1.00 0.91 C ATOM 80 O GLY A 7 -6.096 -3.910 -6.419 1.00 1.47 O ATOM 0 H GLY A 7 -7.292 -3.163 -2.452 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -6.632 -4.969 -3.773 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -7.977 -4.702 -4.865 1.00 0.96 H new ATOM 84 N ARG A 8 -5.658 -2.419 -4.900 1.00 0.62 N ATOM 85 CA ARG A 8 -4.801 -1.650 -5.836 1.00 0.60 C ATOM 86 C ARG A 8 -3.675 -0.957 -5.052 1.00 0.52 C ATOM 87 O ARG A 8 -3.558 -1.136 -3.855 1.00 0.57 O ATOM 88 CB ARG A 8 -5.657 -0.642 -6.578 1.00 0.67 C ATOM 89 CG ARG A 8 -6.248 0.372 -5.631 1.00 1.19 C ATOM 90 CD ARG A 8 -7.289 1.155 -6.412 1.00 1.16 C ATOM 91 NE ARG A 8 -6.678 1.693 -7.661 1.00 1.98 N ATOM 92 CZ ARG A 8 -7.418 1.891 -8.721 1.00 2.55 C ATOM 93 NH1 ARG A 8 -8.703 1.669 -8.679 1.00 2.63 N ATOM 94 NH2 ARG A 8 -6.870 2.321 -9.825 1.00 3.56 N ATOM 0 H ARG A 8 -5.732 -2.028 -3.961 1.00 0.62 H new ATOM 0 HA ARG A 8 -4.343 -2.318 -6.565 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -5.055 -0.133 -7.331 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -6.457 -1.160 -7.107 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -6.701 -0.122 -4.771 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -5.475 1.036 -5.246 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -8.134 0.512 -6.657 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -7.676 1.972 -5.803 1.00 1.16 H new ATOM 0 HE ARG A 8 -5.681 1.907 -7.689 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -9.136 1.339 -7.816 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -9.275 1.825 -9.509 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -5.867 2.502 -9.860 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -7.445 2.476 -10.653 1.00 3.56 H new ATOM 108 N ILE A 9 -2.832 -0.191 -5.711 1.00 0.50 N ATOM 109 CA ILE A 9 -1.697 0.482 -4.986 1.00 0.51 C ATOM 110 C ILE A 9 -1.959 1.936 -4.652 1.00 0.41 C ATOM 111 O ILE A 9 -2.540 2.719 -5.399 1.00 0.39 O ATOM 112 CB ILE A 9 -0.379 0.389 -5.761 1.00 0.64 C ATOM 113 CG1 ILE A 9 0.047 -1.073 -5.875 1.00 1.05 C ATOM 114 CG2 ILE A 9 0.704 1.203 -5.029 1.00 0.92 C ATOM 115 CD1 ILE A 9 1.245 -1.190 -6.828 1.00 1.43 C ATOM 0 H ILE A 9 -2.879 -0.003 -6.712 1.00 0.50 H new ATOM 0 HA ILE A 9 -1.616 -0.070 -4.050 1.00 0.51 H new ATOM 0 HB ILE A 9 -0.514 0.796 -6.763 1.00 0.64 H new ATOM 0 HG12 ILE A 9 0.313 -1.462 -4.892 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -0.783 -1.676 -6.243 1.00 1.05 H new ATOM 0 HG21 ILE A 9 1.643 1.138 -5.579 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.393 2.246 -4.964 1.00 0.92 H new ATOM 0 HG23 ILE A 9 0.844 0.803 -4.025 1.00 0.92 H new ATOM 0 HD11 ILE A 9 1.546 -2.235 -6.907 1.00 1.43 H new ATOM 0 HD12 ILE A 9 0.964 -0.818 -7.813 1.00 1.43 H new ATOM 0 HD13 ILE A 9 2.076 -0.601 -6.441 1.00 1.43 H new ATOM 127 N CYS A 10 -1.501 2.258 -3.474 1.00 0.40 N ATOM 128 CA CYS A 10 -1.633 3.618 -2.913 1.00 0.35 C ATOM 129 C CYS A 10 -0.235 4.172 -2.603 1.00 0.35 C ATOM 130 O CYS A 10 0.703 3.431 -2.387 1.00 0.40 O ATOM 131 CB CYS A 10 -2.448 3.531 -1.614 1.00 0.36 C ATOM 132 SG CYS A 10 -2.017 2.015 -0.706 1.00 1.19 S ATOM 0 H CYS A 10 -1.022 1.601 -2.858 1.00 0.40 H new ATOM 0 HA CYS A 10 -2.133 4.275 -3.625 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.251 4.405 -0.993 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -3.514 3.536 -1.843 1.00 0.36 H new ATOM 137 N VAL A 11 -0.109 5.471 -2.560 1.00 0.34 N ATOM 138 CA VAL A 11 1.215 6.114 -2.242 1.00 0.41 C ATOM 139 C VAL A 11 1.028 7.057 -1.055 1.00 0.41 C ATOM 140 O VAL A 11 0.048 7.759 -0.998 1.00 0.39 O ATOM 141 CB VAL A 11 1.698 6.905 -3.459 1.00 0.53 C ATOM 142 CG1 VAL A 11 3.091 7.473 -3.181 1.00 0.79 C ATOM 143 CG2 VAL A 11 1.760 5.977 -4.675 1.00 0.95 C ATOM 0 H VAL A 11 -0.871 6.127 -2.732 1.00 0.34 H new ATOM 0 HA VAL A 11 1.954 5.352 -1.995 1.00 0.41 H new ATOM 0 HB VAL A 11 1.006 7.724 -3.658 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.434 8.036 -4.049 1.00 0.79 H new ATOM 0 HG12 VAL A 11 3.049 8.132 -2.314 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.784 6.656 -2.982 1.00 0.79 H new ATOM 0 HG21 VAL A 11 2.104 6.538 -5.544 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.452 5.159 -4.474 1.00 0.95 H new ATOM 0 HG23 VAL A 11 0.768 5.572 -4.874 1.00 0.95 H new ATOM 153 N LYS A 12 1.892 7.094 -0.074 1.00 0.50 N ATOM 154 CA LYS A 12 1.611 8.009 1.066 1.00 0.58 C ATOM 155 C LYS A 12 2.240 9.375 0.832 1.00 0.66 C ATOM 156 O LYS A 12 3.434 9.471 0.626 1.00 0.86 O ATOM 157 CB LYS A 12 2.304 7.409 2.295 1.00 0.77 C ATOM 158 CG LYS A 12 1.683 6.048 2.608 1.00 1.44 C ATOM 159 CD LYS A 12 2.274 5.489 3.909 1.00 1.81 C ATOM 160 CE LYS A 12 1.762 4.061 4.155 1.00 2.64 C ATOM 161 NZ LYS A 12 1.677 3.314 2.868 1.00 3.12 N ATOM 0 H LYS A 12 2.752 6.549 -0.013 1.00 0.50 H new ATOM 0 HA LYS A 12 0.533 8.120 1.187 1.00 0.58 H new ATOM 0 HB2 LYS A 12 3.372 7.300 2.108 1.00 0.77 H new ATOM 0 HB3 LYS A 12 2.196 8.076 3.150 1.00 0.77 H new ATOM 0 HG2 LYS A 12 0.601 6.145 2.702 1.00 1.44 H new ATOM 0 HG3 LYS A 12 1.870 5.356 1.787 1.00 1.44 H new ATOM 0 HD2 LYS A 12 3.362 5.488 3.851 1.00 1.81 H new ATOM 0 HD3 LYS A 12 2.000 6.131 4.746 1.00 1.81 H new ATOM 0 HE2 LYS A 12 2.430 3.541 4.842 1.00 2.64 H new ATOM 0 HE3 LYS A 12 0.781 4.095 4.629 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 1.835 2.301 3.043 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 0.735 3.450 2.449 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 2.402 3.669 2.212 1.00 3.12 H new ATOM 175 N VAL A 13 1.466 10.443 0.899 1.00 0.63 N ATOM 176 CA VAL A 13 2.084 11.785 0.713 1.00 0.80 C ATOM 177 C VAL A 13 1.944 12.596 2.000 1.00 0.93 C ATOM 178 O VAL A 13 0.861 12.840 2.496 1.00 0.88 O ATOM 179 CB VAL A 13 1.356 12.519 -0.408 1.00 0.82 C ATOM 180 CG1 VAL A 13 2.032 13.867 -0.667 1.00 1.69 C ATOM 181 CG2 VAL A 13 1.383 11.685 -1.693 1.00 1.27 C ATOM 0 H VAL A 13 0.460 10.436 1.070 1.00 0.63 H new ATOM 0 HA VAL A 13 3.139 11.666 0.464 1.00 0.80 H new ATOM 0 HB VAL A 13 0.321 12.679 -0.107 1.00 0.82 H new ATOM 0 HG11 VAL A 13 1.509 14.388 -1.469 1.00 1.69 H new ATOM 0 HG12 VAL A 13 2.000 14.471 0.240 1.00 1.69 H new ATOM 0 HG13 VAL A 13 3.070 13.704 -0.957 1.00 1.69 H new ATOM 0 HG21 VAL A 13 0.860 12.220 -2.485 1.00 1.27 H new ATOM 0 HG22 VAL A 13 2.417 11.512 -1.993 1.00 1.27 H new ATOM 0 HG23 VAL A 13 0.892 10.728 -1.516 1.00 1.27 H new ATOM 191 N LYS A 14 3.049 13.051 2.496 1.00 1.19 N ATOM 192 CA LYS A 14 3.078 13.906 3.713 1.00 1.42 C ATOM 193 C LYS A 14 4.234 14.888 3.557 1.00 1.67 C ATOM 194 O LYS A 14 5.194 14.585 2.877 1.00 1.73 O ATOM 195 CB LYS A 14 3.272 13.054 4.977 1.00 1.43 C ATOM 196 CG LYS A 14 2.094 12.090 5.133 1.00 1.52 C ATOM 197 CD LYS A 14 2.229 11.327 6.453 1.00 1.56 C ATOM 198 CE LYS A 14 1.122 10.275 6.554 1.00 2.28 C ATOM 199 NZ LYS A 14 0.275 10.557 7.748 1.00 2.43 N ATOM 0 H LYS A 14 3.968 12.861 2.097 1.00 1.19 H new ATOM 0 HA LYS A 14 2.132 14.437 3.820 1.00 1.42 H new ATOM 0 HB2 LYS A 14 4.206 12.495 4.911 1.00 1.43 H new ATOM 0 HB3 LYS A 14 3.347 13.698 5.854 1.00 1.43 H new ATOM 0 HG2 LYS A 14 1.154 12.642 5.114 1.00 1.52 H new ATOM 0 HG3 LYS A 14 2.070 11.391 4.297 1.00 1.52 H new ATOM 0 HD2 LYS A 14 3.206 10.848 6.509 1.00 1.56 H new ATOM 0 HD3 LYS A 14 2.165 12.019 7.293 1.00 1.56 H new ATOM 0 HE2 LYS A 14 0.512 10.286 5.651 1.00 2.28 H new ATOM 0 HE3 LYS A 14 1.558 9.279 6.631 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 -0.477 9.842 7.817 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 0.862 10.525 8.606 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 -0.152 11.501 7.656 1.00 2.43 H new ATOM 213 N GLY A 15 4.226 16.016 4.203 1.00 1.91 N ATOM 214 CA GLY A 15 5.423 16.891 4.071 1.00 2.20 C ATOM 215 C GLY A 15 6.382 16.364 5.133 1.00 2.22 C ATOM 216 O GLY A 15 6.006 15.459 5.840 1.00 2.26 O ATOM 0 H GLY A 15 3.473 16.364 4.797 1.00 1.91 H new ATOM 0 HA2 GLY A 15 5.857 16.826 3.073 1.00 2.20 H new ATOM 0 HA3 GLY A 15 5.173 17.938 4.243 1.00 2.20 H new ATOM 220 N ARG A 16 7.590 16.881 5.247 1.00 2.31 N ATOM 221 CA ARG A 16 8.560 16.337 6.269 1.00 2.37 C ATOM 222 C ARG A 16 8.232 14.858 6.547 1.00 2.28 C ATOM 223 O ARG A 16 7.409 14.557 7.383 1.00 2.27 O ATOM 224 CB ARG A 16 8.434 17.153 7.556 1.00 2.49 C ATOM 225 CG ARG A 16 8.881 18.592 7.283 1.00 2.87 C ATOM 226 CD ARG A 16 8.868 19.396 8.584 1.00 3.02 C ATOM 227 NE ARG A 16 7.501 19.345 9.181 1.00 3.63 N ATOM 228 CZ ARG A 16 7.043 20.353 9.881 1.00 4.15 C ATOM 229 NH1 ARG A 16 7.793 21.400 10.104 1.00 4.18 N ATOM 230 NH2 ARG A 16 5.834 20.306 10.367 1.00 4.93 N ATOM 0 H ARG A 16 7.946 17.651 4.681 1.00 2.31 H new ATOM 0 HA ARG A 16 9.581 16.409 5.893 1.00 2.37 H new ATOM 0 HB2 ARG A 16 7.403 17.140 7.910 1.00 2.49 H new ATOM 0 HB3 ARG A 16 9.046 16.712 8.342 1.00 2.49 H new ATOM 0 HG2 ARG A 16 9.883 18.596 6.853 1.00 2.87 H new ATOM 0 HG3 ARG A 16 8.218 19.056 6.552 1.00 2.87 H new ATOM 0 HD2 ARG A 16 9.598 18.990 9.284 1.00 3.02 H new ATOM 0 HD3 ARG A 16 9.154 20.430 8.389 1.00 3.02 H new ATOM 0 HE ARG A 16 6.919 18.519 9.043 1.00 3.63 H new ATOM 0 HH11 ARG A 16 8.742 21.436 9.732 1.00 4.18 H new ATOM 0 HH12 ARG A 16 7.429 22.181 10.650 1.00 4.18 H new ATOM 0 HH21 ARG A 16 5.249 19.487 10.201 1.00 4.93 H new ATOM 0 HH22 ARG A 16 5.473 21.088 10.913 1.00 4.93 H new ATOM 244 N GLU A 17 8.855 13.956 5.811 1.00 2.28 N ATOM 245 CA GLU A 17 8.591 12.479 5.924 1.00 2.23 C ATOM 246 C GLU A 17 7.523 12.144 4.880 1.00 1.93 C ATOM 247 O GLU A 17 6.524 12.828 4.780 1.00 2.50 O ATOM 248 CB GLU A 17 8.081 12.060 7.312 1.00 2.57 C ATOM 249 CG GLU A 17 8.121 10.530 7.423 1.00 2.68 C ATOM 250 CD GLU A 17 9.575 10.055 7.475 1.00 2.78 C ATOM 251 OE1 GLU A 17 10.420 10.840 7.874 1.00 3.13 O ATOM 252 OE2 GLU A 17 9.819 8.915 7.113 1.00 3.04 O ATOM 0 H GLU A 17 9.560 14.195 5.113 1.00 2.28 H new ATOM 0 HA GLU A 17 9.526 11.942 5.764 1.00 2.23 H new ATOM 0 HB2 GLU A 17 8.698 12.509 8.090 1.00 2.57 H new ATOM 0 HB3 GLU A 17 7.064 12.421 7.463 1.00 2.57 H new ATOM 0 HG2 GLU A 17 7.590 10.207 8.318 1.00 2.68 H new ATOM 0 HG3 GLU A 17 7.612 10.080 6.571 1.00 2.68 H new ATOM 259 N ALA A 18 7.732 11.104 4.110 1.00 1.46 N ATOM 260 CA ALA A 18 6.741 10.719 3.063 1.00 1.34 C ATOM 261 C ALA A 18 7.413 9.904 1.968 1.00 1.18 C ATOM 262 O ALA A 18 8.022 10.450 1.070 1.00 1.77 O ATOM 263 CB ALA A 18 6.152 11.965 2.404 1.00 1.78 C ATOM 0 H ALA A 18 8.554 10.502 4.164 1.00 1.46 H new ATOM 0 HA ALA A 18 5.960 10.136 3.550 1.00 1.34 H new ATOM 0 HB1 ALA A 18 5.431 11.668 1.643 1.00 1.78 H new ATOM 0 HB2 ALA A 18 5.653 12.574 3.158 1.00 1.78 H new ATOM 0 HB3 ALA A 18 6.951 12.544 1.941 1.00 1.78 H new ATOM 269 N GLY A 19 7.202 8.628 1.948 1.00 1.06 N ATOM 270 CA GLY A 19 7.718 7.841 0.804 1.00 1.02 C ATOM 271 C GLY A 19 7.439 6.360 1.003 1.00 0.78 C ATOM 272 O GLY A 19 8.339 5.592 1.264 1.00 0.90 O ATOM 0 H GLY A 19 6.702 8.099 2.662 1.00 1.06 H new ATOM 0 HA2 GLY A 19 7.251 8.183 -0.120 1.00 1.02 H new ATOM 0 HA3 GLY A 19 8.791 8.003 0.698 1.00 1.02 H new ATOM 276 N SER A 20 6.234 5.916 0.797 1.00 0.62 N ATOM 277 CA SER A 20 6.002 4.456 0.904 1.00 0.54 C ATOM 278 C SER A 20 4.782 4.063 0.083 1.00 0.48 C ATOM 279 O SER A 20 3.752 4.705 0.160 1.00 0.53 O ATOM 280 CB SER A 20 5.806 4.084 2.372 1.00 0.71 C ATOM 281 OG SER A 20 7.075 3.863 2.972 1.00 1.36 O ATOM 0 H SER A 20 5.420 6.485 0.565 1.00 0.62 H new ATOM 0 HA SER A 20 6.865 3.917 0.514 1.00 0.54 H new ATOM 0 HB2 SER A 20 5.278 4.882 2.894 1.00 0.71 H new ATOM 0 HB3 SER A 20 5.191 3.188 2.453 1.00 0.71 H new ATOM 0 HG SER A 20 7.755 4.390 2.503 1.00 1.36 H new ATOM 287 N LYS A 21 4.860 2.995 -0.664 1.00 0.45 N ATOM 288 CA LYS A 21 3.676 2.548 -1.440 1.00 0.44 C ATOM 289 C LYS A 21 2.984 1.441 -0.664 1.00 0.39 C ATOM 290 O LYS A 21 3.616 0.660 0.017 1.00 0.39 O ATOM 291 CB LYS A 21 4.084 2.033 -2.814 1.00 0.51 C ATOM 292 CG LYS A 21 4.667 3.172 -3.647 1.00 1.45 C ATOM 293 CD LYS A 21 4.969 2.667 -5.061 1.00 1.74 C ATOM 294 CE LYS A 21 5.657 3.772 -5.864 1.00 2.27 C ATOM 295 NZ LYS A 21 4.663 4.825 -6.212 1.00 3.16 N ATOM 0 H LYS A 21 5.693 2.416 -0.768 1.00 0.45 H new ATOM 0 HA LYS A 21 3.003 3.393 -1.585 1.00 0.44 H new ATOM 0 HB2 LYS A 21 4.819 1.235 -2.709 1.00 0.51 H new ATOM 0 HB3 LYS A 21 3.220 1.605 -3.322 1.00 0.51 H new ATOM 0 HG2 LYS A 21 3.963 4.003 -3.689 1.00 1.45 H new ATOM 0 HG3 LYS A 21 5.578 3.548 -3.181 1.00 1.45 H new ATOM 0 HD2 LYS A 21 5.608 1.785 -5.014 1.00 1.74 H new ATOM 0 HD3 LYS A 21 4.046 2.365 -5.555 1.00 1.74 H new ATOM 0 HE2 LYS A 21 6.472 4.204 -5.284 1.00 2.27 H new ATOM 0 HE3 LYS A 21 6.096 3.357 -6.771 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 5.071 5.467 -6.921 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 3.807 4.380 -6.600 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 4.416 5.365 -5.358 1.00 3.16 H new ATOM 309 N CYS A 22 1.695 1.383 -0.749 1.00 0.39 N ATOM 310 CA CYS A 22 0.938 0.347 -0.007 1.00 0.38 C ATOM 311 C CYS A 22 -0.112 -0.293 -0.908 1.00 0.36 C ATOM 312 O CYS A 22 -0.502 0.261 -1.916 1.00 0.39 O ATOM 313 CB CYS A 22 0.214 1.014 1.154 1.00 0.46 C ATOM 314 SG CYS A 22 -0.560 2.566 0.593 1.00 0.78 S ATOM 0 H CYS A 22 1.123 2.016 -1.308 1.00 0.39 H new ATOM 0 HA CYS A 22 1.633 -0.416 0.343 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.546 0.343 1.554 1.00 0.46 H new ATOM 0 HB3 CYS A 22 0.916 1.219 1.962 1.00 0.46 H new ATOM 319 N VAL A 23 -0.603 -1.431 -0.517 1.00 0.34 N ATOM 320 CA VAL A 23 -1.692 -2.096 -1.283 1.00 0.35 C ATOM 321 C VAL A 23 -2.910 -2.082 -0.352 1.00 0.37 C ATOM 322 O VAL A 23 -2.777 -2.330 0.830 1.00 0.39 O ATOM 323 CB VAL A 23 -1.299 -3.538 -1.618 1.00 0.39 C ATOM 324 CG1 VAL A 23 -2.379 -4.178 -2.492 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.034 -3.540 -2.369 1.00 0.41 C ATOM 0 H VAL A 23 -0.293 -1.937 0.312 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.894 -1.589 -2.226 1.00 0.35 H new ATOM 0 HB VAL A 23 -1.199 -4.109 -0.695 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -2.096 -5.204 -2.728 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -3.328 -4.178 -1.956 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -2.484 -3.609 -3.416 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.315 -4.566 -2.608 1.00 0.41 H new ATOM 0 HG22 VAL A 23 -0.067 -2.967 -3.291 1.00 0.41 H new ATOM 0 HG23 VAL A 23 0.805 -3.089 -1.744 1.00 0.41 H new ATOM 335 N ILE A 24 -4.077 -1.744 -0.836 1.00 0.37 N ATOM 336 CA ILE A 24 -5.254 -1.664 0.092 1.00 0.41 C ATOM 337 C ILE A 24 -6.074 -2.962 0.029 1.00 0.41 C ATOM 338 O ILE A 24 -6.422 -3.428 -1.039 1.00 0.41 O ATOM 339 CB ILE A 24 -6.139 -0.493 -0.353 1.00 0.44 C ATOM 340 CG1 ILE A 24 -5.310 0.796 -0.405 1.00 0.45 C ATOM 341 CG2 ILE A 24 -7.276 -0.303 0.653 1.00 0.48 C ATOM 342 CD1 ILE A 24 -6.170 1.930 -0.964 1.00 0.51 C ATOM 0 H ILE A 24 -4.269 -1.523 -1.813 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.903 -1.519 1.114 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.544 -0.711 -1.341 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.954 1.053 0.593 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -4.429 0.650 -1.031 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.906 0.529 0.338 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.874 -1.213 0.702 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.859 -0.090 1.637 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.583 2.847 -1.002 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.505 1.672 -1.969 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -7.037 2.080 -0.320 1.00 0.51 H new ATOM 354 N VAL A 25 -6.428 -3.534 1.174 1.00 0.44 N ATOM 355 CA VAL A 25 -7.273 -4.775 1.137 1.00 0.45 C ATOM 356 C VAL A 25 -8.281 -4.802 2.301 1.00 0.65 C ATOM 357 O VAL A 25 -8.234 -5.680 3.131 1.00 1.30 O ATOM 358 CB VAL A 25 -6.298 -5.957 1.358 1.00 0.65 C ATOM 359 CG1 VAL A 25 -6.739 -7.189 0.580 1.00 1.10 C ATOM 360 CG2 VAL A 25 -4.887 -5.567 0.918 1.00 0.68 C ATOM 0 H VAL A 25 -6.173 -3.200 2.104 1.00 0.44 H new ATOM 0 HA VAL A 25 -7.821 -4.821 0.196 1.00 0.45 H new ATOM 0 HB VAL A 25 -6.302 -6.194 2.422 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -6.034 -8.002 0.756 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -7.732 -7.492 0.911 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -6.767 -6.956 -0.485 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -4.211 -6.407 1.078 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.895 -5.305 -0.140 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -4.548 -4.711 1.501 1.00 0.68 H new ATOM 370 N ASP A 26 -9.283 -3.954 2.284 1.00 0.41 N ATOM 371 CA ASP A 26 -10.376 -4.038 3.312 1.00 0.53 C ATOM 372 C ASP A 26 -11.200 -2.761 3.285 1.00 0.43 C ATOM 373 O ASP A 26 -10.624 -1.683 3.198 1.00 0.45 O ATOM 374 CB ASP A 26 -9.858 -4.136 4.738 1.00 0.76 C ATOM 375 CG ASP A 26 -11.030 -4.439 5.674 1.00 0.99 C ATOM 376 OD1 ASP A 26 -11.369 -5.602 5.808 1.00 1.56 O ATOM 377 OD2 ASP A 26 -11.567 -3.503 6.240 1.00 1.48 O ATOM 0 H ASP A 26 -9.393 -3.204 1.601 1.00 0.41 H new ATOM 0 HA ASP A 26 -10.943 -4.934 3.058 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -9.105 -4.920 4.812 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -9.376 -3.203 5.028 1.00 0.76 H new ATOM 382 N ILE A 27 -12.472 -2.833 3.574 1.00 0.57 N ATOM 383 CA ILE A 27 -13.236 -1.569 3.773 1.00 0.65 C ATOM 384 C ILE A 27 -13.687 -1.641 5.231 1.00 0.63 C ATOM 385 O ILE A 27 -14.429 -2.529 5.603 1.00 0.79 O ATOM 386 CB ILE A 27 -14.451 -1.527 2.842 1.00 0.94 C ATOM 387 CG1 ILE A 27 -13.986 -1.667 1.391 1.00 1.59 C ATOM 388 CG2 ILE A 27 -15.180 -0.192 3.014 1.00 1.36 C ATOM 389 CD1 ILE A 27 -15.203 -1.751 0.468 1.00 1.80 C ATOM 0 H ILE A 27 -13.006 -3.695 3.679 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.645 -0.679 3.555 1.00 0.65 H new ATOM 0 HB ILE A 27 -15.126 -2.346 3.090 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -13.365 -0.815 1.114 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -13.371 -2.560 1.280 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -16.045 -0.162 2.351 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -15.511 -0.089 4.047 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -14.504 0.626 2.766 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -14.870 -1.851 -0.565 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -15.807 -2.617 0.740 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -15.801 -0.845 0.571 1.00 1.80 H new ATOM 401 N ILE A 28 -13.227 -0.755 6.075 1.00 0.57 N ATOM 402 CA ILE A 28 -13.620 -0.840 7.513 1.00 0.58 C ATOM 403 C ILE A 28 -14.782 0.092 7.817 1.00 0.66 C ATOM 404 O ILE A 28 -15.929 -0.301 7.900 1.00 0.71 O ATOM 405 CB ILE A 28 -12.400 -0.421 8.340 1.00 0.57 C ATOM 406 CG1 ILE A 28 -11.244 -1.361 8.011 1.00 0.68 C ATOM 407 CG2 ILE A 28 -12.703 -0.471 9.840 1.00 0.61 C ATOM 408 CD1 ILE A 28 -9.985 -0.909 8.744 1.00 0.77 C ATOM 0 H ILE A 28 -12.603 0.016 5.835 1.00 0.57 H new ATOM 0 HA ILE A 28 -13.937 -1.855 7.753 1.00 0.58 H new ATOM 0 HB ILE A 28 -12.136 0.607 8.090 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -11.498 -2.380 8.301 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -11.066 -1.371 6.936 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -11.818 -0.168 10.400 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -13.526 0.206 10.068 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -12.981 -1.487 10.121 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -9.163 -1.584 8.505 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -9.726 0.103 8.432 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -10.165 -0.923 9.819 1.00 0.77 H new ATOM 420 N ASP A 29 -14.449 1.330 8.006 1.00 1.01 N ATOM 421 CA ASP A 29 -15.442 2.369 8.335 1.00 1.18 C ATOM 422 C ASP A 29 -15.612 3.285 7.139 1.00 1.33 C ATOM 423 O ASP A 29 -14.905 3.194 6.155 1.00 2.10 O ATOM 424 CB ASP A 29 -14.981 3.166 9.548 1.00 1.03 C ATOM 425 CG ASP A 29 -14.964 2.260 10.781 1.00 1.72 C ATOM 426 OD1 ASP A 29 -15.522 1.178 10.704 1.00 2.26 O ATOM 427 OD2 ASP A 29 -14.392 2.664 11.780 1.00 2.40 O ATOM 0 H ASP A 29 -13.491 1.674 7.943 1.00 1.01 H new ATOM 0 HA ASP A 29 -16.397 1.901 8.573 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -13.986 3.575 9.371 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -15.648 4.012 9.715 1.00 1.03 H new ATOM 432 N ASP A 30 -16.563 4.144 7.213 1.00 1.29 N ATOM 433 CA ASP A 30 -16.793 5.039 6.065 1.00 1.39 C ATOM 434 C ASP A 30 -15.494 5.796 5.735 1.00 1.13 C ATOM 435 O ASP A 30 -15.169 5.962 4.576 1.00 1.20 O ATOM 436 CB ASP A 30 -17.888 6.041 6.418 1.00 1.64 C ATOM 437 CG ASP A 30 -19.223 5.310 6.572 1.00 1.90 C ATOM 438 OD1 ASP A 30 -19.292 4.156 6.182 1.00 2.09 O ATOM 439 OD2 ASP A 30 -20.153 5.915 7.079 1.00 2.55 O ATOM 0 H ASP A 30 -17.189 4.269 8.008 1.00 1.29 H new ATOM 0 HA ASP A 30 -17.100 4.451 5.200 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -17.636 6.559 7.344 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -17.965 6.800 5.639 1.00 1.64 H new ATOM 444 N ASN A 31 -14.734 6.248 6.720 1.00 0.91 N ATOM 445 CA ASN A 31 -13.465 6.971 6.392 1.00 0.77 C ATOM 446 C ASN A 31 -12.195 6.114 6.573 1.00 0.58 C ATOM 447 O ASN A 31 -11.121 6.614 6.326 1.00 0.53 O ATOM 448 CB ASN A 31 -13.357 8.195 7.302 1.00 0.86 C ATOM 449 CG ASN A 31 -14.529 9.141 7.029 1.00 1.29 C ATOM 450 OD1 ASN A 31 -14.630 10.190 7.632 1.00 2.10 O ATOM 451 ND2 ASN A 31 -15.424 8.810 6.138 1.00 1.60 N ATOM 0 H ASN A 31 -14.938 6.147 7.714 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.517 7.240 5.337 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -13.362 7.886 8.347 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -12.412 8.710 7.126 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -16.209 9.433 5.948 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -15.338 7.929 5.632 1.00 1.60 H new ATOM 458 N PHE A 32 -12.273 4.863 7.002 1.00 0.56 N ATOM 459 CA PHE A 32 -11.005 4.059 7.190 1.00 0.45 C ATOM 460 C PHE A 32 -10.926 2.803 6.317 1.00 0.45 C ATOM 461 O PHE A 32 -11.887 2.086 6.122 1.00 0.52 O ATOM 462 CB PHE A 32 -10.862 3.663 8.666 1.00 0.48 C ATOM 463 CG PHE A 32 -10.635 4.900 9.517 1.00 0.54 C ATOM 464 CD1 PHE A 32 -9.325 5.346 9.732 1.00 1.52 C ATOM 465 CD2 PHE A 32 -11.706 5.587 10.104 1.00 1.09 C ATOM 466 CE1 PHE A 32 -9.086 6.473 10.526 1.00 1.60 C ATOM 467 CE2 PHE A 32 -11.467 6.716 10.898 1.00 1.13 C ATOM 468 CZ PHE A 32 -10.157 7.159 11.108 1.00 0.80 C ATOM 0 H PHE A 32 -13.139 4.373 7.226 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.186 4.705 6.874 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -11.759 3.142 9.000 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -10.028 2.971 8.786 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -8.496 4.818 9.283 1.00 1.52 H new ATOM 0 HD2 PHE A 32 -12.718 5.245 9.944 1.00 1.09 H new ATOM 0 HE1 PHE A 32 -8.074 6.813 10.690 1.00 1.60 H new ATOM 0 HE2 PHE A 32 -12.294 7.244 11.348 1.00 1.13 H new ATOM 0 HZ PHE A 32 -9.973 8.030 11.719 1.00 0.80 H new ATOM 478 N VAL A 33 -9.742 2.539 5.821 1.00 0.40 N ATOM 479 CA VAL A 33 -9.489 1.333 4.977 1.00 0.42 C ATOM 480 C VAL A 33 -8.262 0.590 5.544 1.00 0.39 C ATOM 481 O VAL A 33 -7.471 1.170 6.261 1.00 0.36 O ATOM 482 CB VAL A 33 -9.244 1.751 3.524 1.00 0.44 C ATOM 483 CG1 VAL A 33 -10.447 2.545 3.014 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.997 2.624 3.444 1.00 0.42 C ATOM 0 H VAL A 33 -8.921 3.125 5.971 1.00 0.40 H new ATOM 0 HA VAL A 33 -10.356 0.673 4.995 1.00 0.42 H new ATOM 0 HB VAL A 33 -9.104 0.860 2.912 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -10.274 2.843 1.980 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.342 1.925 3.068 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.584 3.434 3.630 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.826 2.920 2.409 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -8.136 3.514 4.057 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -7.136 2.063 3.808 1.00 0.42 H new ATOM 494 N LEU A 34 -8.081 -0.671 5.211 1.00 0.43 N ATOM 495 CA LEU A 34 -6.866 -1.407 5.737 1.00 0.44 C ATOM 496 C LEU A 34 -5.809 -1.425 4.641 1.00 0.43 C ATOM 497 O LEU A 34 -6.121 -1.672 3.494 1.00 0.47 O ATOM 498 CB LEU A 34 -7.187 -2.849 6.148 1.00 0.55 C ATOM 499 CG LEU A 34 -6.013 -3.450 6.946 1.00 0.62 C ATOM 500 CD1 LEU A 34 -6.534 -4.560 7.866 1.00 0.93 C ATOM 501 CD2 LEU A 34 -4.953 -4.044 5.999 1.00 0.73 C ATOM 0 H LEU A 34 -8.702 -1.216 4.613 1.00 0.43 H new ATOM 0 HA LEU A 34 -6.512 -0.887 6.627 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -8.094 -2.869 6.752 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -7.380 -3.453 5.261 1.00 0.55 H new ATOM 0 HG LEU A 34 -5.556 -2.654 7.534 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -5.704 -4.985 8.430 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -7.268 -4.145 8.557 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -7.002 -5.340 7.266 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -4.135 -4.462 6.585 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -5.405 -4.830 5.395 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -4.568 -3.260 5.346 1.00 0.73 H new ATOM 513 N VAL A 35 -4.561 -1.163 4.970 1.00 0.42 N ATOM 514 CA VAL A 35 -3.511 -1.171 3.911 1.00 0.43 C ATOM 515 C VAL A 35 -2.323 -2.059 4.290 1.00 0.44 C ATOM 516 O VAL A 35 -1.993 -2.225 5.444 1.00 0.46 O ATOM 517 CB VAL A 35 -3.060 0.274 3.671 1.00 0.47 C ATOM 518 CG1 VAL A 35 -4.275 1.110 3.273 1.00 0.46 C ATOM 519 CG2 VAL A 35 -2.453 0.883 4.946 1.00 0.52 C ATOM 0 H VAL A 35 -4.234 -0.948 5.912 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.929 -1.591 2.996 1.00 0.43 H new ATOM 0 HB VAL A 35 -2.306 0.273 2.884 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.966 2.141 3.100 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.713 0.704 2.361 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -5.014 1.082 4.074 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -2.142 1.908 4.747 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -3.198 0.878 5.742 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -1.589 0.295 5.254 1.00 0.52 H new ATOM 529 N THR A 36 -1.674 -2.617 3.294 1.00 0.45 N ATOM 530 CA THR A 36 -0.490 -3.488 3.557 1.00 0.48 C ATOM 531 C THR A 36 0.600 -3.308 2.488 1.00 0.48 C ATOM 532 O THR A 36 0.328 -2.959 1.359 1.00 0.48 O ATOM 533 CB THR A 36 -0.959 -4.945 3.591 1.00 0.56 C ATOM 534 OG1 THR A 36 0.058 -5.763 4.155 1.00 0.63 O ATOM 535 CG2 THR A 36 -1.298 -5.419 2.176 1.00 0.60 C ATOM 0 H THR A 36 -1.916 -2.505 2.310 1.00 0.45 H new ATOM 0 HA THR A 36 -0.051 -3.205 4.513 1.00 0.48 H new ATOM 0 HB THR A 36 -1.855 -5.020 4.207 1.00 0.56 H new ATOM 0 HG1 THR A 36 0.730 -5.197 4.589 1.00 0.63 H new ATOM 0 HG21 THR A 36 -1.631 -6.456 2.210 1.00 0.60 H new ATOM 0 HG22 THR A 36 -2.092 -4.796 1.764 1.00 0.60 H new ATOM 0 HG23 THR A 36 -0.413 -5.342 1.545 1.00 0.60 H new ATOM 543 N GLY A 37 1.829 -3.594 2.838 1.00 0.52 N ATOM 544 CA GLY A 37 2.955 -3.497 1.842 1.00 0.55 C ATOM 545 C GLY A 37 4.069 -4.442 2.293 1.00 0.70 C ATOM 546 O GLY A 37 4.040 -4.931 3.405 1.00 0.84 O ATOM 0 H GLY A 37 2.108 -3.892 3.773 1.00 0.52 H new ATOM 0 HA2 GLY A 37 2.606 -3.768 0.845 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.324 -2.473 1.783 1.00 0.55 H new ATOM 550 N PRO A 38 5.041 -4.724 1.459 1.00 0.74 N ATOM 551 CA PRO A 38 6.132 -5.650 1.855 1.00 0.93 C ATOM 552 C PRO A 38 6.864 -5.114 3.081 1.00 0.99 C ATOM 553 O PRO A 38 7.333 -3.993 3.101 1.00 0.94 O ATOM 554 CB PRO A 38 7.052 -5.703 0.631 1.00 0.94 C ATOM 555 CG PRO A 38 6.666 -4.536 -0.221 1.00 0.82 C ATOM 556 CD PRO A 38 5.215 -4.194 0.108 1.00 0.69 C ATOM 0 HA PRO A 38 5.768 -6.640 2.131 1.00 0.93 H new ATOM 0 HB2 PRO A 38 8.099 -5.642 0.926 1.00 0.94 H new ATOM 0 HB3 PRO A 38 6.928 -6.641 0.089 1.00 0.94 H new ATOM 0 HG2 PRO A 38 7.316 -3.684 -0.023 1.00 0.82 H new ATOM 0 HG3 PRO A 38 6.773 -4.780 -1.278 1.00 0.82 H new ATOM 0 HD2 PRO A 38 5.037 -3.119 0.072 1.00 0.69 H new ATOM 0 HD3 PRO A 38 4.523 -4.655 -0.597 1.00 0.69 H new ATOM 564 N LYS A 39 6.939 -5.897 4.113 1.00 1.20 N ATOM 565 CA LYS A 39 7.608 -5.430 5.353 1.00 1.37 C ATOM 566 C LYS A 39 9.078 -5.085 5.084 1.00 1.39 C ATOM 567 O LYS A 39 9.618 -4.123 5.585 1.00 1.45 O ATOM 568 CB LYS A 39 7.646 -6.619 6.316 1.00 1.66 C ATOM 569 CG LYS A 39 6.243 -7.110 6.673 1.00 2.17 C ATOM 570 CD LYS A 39 6.380 -8.242 7.701 1.00 2.45 C ATOM 571 CE LYS A 39 5.025 -8.907 7.955 1.00 3.15 C ATOM 572 NZ LYS A 39 4.674 -8.790 9.400 1.00 3.44 N ATOM 0 H LYS A 39 6.564 -6.845 4.153 1.00 1.20 H new ATOM 0 HA LYS A 39 7.074 -4.561 5.736 1.00 1.37 H new ATOM 0 HB2 LYS A 39 8.212 -7.434 5.864 1.00 1.66 H new ATOM 0 HB3 LYS A 39 8.173 -6.332 7.226 1.00 1.66 H new ATOM 0 HG2 LYS A 39 5.647 -6.294 7.083 1.00 2.17 H new ATOM 0 HG3 LYS A 39 5.726 -7.466 5.782 1.00 2.17 H new ATOM 0 HD2 LYS A 39 7.093 -8.983 7.340 1.00 2.45 H new ATOM 0 HD3 LYS A 39 6.777 -7.846 8.635 1.00 2.45 H new ATOM 0 HE2 LYS A 39 4.256 -8.434 7.344 1.00 3.15 H new ATOM 0 HE3 LYS A 39 5.063 -9.957 7.663 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 3.646 -8.667 9.499 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 4.969 -9.653 9.900 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 5.162 -7.968 9.810 1.00 3.44 H new ATOM 586 N ASP A 40 9.730 -5.931 4.334 1.00 1.42 N ATOM 587 CA ASP A 40 11.184 -5.750 4.051 1.00 1.48 C ATOM 588 C ASP A 40 11.492 -4.511 3.224 1.00 1.35 C ATOM 589 O ASP A 40 12.496 -3.858 3.428 1.00 1.42 O ATOM 590 CB ASP A 40 11.696 -6.978 3.301 1.00 1.59 C ATOM 591 CG ASP A 40 11.628 -8.201 4.218 1.00 1.79 C ATOM 592 OD1 ASP A 40 11.446 -8.013 5.410 1.00 2.27 O ATOM 593 OD2 ASP A 40 11.761 -9.303 3.713 1.00 2.01 O ATOM 0 H ASP A 40 9.311 -6.753 3.898 1.00 1.42 H new ATOM 0 HA ASP A 40 11.681 -5.624 5.013 1.00 1.48 H new ATOM 0 HB2 ASP A 40 11.097 -7.147 2.407 1.00 1.59 H new ATOM 0 HB3 ASP A 40 12.722 -6.814 2.971 1.00 1.59 H new ATOM 598 N ILE A 41 10.682 -4.238 2.242 1.00 1.20 N ATOM 599 CA ILE A 41 10.989 -3.099 1.342 1.00 1.13 C ATOM 600 C ILE A 41 10.268 -1.816 1.733 1.00 1.03 C ATOM 601 O ILE A 41 10.859 -0.907 2.260 1.00 1.27 O ATOM 602 CB ILE A 41 10.662 -3.501 -0.083 1.00 1.10 C ATOM 603 CG1 ILE A 41 11.516 -4.729 -0.425 1.00 1.29 C ATOM 604 CG2 ILE A 41 11.017 -2.340 -1.015 1.00 1.11 C ATOM 605 CD1 ILE A 41 11.134 -5.287 -1.789 1.00 2.05 C ATOM 0 H ILE A 41 9.827 -4.751 2.026 1.00 1.20 H new ATOM 0 HA ILE A 41 12.052 -2.873 1.433 1.00 1.13 H new ATOM 0 HB ILE A 41 9.604 -3.736 -0.197 1.00 1.10 H new ATOM 0 HG12 ILE A 41 12.571 -4.457 -0.420 1.00 1.29 H new ATOM 0 HG13 ILE A 41 11.381 -5.496 0.338 1.00 1.29 H new ATOM 0 HG21 ILE A 41 10.787 -2.616 -2.044 1.00 1.11 H new ATOM 0 HG22 ILE A 41 10.437 -1.460 -0.737 1.00 1.11 H new ATOM 0 HG23 ILE A 41 12.080 -2.116 -0.929 1.00 1.11 H new ATOM 0 HD11 ILE A 41 11.751 -6.157 -2.012 1.00 2.05 H new ATOM 0 HD12 ILE A 41 10.084 -5.579 -1.781 1.00 2.05 H new ATOM 0 HD13 ILE A 41 11.293 -4.524 -2.552 1.00 2.05 H new ATOM 617 N THR A 42 9.007 -1.702 1.451 1.00 0.78 N ATOM 618 CA THR A 42 8.305 -0.434 1.777 1.00 0.75 C ATOM 619 C THR A 42 8.386 -0.194 3.273 1.00 0.90 C ATOM 620 O THR A 42 8.541 0.922 3.729 1.00 1.07 O ATOM 621 CB THR A 42 6.842 -0.547 1.359 1.00 0.56 C ATOM 622 OG1 THR A 42 6.771 -0.908 -0.012 1.00 1.03 O ATOM 623 CG2 THR A 42 6.145 0.797 1.572 1.00 1.10 C ATOM 0 H THR A 42 8.434 -2.423 1.013 1.00 0.78 H new ATOM 0 HA THR A 42 8.772 0.396 1.246 1.00 0.75 H new ATOM 0 HB THR A 42 6.348 -1.309 1.962 1.00 0.56 H new ATOM 0 HG1 THR A 42 5.832 -0.983 -0.282 1.00 1.03 H new ATOM 0 HG21 THR A 42 5.100 0.716 1.273 1.00 1.10 H new ATOM 0 HG22 THR A 42 6.201 1.073 2.625 1.00 1.10 H new ATOM 0 HG23 THR A 42 6.636 1.561 0.970 1.00 1.10 H new ATOM 631 N GLY A 43 8.310 -1.236 4.035 1.00 0.93 N ATOM 632 CA GLY A 43 8.411 -1.097 5.503 1.00 1.12 C ATOM 633 C GLY A 43 7.025 -1.067 6.125 1.00 0.97 C ATOM 634 O GLY A 43 6.899 -1.085 7.334 1.00 1.10 O ATOM 0 H GLY A 43 8.181 -2.191 3.700 1.00 0.93 H new ATOM 0 HA2 GLY A 43 8.984 -1.927 5.915 1.00 1.12 H new ATOM 0 HA3 GLY A 43 8.949 -0.183 5.753 1.00 1.12 H new ATOM 638 N VAL A 44 5.970 -1.028 5.342 1.00 0.78 N ATOM 639 CA VAL A 44 4.629 -1.006 5.961 1.00 0.70 C ATOM 640 C VAL A 44 4.158 -2.443 6.092 1.00 0.72 C ATOM 641 O VAL A 44 4.238 -3.219 5.162 1.00 0.80 O ATOM 642 CB VAL A 44 3.680 -0.205 5.059 1.00 0.61 C ATOM 643 CG1 VAL A 44 4.219 1.213 4.859 1.00 0.79 C ATOM 644 CG2 VAL A 44 3.569 -0.894 3.717 1.00 1.06 C ATOM 0 H VAL A 44 5.989 -1.011 4.322 1.00 0.78 H new ATOM 0 HA VAL A 44 4.651 -0.536 6.944 1.00 0.70 H new ATOM 0 HB VAL A 44 2.698 -0.150 5.530 1.00 0.61 H new ATOM 0 HG11 VAL A 44 3.539 1.774 4.218 1.00 0.79 H new ATOM 0 HG12 VAL A 44 4.300 1.711 5.825 1.00 0.79 H new ATOM 0 HG13 VAL A 44 5.203 1.166 4.391 1.00 0.79 H new ATOM 0 HG21 VAL A 44 2.896 -0.329 3.072 1.00 1.06 H new ATOM 0 HG22 VAL A 44 4.554 -0.949 3.254 1.00 1.06 H new ATOM 0 HG23 VAL A 44 3.177 -1.901 3.857 1.00 1.06 H new ATOM 654 N LYS A 45 3.683 -2.818 7.243 1.00 0.80 N ATOM 655 CA LYS A 45 3.233 -4.221 7.406 1.00 0.91 C ATOM 656 C LYS A 45 1.767 -4.332 7.020 1.00 0.78 C ATOM 657 O LYS A 45 1.413 -4.716 5.912 1.00 0.83 O ATOM 658 CB LYS A 45 3.412 -4.597 8.885 1.00 1.14 C ATOM 659 CG LYS A 45 3.191 -6.093 9.077 1.00 1.87 C ATOM 660 CD LYS A 45 3.032 -6.412 10.570 1.00 2.04 C ATOM 661 CE LYS A 45 4.366 -6.212 11.293 1.00 2.84 C ATOM 662 NZ LYS A 45 4.292 -6.831 12.646 1.00 3.49 N ATOM 0 H LYS A 45 3.588 -2.223 8.066 1.00 0.80 H new ATOM 0 HA LYS A 45 3.812 -4.890 6.769 1.00 0.91 H new ATOM 0 HB2 LYS A 45 4.413 -4.324 9.219 1.00 1.14 H new ATOM 0 HB3 LYS A 45 2.707 -4.036 9.499 1.00 1.14 H new ATOM 0 HG2 LYS A 45 2.302 -6.411 8.532 1.00 1.87 H new ATOM 0 HG3 LYS A 45 4.033 -6.649 8.665 1.00 1.87 H new ATOM 0 HD2 LYS A 45 2.271 -5.767 11.009 1.00 2.04 H new ATOM 0 HD3 LYS A 45 2.691 -7.439 10.696 1.00 2.04 H new ATOM 0 HE2 LYS A 45 5.175 -6.663 10.718 1.00 2.84 H new ATOM 0 HE3 LYS A 45 4.590 -5.149 11.379 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 5.198 -6.696 13.139 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 3.530 -6.381 13.192 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 4.097 -7.848 12.552 1.00 3.49 H new ATOM 676 N ARG A 46 0.931 -3.915 7.917 1.00 0.67 N ATOM 677 CA ARG A 46 -0.522 -3.893 7.687 1.00 0.59 C ATOM 678 C ARG A 46 -1.040 -2.769 8.559 1.00 0.54 C ATOM 679 O ARG A 46 -0.825 -2.807 9.754 1.00 0.59 O ATOM 680 CB ARG A 46 -1.105 -5.202 8.206 1.00 0.62 C ATOM 681 CG ARG A 46 -2.577 -5.315 7.832 1.00 0.62 C ATOM 682 CD ARG A 46 -3.133 -6.572 8.488 1.00 0.73 C ATOM 683 NE ARG A 46 -4.519 -6.840 8.009 1.00 1.39 N ATOM 684 CZ ARG A 46 -5.377 -7.465 8.771 1.00 1.89 C ATOM 685 NH1 ARG A 46 -5.020 -7.899 9.951 1.00 2.10 N ATOM 686 NH2 ARG A 46 -6.594 -7.668 8.344 1.00 2.78 N ATOM 0 H ARG A 46 1.212 -3.575 8.837 1.00 0.67 H new ATOM 0 HA ARG A 46 -0.780 -3.764 6.636 1.00 0.59 H new ATOM 0 HB2 ARG A 46 -0.552 -6.044 7.789 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -0.994 -5.252 9.289 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -3.125 -4.435 8.169 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -2.692 -5.367 6.749 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -2.492 -7.423 8.259 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -3.132 -6.455 9.572 1.00 0.73 H new ATOM 0 HE ARG A 46 -4.800 -6.533 7.078 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -4.067 -7.751 10.282 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -5.695 -8.386 10.541 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -6.871 -7.339 7.419 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -7.267 -8.155 8.935 1.00 2.78 H new ATOM 700 N ARG A 47 -1.729 -1.788 8.068 1.00 0.50 N ATOM 701 CA ARG A 47 -2.219 -0.768 9.018 1.00 0.51 C ATOM 702 C ARG A 47 -3.407 -0.008 8.413 1.00 0.43 C ATOM 703 O ARG A 47 -3.690 -0.122 7.238 1.00 0.40 O ATOM 704 CB ARG A 47 -1.080 0.161 9.459 1.00 0.65 C ATOM 705 CG ARG A 47 -0.543 0.990 8.291 1.00 0.69 C ATOM 706 CD ARG A 47 0.725 1.712 8.754 1.00 0.88 C ATOM 707 NE ARG A 47 1.188 2.661 7.704 1.00 1.51 N ATOM 708 CZ ARG A 47 2.191 3.459 7.954 1.00 2.07 C ATOM 709 NH1 ARG A 47 2.853 3.340 9.073 1.00 2.26 N ATOM 710 NH2 ARG A 47 2.534 4.373 7.090 1.00 3.10 N ATOM 0 H ARG A 47 -1.968 -1.650 7.086 1.00 0.50 H new ATOM 0 HA ARG A 47 -2.580 -1.262 9.920 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -1.437 0.827 10.244 1.00 0.65 H new ATOM 0 HB3 ARG A 47 -0.272 -0.432 9.887 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.324 0.347 7.439 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.291 1.711 7.962 1.00 0.69 H new ATOM 0 HD2 ARG A 47 0.528 2.251 9.681 1.00 0.88 H new ATOM 0 HD3 ARG A 47 1.508 0.985 8.969 1.00 0.88 H new ATOM 0 HE ARG A 47 0.725 2.688 6.796 1.00 1.51 H new ATOM 0 HH11 ARG A 47 2.586 2.625 9.750 1.00 2.26 H new ATOM 0 HH12 ARG A 47 3.637 3.962 9.270 1.00 2.26 H new ATOM 0 HH21 ARG A 47 2.018 4.467 6.215 1.00 3.10 H new ATOM 0 HH22 ARG A 47 3.318 4.994 7.289 1.00 3.10 H new ATOM 724 N ARG A 48 -4.121 0.743 9.210 1.00 0.46 N ATOM 725 CA ARG A 48 -5.309 1.482 8.680 1.00 0.40 C ATOM 726 C ARG A 48 -4.952 2.932 8.316 1.00 0.40 C ATOM 727 O ARG A 48 -4.186 3.587 8.995 1.00 0.49 O ATOM 728 CB ARG A 48 -6.378 1.500 9.772 1.00 0.44 C ATOM 729 CG ARG A 48 -6.830 0.072 10.065 1.00 1.30 C ATOM 730 CD ARG A 48 -7.946 0.099 11.111 1.00 1.32 C ATOM 731 NE ARG A 48 -8.253 -1.296 11.540 1.00 1.71 N ATOM 732 CZ ARG A 48 -9.280 -1.532 12.309 1.00 2.17 C ATOM 733 NH1 ARG A 48 -10.039 -0.546 12.706 1.00 2.17 N ATOM 734 NH2 ARG A 48 -9.548 -2.754 12.682 1.00 3.00 N ATOM 0 H ARG A 48 -3.935 0.878 10.204 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.663 0.982 7.778 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -5.981 1.960 10.677 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -7.228 2.104 9.454 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -7.184 -0.404 9.151 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -5.990 -0.520 10.428 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -7.641 0.697 11.970 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -8.838 0.569 10.696 1.00 1.32 H new ATOM 0 HE ARG A 48 -7.659 -2.066 11.232 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -9.829 0.409 12.415 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -10.842 -0.731 13.307 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -8.955 -3.524 12.372 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -10.351 -2.939 13.283 1.00 3.00 H new ATOM 748 N VAL A 49 -5.541 3.436 7.256 1.00 0.35 N ATOM 749 CA VAL A 49 -5.292 4.853 6.834 1.00 0.41 C ATOM 750 C VAL A 49 -6.641 5.519 6.537 1.00 0.38 C ATOM 751 O VAL A 49 -7.552 4.894 6.023 1.00 0.37 O ATOM 752 CB VAL A 49 -4.414 4.892 5.582 1.00 0.50 C ATOM 753 CG1 VAL A 49 -5.169 4.269 4.416 1.00 1.63 C ATOM 754 CG2 VAL A 49 -4.073 6.345 5.243 1.00 1.04 C ATOM 0 H VAL A 49 -6.189 2.921 6.660 1.00 0.35 H new ATOM 0 HA VAL A 49 -4.776 5.384 7.634 1.00 0.41 H new ATOM 0 HB VAL A 49 -3.496 4.334 5.765 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -4.545 4.296 3.523 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -5.417 3.235 4.654 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -6.086 4.830 4.235 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -3.447 6.373 4.351 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -4.992 6.901 5.059 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -3.536 6.797 6.077 1.00 1.04 H new ATOM 764 N ASN A 50 -6.785 6.775 6.867 1.00 0.39 N ATOM 765 CA ASN A 50 -8.081 7.475 6.615 1.00 0.42 C ATOM 766 C ASN A 50 -8.095 8.176 5.240 1.00 0.42 C ATOM 767 O ASN A 50 -7.076 8.395 4.616 1.00 0.39 O ATOM 768 CB ASN A 50 -8.315 8.500 7.727 1.00 0.48 C ATOM 769 CG ASN A 50 -7.368 9.686 7.558 1.00 1.38 C ATOM 770 OD1 ASN A 50 -6.440 9.635 6.774 1.00 2.28 O ATOM 771 ND2 ASN A 50 -7.553 10.756 8.283 1.00 1.90 N ATOM 0 H ASN A 50 -6.061 7.348 7.301 1.00 0.39 H new ATOM 0 HA ASN A 50 -8.879 6.733 6.610 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -9.349 8.844 7.703 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -8.157 8.035 8.700 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -6.919 11.550 8.192 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -8.332 10.798 8.940 1.00 1.90 H new ATOM 778 N ILE A 51 -9.274 8.534 4.794 1.00 0.51 N ATOM 779 CA ILE A 51 -9.464 9.241 3.479 1.00 0.56 C ATOM 780 C ILE A 51 -8.719 10.586 3.454 1.00 0.57 C ATOM 781 O ILE A 51 -8.409 11.111 2.403 1.00 0.59 O ATOM 782 CB ILE A 51 -10.954 9.480 3.214 1.00 0.73 C ATOM 783 CG1 ILE A 51 -11.679 8.129 3.130 1.00 0.81 C ATOM 784 CG2 ILE A 51 -11.116 10.236 1.888 1.00 0.81 C ATOM 785 CD1 ILE A 51 -13.187 8.356 2.991 1.00 1.41 C ATOM 0 H ILE A 51 -10.142 8.362 5.300 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.052 8.602 2.699 1.00 0.56 H new ATOM 0 HB ILE A 51 -11.383 10.070 4.024 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -11.308 7.559 2.278 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -11.472 7.539 4.023 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -12.175 10.409 1.695 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -10.597 11.193 1.949 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -10.691 9.644 1.077 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -13.696 7.394 2.932 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -13.553 8.908 3.857 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -13.387 8.928 2.085 1.00 1.41 H new ATOM 797 N LEU A 52 -8.475 11.170 4.592 1.00 0.61 N ATOM 798 CA LEU A 52 -7.805 12.506 4.640 1.00 0.70 C ATOM 799 C LEU A 52 -6.486 12.444 3.874 1.00 0.64 C ATOM 800 O LEU A 52 -6.109 13.399 3.223 1.00 0.75 O ATOM 801 CB LEU A 52 -7.524 12.891 6.093 1.00 0.76 C ATOM 802 CG LEU A 52 -8.825 12.882 6.906 1.00 0.85 C ATOM 803 CD1 LEU A 52 -8.540 13.375 8.324 1.00 1.25 C ATOM 804 CD2 LEU A 52 -9.857 13.808 6.255 1.00 1.08 C ATOM 0 H LEU A 52 -8.712 10.778 5.503 1.00 0.61 H new ATOM 0 HA LEU A 52 -8.459 13.250 4.186 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -6.809 12.194 6.530 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -7.069 13.881 6.133 1.00 0.76 H new ATOM 0 HG LEU A 52 -9.218 11.866 6.935 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -9.463 13.369 8.904 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -7.810 12.718 8.798 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -8.143 14.389 8.284 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -10.777 13.795 6.839 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -9.464 14.824 6.220 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -10.066 13.465 5.242 1.00 1.08 H new ATOM 816 N HIS A 53 -5.835 11.310 3.860 1.00 0.52 N ATOM 817 CA HIS A 53 -4.603 11.182 3.030 1.00 0.55 C ATOM 818 C HIS A 53 -4.896 10.093 2.004 1.00 0.45 C ATOM 819 O HIS A 53 -4.702 8.920 2.258 1.00 0.50 O ATOM 820 CB HIS A 53 -3.420 10.766 3.909 1.00 0.70 C ATOM 821 CG HIS A 53 -3.211 11.800 4.980 1.00 0.84 C ATOM 822 ND1 HIS A 53 -2.727 13.071 4.697 1.00 1.50 N ATOM 823 CD2 HIS A 53 -3.422 11.773 6.337 1.00 1.35 C ATOM 824 CE1 HIS A 53 -2.665 13.749 5.859 1.00 1.35 C ATOM 825 NE2 HIS A 53 -3.077 13.002 6.885 1.00 1.20 N ATOM 0 H HIS A 53 -6.101 10.475 4.382 1.00 0.52 H new ATOM 0 HA HIS A 53 -4.345 12.126 2.550 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -3.611 9.792 4.360 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -2.519 10.666 3.303 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -3.798 10.927 6.892 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -2.324 14.770 5.949 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -3.128 13.276 7.866 1.00 1.20 H new ATOM 834 N LEU A 54 -5.378 10.480 0.853 1.00 0.42 N ATOM 835 CA LEU A 54 -5.716 9.497 -0.213 1.00 0.43 C ATOM 836 C LEU A 54 -4.775 9.693 -1.419 1.00 0.36 C ATOM 837 O LEU A 54 -4.626 10.785 -1.928 1.00 0.39 O ATOM 838 CB LEU A 54 -7.192 9.728 -0.576 1.00 0.59 C ATOM 839 CG LEU A 54 -7.727 8.606 -1.473 1.00 0.92 C ATOM 840 CD1 LEU A 54 -9.235 8.482 -1.260 1.00 1.56 C ATOM 841 CD2 LEU A 54 -7.465 8.929 -2.943 1.00 1.29 C ATOM 0 H LEU A 54 -5.554 11.453 0.604 1.00 0.42 H new ATOM 0 HA LEU A 54 -5.581 8.468 0.119 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.788 9.784 0.335 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.298 10.686 -1.086 1.00 0.59 H new ATOM 0 HG LEU A 54 -7.223 7.674 -1.216 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -9.628 7.686 -1.893 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -9.437 8.247 -0.215 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -9.718 9.424 -1.520 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -7.851 8.123 -3.567 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -7.965 9.862 -3.205 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -6.392 9.033 -3.107 1.00 1.29 H new ATOM 853 N GLU A 55 -4.166 8.635 -1.894 1.00 0.39 N ATOM 854 CA GLU A 55 -3.259 8.727 -3.088 1.00 0.38 C ATOM 855 C GLU A 55 -3.494 7.476 -3.953 1.00 0.43 C ATOM 856 O GLU A 55 -2.934 6.435 -3.670 1.00 0.50 O ATOM 857 CB GLU A 55 -1.806 8.778 -2.626 1.00 0.44 C ATOM 858 CG GLU A 55 -1.049 9.833 -3.434 1.00 0.85 C ATOM 859 CD GLU A 55 -1.201 9.539 -4.926 1.00 1.55 C ATOM 860 OE1 GLU A 55 -0.649 8.547 -5.373 1.00 2.20 O ATOM 861 OE2 GLU A 55 -1.867 10.310 -5.598 1.00 2.28 O ATOM 0 H GLU A 55 -4.258 7.698 -1.502 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.469 9.629 -3.663 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.760 9.016 -1.563 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.338 7.802 -2.754 1.00 0.44 H new ATOM 0 HG2 GLU A 55 -1.436 10.827 -3.207 1.00 0.85 H new ATOM 0 HG3 GLU A 55 0.005 9.831 -3.158 1.00 0.85 H new ATOM 868 N PRO A 56 -4.351 7.516 -4.944 1.00 0.46 N ATOM 869 CA PRO A 56 -4.665 6.314 -5.750 1.00 0.52 C ATOM 870 C PRO A 56 -3.818 6.165 -7.014 1.00 0.50 C ATOM 871 O PRO A 56 -3.463 7.134 -7.655 1.00 0.53 O ATOM 872 CB PRO A 56 -6.124 6.556 -6.127 1.00 0.66 C ATOM 873 CG PRO A 56 -6.279 8.048 -6.202 1.00 0.69 C ATOM 874 CD PRO A 56 -5.098 8.675 -5.450 1.00 0.56 C ATOM 0 HA PRO A 56 -4.466 5.398 -5.194 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -6.365 6.088 -7.082 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -6.797 6.129 -5.384 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.292 8.380 -7.240 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.224 8.358 -5.757 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -4.485 9.290 -6.109 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -5.437 9.318 -4.638 1.00 0.56 H new ATOM 882 N THR A 57 -3.541 4.943 -7.397 1.00 0.56 N ATOM 883 CA THR A 57 -2.772 4.692 -8.649 1.00 0.63 C ATOM 884 C THR A 57 -3.649 3.852 -9.576 1.00 0.66 C ATOM 885 O THR A 57 -4.586 3.221 -9.134 1.00 0.71 O ATOM 886 CB THR A 57 -1.495 3.915 -8.329 1.00 0.78 C ATOM 887 OG1 THR A 57 -1.832 2.583 -7.968 1.00 0.88 O ATOM 888 CG2 THR A 57 -0.751 4.594 -7.178 1.00 0.78 C ATOM 0 H THR A 57 -3.819 4.103 -6.889 1.00 0.56 H new ATOM 0 HA THR A 57 -2.501 5.637 -9.119 1.00 0.63 H new ATOM 0 HB THR A 57 -0.849 3.899 -9.207 1.00 0.78 H new ATOM 0 HG1 THR A 57 -2.223 2.577 -7.070 1.00 0.88 H new ATOM 0 HG21 THR A 57 0.158 4.037 -6.954 1.00 0.78 H new ATOM 0 HG22 THR A 57 -0.491 5.613 -7.464 1.00 0.78 H new ATOM 0 HG23 THR A 57 -1.390 4.617 -6.295 1.00 0.78 H new ATOM 896 N ASP A 58 -3.353 3.805 -10.847 1.00 0.71 N ATOM 897 CA ASP A 58 -4.187 2.963 -11.745 1.00 0.78 C ATOM 898 C ASP A 58 -3.727 1.534 -11.538 1.00 0.87 C ATOM 899 O ASP A 58 -2.545 1.265 -11.479 1.00 1.59 O ATOM 900 CB ASP A 58 -4.063 3.421 -13.211 1.00 0.88 C ATOM 901 CG ASP A 58 -2.628 3.273 -13.737 1.00 1.77 C ATOM 902 OD1 ASP A 58 -1.826 2.640 -13.082 1.00 2.57 O ATOM 903 OD2 ASP A 58 -2.355 3.822 -14.792 1.00 2.16 O ATOM 0 H ASP A 58 -2.584 4.304 -11.294 1.00 0.71 H new ATOM 0 HA ASP A 58 -5.247 3.052 -11.508 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -4.740 2.835 -13.833 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -4.375 4.462 -13.294 1.00 0.88 H new ATOM 908 N LYS A 59 -4.626 0.597 -11.415 1.00 0.69 N ATOM 909 CA LYS A 59 -4.143 -0.780 -11.204 1.00 0.63 C ATOM 910 C LYS A 59 -5.334 -1.765 -11.294 1.00 0.92 C ATOM 911 O LYS A 59 -6.455 -1.397 -11.580 1.00 1.56 O ATOM 912 CB LYS A 59 -3.432 -0.862 -9.853 1.00 0.62 C ATOM 913 CG LYS A 59 -2.442 -2.022 -9.867 1.00 1.23 C ATOM 914 CD LYS A 59 -1.718 -2.061 -8.549 1.00 1.26 C ATOM 915 CE LYS A 59 -0.563 -3.050 -8.684 1.00 2.14 C ATOM 916 NZ LYS A 59 -1.080 -4.340 -9.222 1.00 2.90 N ATOM 0 H LYS A 59 -5.637 0.724 -11.451 1.00 0.69 H new ATOM 0 HA LYS A 59 -3.427 -1.057 -11.978 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -2.910 0.073 -9.648 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -4.161 -1.002 -9.055 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -2.966 -2.963 -10.037 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -1.731 -1.901 -10.684 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -1.345 -1.071 -8.288 1.00 1.26 H new ATOM 0 HD3 LYS A 59 -2.393 -2.368 -7.750 1.00 1.26 H new ATOM 0 HE2 LYS A 59 0.201 -2.646 -9.348 1.00 2.14 H new ATOM 0 HE3 LYS A 59 -0.091 -3.210 -7.715 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 -0.338 -5.066 -9.157 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 -1.907 -4.640 -8.668 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 -1.356 -4.215 -10.217 1.00 2.90 H new ATOM 930 N LYS A 60 -5.063 -3.000 -11.018 1.00 0.91 N ATOM 931 CA LYS A 60 -6.060 -4.095 -11.015 1.00 1.21 C ATOM 932 C LYS A 60 -6.774 -4.069 -9.672 1.00 0.55 C ATOM 933 O LYS A 60 -6.206 -3.635 -8.695 1.00 1.43 O ATOM 934 CB LYS A 60 -5.306 -5.413 -11.122 1.00 2.34 C ATOM 935 CG LYS A 60 -6.302 -6.558 -11.254 1.00 2.82 C ATOM 936 CD LYS A 60 -5.548 -7.890 -11.311 1.00 3.96 C ATOM 937 CE LYS A 60 -6.533 -9.026 -11.596 1.00 4.45 C ATOM 938 NZ LYS A 60 -6.178 -9.679 -12.888 1.00 5.03 N ATOM 0 H LYS A 60 -4.123 -3.314 -10.778 1.00 0.91 H new ATOM 0 HA LYS A 60 -6.768 -3.984 -11.836 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -4.640 -5.395 -11.985 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -4.682 -5.560 -10.241 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -6.990 -6.554 -10.409 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -6.902 -6.429 -12.155 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -4.784 -7.854 -12.088 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -5.034 -8.069 -10.367 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -6.506 -9.757 -10.788 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -7.550 -8.637 -11.640 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -6.847 -10.451 -13.082 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -6.225 -8.979 -13.655 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -5.213 -10.063 -12.829 1.00 5.03 H new ATOM 952 N ILE A 61 -7.999 -4.537 -9.601 1.00 0.90 N ATOM 953 CA ILE A 61 -8.701 -4.536 -8.273 1.00 1.43 C ATOM 954 C ILE A 61 -9.506 -5.819 -7.970 1.00 0.99 C ATOM 955 O ILE A 61 -10.705 -5.876 -8.147 1.00 1.45 O ATOM 956 CB ILE A 61 -9.671 -3.353 -8.269 1.00 2.80 C ATOM 957 CG1 ILE A 61 -10.461 -3.353 -9.585 1.00 3.66 C ATOM 958 CG2 ILE A 61 -8.917 -2.030 -8.113 1.00 3.54 C ATOM 959 CD1 ILE A 61 -11.651 -2.410 -9.467 1.00 4.81 C ATOM 0 H ILE A 61 -8.534 -4.912 -10.384 1.00 0.90 H new ATOM 0 HA ILE A 61 -7.930 -4.471 -7.505 1.00 1.43 H new ATOM 0 HB ILE A 61 -10.353 -3.454 -7.425 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -9.817 -3.041 -10.407 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -10.805 -4.362 -9.814 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -9.628 -1.204 -8.113 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -8.366 -2.034 -7.173 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -8.220 -1.909 -8.942 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -12.211 -2.411 -10.402 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -12.299 -2.742 -8.656 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -11.296 -1.401 -9.258 1.00 4.81 H new ATOM 971 N ASP A 62 -8.847 -6.842 -7.485 1.00 1.05 N ATOM 972 CA ASP A 62 -9.589 -8.102 -7.151 1.00 0.82 C ATOM 973 C ASP A 62 -8.982 -8.827 -5.945 1.00 0.92 C ATOM 974 O ASP A 62 -8.121 -9.671 -6.091 1.00 1.22 O ATOM 975 CB ASP A 62 -9.556 -9.028 -8.351 1.00 1.33 C ATOM 976 CG ASP A 62 -10.427 -10.255 -8.076 1.00 1.56 C ATOM 977 OD1 ASP A 62 -11.080 -10.274 -7.047 1.00 2.06 O ATOM 978 OD2 ASP A 62 -10.425 -11.155 -8.901 1.00 2.14 O ATOM 0 H ASP A 62 -7.843 -6.863 -7.307 1.00 1.05 H new ATOM 0 HA ASP A 62 -10.613 -7.828 -6.896 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -9.916 -8.505 -9.237 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -8.531 -9.336 -8.557 1.00 1.33 H new ATOM 983 N ILE A 63 -9.467 -8.537 -4.760 1.00 0.75 N ATOM 984 CA ILE A 63 -8.967 -9.247 -3.538 1.00 0.87 C ATOM 985 C ILE A 63 -10.151 -9.746 -2.725 1.00 0.70 C ATOM 986 O ILE A 63 -11.261 -9.277 -2.861 1.00 0.66 O ATOM 987 CB ILE A 63 -8.147 -8.328 -2.622 1.00 1.06 C ATOM 988 CG1 ILE A 63 -9.039 -7.253 -1.966 1.00 0.94 C ATOM 989 CG2 ILE A 63 -7.048 -7.655 -3.439 1.00 1.72 C ATOM 990 CD1 ILE A 63 -9.849 -6.504 -3.022 1.00 1.64 C ATOM 0 H ILE A 63 -10.189 -7.838 -4.586 1.00 0.75 H new ATOM 0 HA ILE A 63 -8.333 -10.063 -3.885 1.00 0.87 H new ATOM 0 HB ILE A 63 -7.707 -8.933 -1.829 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -9.713 -7.721 -1.248 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -8.420 -6.550 -1.410 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -6.463 -7.001 -2.793 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -6.397 -8.416 -3.870 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -7.498 -7.067 -4.239 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -10.471 -5.751 -2.537 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -9.171 -6.018 -3.724 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -10.484 -7.208 -3.560 1.00 1.64 H new ATOM 1002 N GLN A 64 -9.913 -10.659 -1.843 1.00 0.71 N ATOM 1003 CA GLN A 64 -11.026 -11.122 -0.989 1.00 0.66 C ATOM 1004 C GLN A 64 -11.297 -9.963 -0.013 1.00 0.61 C ATOM 1005 O GLN A 64 -11.576 -8.858 -0.430 1.00 1.32 O ATOM 1006 CB GLN A 64 -10.606 -12.385 -0.226 1.00 0.77 C ATOM 1007 CG GLN A 64 -11.818 -13.000 0.487 1.00 1.23 C ATOM 1008 CD GLN A 64 -11.385 -14.271 1.220 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -10.267 -14.722 1.067 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -12.229 -14.871 2.014 1.00 2.59 N ATOM 0 H GLN A 64 -9.009 -11.101 -1.676 1.00 0.71 H new ATOM 0 HA GLN A 64 -11.915 -11.376 -1.567 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -10.175 -13.110 -0.917 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.833 -12.139 0.502 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -12.239 -12.285 1.194 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -12.600 -13.232 -0.236 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -13.167 -14.492 2.142 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -11.951 -15.719 2.507 1.00 2.59 H new ATOM 1019 N LYS A 65 -11.195 -10.187 1.261 1.00 0.80 N ATOM 1020 CA LYS A 65 -11.420 -9.079 2.246 1.00 0.78 C ATOM 1021 C LYS A 65 -11.084 -9.589 3.648 1.00 0.69 C ATOM 1022 O LYS A 65 -11.556 -10.636 4.043 1.00 0.82 O ATOM 1023 CB LYS A 65 -12.886 -8.631 2.209 1.00 1.04 C ATOM 1024 CG LYS A 65 -13.040 -7.335 3.010 1.00 1.72 C ATOM 1025 CD LYS A 65 -14.526 -7.038 3.253 1.00 1.99 C ATOM 1026 CE LYS A 65 -15.214 -6.648 1.939 1.00 2.85 C ATOM 1027 NZ LYS A 65 -14.413 -5.605 1.237 1.00 3.48 N ATOM 0 H LYS A 65 -10.965 -11.091 1.674 1.00 0.80 H new ATOM 0 HA LYS A 65 -10.784 -8.232 1.990 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -13.205 -8.475 1.178 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -13.526 -9.408 2.626 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -12.518 -7.423 3.963 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -12.579 -6.508 2.470 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -15.014 -7.914 3.680 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -14.628 -6.231 3.978 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -15.323 -7.525 1.301 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -16.218 -6.274 2.141 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -15.043 -5.018 0.653 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -13.933 -5.005 1.938 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -13.704 -6.063 0.629 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.309 -8.881 4.434 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.030 -9.390 5.804 1.00 0.60 C ATOM 1043 C GLY A 66 -8.919 -10.436 5.761 1.00 0.55 C ATOM 1044 O GLY A 66 -8.777 -11.228 6.672 1.00 0.64 O ATOM 0 H GLY A 66 -9.869 -7.994 4.190 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -9.738 -8.565 6.454 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -10.934 -9.826 6.229 1.00 0.60 H new ATOM 1048 N ALA A 67 -8.151 -10.489 4.706 1.00 0.50 N ATOM 1049 CA ALA A 67 -7.095 -11.550 4.640 1.00 0.56 C ATOM 1050 C ALA A 67 -6.155 -11.504 5.878 1.00 0.56 C ATOM 1051 O ALA A 67 -5.829 -10.451 6.388 1.00 0.54 O ATOM 1052 CB ALA A 67 -6.293 -11.355 3.351 1.00 0.62 C ATOM 0 H ALA A 67 -8.203 -9.862 3.903 1.00 0.50 H new ATOM 0 HA ALA A 67 -7.574 -12.529 4.642 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -5.518 -12.119 3.285 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -6.959 -11.438 2.492 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -5.830 -10.368 3.356 1.00 0.62 H new ATOM 1058 N SER A 68 -5.701 -12.664 6.333 1.00 0.63 N ATOM 1059 CA SER A 68 -4.753 -12.750 7.511 1.00 0.65 C ATOM 1060 C SER A 68 -3.421 -12.160 7.061 1.00 0.60 C ATOM 1061 O SER A 68 -3.249 -11.919 5.889 1.00 0.56 O ATOM 1062 CB SER A 68 -4.556 -14.203 7.940 1.00 0.73 C ATOM 1063 OG SER A 68 -3.713 -14.853 7.006 1.00 0.73 O ATOM 0 H SER A 68 -5.952 -13.567 5.931 1.00 0.63 H new ATOM 0 HA SER A 68 -5.158 -12.204 8.363 1.00 0.65 H new ATOM 0 HB2 SER A 68 -4.115 -14.244 8.936 1.00 0.73 H new ATOM 0 HB3 SER A 68 -5.518 -14.712 7.996 1.00 0.73 H new ATOM 0 HG SER A 68 -2.789 -14.838 7.333 1.00 0.73 H new ATOM 1069 N ASP A 69 -2.455 -11.900 7.919 1.00 0.64 N ATOM 1070 CA ASP A 69 -1.207 -11.323 7.365 1.00 0.60 C ATOM 1071 C ASP A 69 -0.589 -12.244 6.334 1.00 0.57 C ATOM 1072 O ASP A 69 -0.231 -11.803 5.275 1.00 0.51 O ATOM 1073 CB ASP A 69 -0.192 -11.168 8.494 1.00 0.66 C ATOM 1074 CG ASP A 69 -0.656 -10.087 9.471 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -1.593 -9.380 9.139 1.00 1.69 O ATOM 1076 OD2 ASP A 69 -0.069 -9.986 10.535 1.00 2.02 O ATOM 0 H ASP A 69 -2.481 -12.056 8.927 1.00 0.64 H new ATOM 0 HA ASP A 69 -1.454 -10.367 6.903 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -0.072 -12.116 9.018 1.00 0.66 H new ATOM 0 HB3 ASP A 69 0.783 -10.905 8.084 1.00 0.66 H new ATOM 1081 N GLU A 70 -0.450 -13.515 6.600 1.00 0.64 N ATOM 1082 CA GLU A 70 0.187 -14.352 5.559 1.00 0.64 C ATOM 1083 C GLU A 70 -0.700 -14.339 4.327 1.00 0.59 C ATOM 1084 O GLU A 70 -0.245 -14.214 3.207 1.00 0.57 O ATOM 1085 CB GLU A 70 0.353 -15.773 6.085 1.00 0.75 C ATOM 1086 CG GLU A 70 1.168 -16.573 5.081 1.00 1.34 C ATOM 1087 CD GLU A 70 1.270 -18.028 5.540 1.00 1.66 C ATOM 1088 OE1 GLU A 70 0.700 -18.344 6.572 1.00 2.30 O ATOM 1089 OE2 GLU A 70 1.916 -18.801 4.854 1.00 1.89 O ATOM 0 H GLU A 70 -0.738 -13.989 7.456 1.00 0.64 H new ATOM 0 HA GLU A 70 1.172 -13.963 5.301 1.00 0.64 H new ATOM 0 HB2 GLU A 70 0.853 -15.761 7.054 1.00 0.75 H new ATOM 0 HB3 GLU A 70 -0.622 -16.237 6.235 1.00 0.75 H new ATOM 0 HG2 GLU A 70 0.700 -16.524 4.098 1.00 1.34 H new ATOM 0 HG3 GLU A 70 2.164 -16.142 4.982 1.00 1.34 H new ATOM 1096 N GLU A 71 -1.978 -14.436 4.541 1.00 0.59 N ATOM 1097 CA GLU A 71 -2.908 -14.395 3.393 1.00 0.57 C ATOM 1098 C GLU A 71 -2.816 -13.019 2.749 1.00 0.51 C ATOM 1099 O GLU A 71 -2.855 -12.889 1.551 1.00 0.51 O ATOM 1100 CB GLU A 71 -4.338 -14.679 3.857 1.00 0.64 C ATOM 1101 CG GLU A 71 -4.431 -16.124 4.361 1.00 0.90 C ATOM 1102 CD GLU A 71 -5.872 -16.428 4.778 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -6.663 -15.500 4.823 1.00 1.50 O ATOM 1104 OE2 GLU A 71 -6.158 -17.584 5.045 1.00 1.96 O ATOM 0 H GLU A 71 -2.414 -14.541 5.457 1.00 0.59 H new ATOM 0 HA GLU A 71 -2.637 -15.160 2.665 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -4.619 -13.986 4.650 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -5.037 -14.523 3.035 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -4.114 -16.814 3.579 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -3.758 -16.270 5.206 1.00 0.90 H new ATOM 1111 N VAL A 72 -2.633 -11.995 3.543 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.497 -10.625 2.971 1.00 0.46 C ATOM 1113 C VAL A 72 -1.271 -10.580 2.082 1.00 0.41 C ATOM 1114 O VAL A 72 -1.271 -9.984 1.023 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.310 -9.593 4.082 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -1.993 -8.243 3.448 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -3.588 -9.468 4.912 1.00 0.59 C ATOM 0 H VAL A 72 -2.572 -12.050 4.560 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.401 -10.395 2.407 1.00 0.46 H new ATOM 0 HB VAL A 72 -1.495 -9.910 4.733 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -1.857 -7.496 4.231 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -1.079 -8.323 2.860 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -2.816 -7.943 2.800 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -3.440 -8.729 5.700 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.410 -9.153 4.269 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -3.827 -10.433 5.360 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.221 -11.215 2.511 1.00 0.40 N ATOM 1128 CA LYS A 73 1.000 -11.207 1.682 1.00 0.43 C ATOM 1129 C LYS A 73 0.676 -11.827 0.323 1.00 0.47 C ATOM 1130 O LYS A 73 1.121 -11.362 -0.701 1.00 0.51 O ATOM 1131 CB LYS A 73 2.096 -12.001 2.396 1.00 0.48 C ATOM 1132 CG LYS A 73 2.484 -11.294 3.695 1.00 0.50 C ATOM 1133 CD LYS A 73 3.651 -12.046 4.328 1.00 0.59 C ATOM 1134 CE LYS A 73 3.963 -11.431 5.682 1.00 0.76 C ATOM 1135 NZ LYS A 73 5.108 -12.153 6.306 1.00 0.79 N ATOM 0 H LYS A 73 -0.159 -11.731 3.388 1.00 0.40 H new ATOM 0 HA LYS A 73 1.354 -10.187 1.529 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.745 -13.010 2.611 1.00 0.48 H new ATOM 0 HB3 LYS A 73 2.968 -12.098 1.749 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.765 -10.260 3.494 1.00 0.50 H new ATOM 0 HG3 LYS A 73 1.636 -11.267 4.379 1.00 0.50 H new ATOM 0 HD2 LYS A 73 3.401 -13.101 4.443 1.00 0.59 H new ATOM 0 HD3 LYS A 73 4.527 -11.995 3.681 1.00 0.59 H new ATOM 0 HE2 LYS A 73 4.206 -10.375 5.566 1.00 0.76 H new ATOM 0 HE3 LYS A 73 3.088 -11.488 6.329 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 5.062 -12.050 7.340 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 5.060 -13.161 6.056 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 6.002 -11.752 5.958 1.00 0.79 H new ATOM 1149 N LYS A 74 -0.095 -12.879 0.285 1.00 0.49 N ATOM 1150 CA LYS A 74 -0.398 -13.459 -1.048 1.00 0.57 C ATOM 1151 C LYS A 74 -1.110 -12.406 -1.907 1.00 0.58 C ATOM 1152 O LYS A 74 -0.778 -12.205 -3.058 1.00 0.63 O ATOM 1153 CB LYS A 74 -1.291 -14.682 -0.884 1.00 0.63 C ATOM 1154 CG LYS A 74 -0.530 -15.770 -0.130 1.00 1.16 C ATOM 1155 CD LYS A 74 -1.386 -17.030 -0.080 1.00 1.19 C ATOM 1156 CE LYS A 74 -0.695 -18.089 0.778 1.00 2.01 C ATOM 1157 NZ LYS A 74 -1.181 -17.979 2.182 1.00 2.33 N ATOM 0 H LYS A 74 -0.514 -13.346 1.089 1.00 0.49 H new ATOM 0 HA LYS A 74 0.529 -13.759 -1.536 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -2.197 -14.414 -0.341 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.603 -15.052 -1.861 1.00 0.63 H new ATOM 0 HG2 LYS A 74 0.418 -15.978 -0.625 1.00 1.16 H new ATOM 0 HG3 LYS A 74 -0.295 -15.434 0.880 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -2.368 -16.798 0.333 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -1.546 -17.413 -1.088 1.00 1.19 H new ATOM 0 HE2 LYS A 74 -0.904 -19.084 0.386 1.00 2.01 H new ATOM 0 HE3 LYS A 74 0.386 -17.953 0.743 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 -0.713 -18.699 2.769 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -0.960 -17.033 2.553 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 -2.210 -18.129 2.206 1.00 2.33 H new ATOM 1171 N LYS A 75 -2.052 -11.686 -1.336 1.00 0.55 N ATOM 1172 CA LYS A 75 -2.726 -10.601 -2.109 1.00 0.59 C ATOM 1173 C LYS A 75 -1.722 -9.529 -2.478 1.00 0.55 C ATOM 1174 O LYS A 75 -1.825 -8.896 -3.506 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.895 -9.958 -1.337 1.00 0.62 C ATOM 1176 CG LYS A 75 -5.114 -10.906 -1.290 1.00 1.06 C ATOM 1177 CD LYS A 75 -5.042 -11.880 -0.117 1.00 1.32 C ATOM 1178 CE LYS A 75 -4.673 -13.264 -0.649 1.00 1.88 C ATOM 1179 NZ LYS A 75 -5.841 -13.847 -1.367 1.00 2.62 N ATOM 0 H LYS A 75 -2.377 -11.805 -0.377 1.00 0.55 H new ATOM 0 HA LYS A 75 -3.138 -11.062 -3.006 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -3.577 -9.718 -0.322 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -4.178 -9.019 -1.813 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -6.028 -10.317 -1.215 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -5.172 -11.467 -2.223 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -4.300 -11.544 0.608 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -6.000 -11.918 0.402 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -3.818 -13.191 -1.322 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -4.376 -13.915 0.174 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -5.789 -14.885 -1.328 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -6.721 -13.527 -0.915 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -5.829 -13.537 -2.359 1.00 2.62 H new ATOM 1193 N LEU A 76 -0.770 -9.280 -1.626 1.00 0.51 N ATOM 1194 CA LEU A 76 0.211 -8.212 -1.903 1.00 0.52 C ATOM 1195 C LEU A 76 0.931 -8.485 -3.221 1.00 0.54 C ATOM 1196 O LEU A 76 1.136 -7.599 -4.013 1.00 0.59 O ATOM 1197 CB LEU A 76 1.170 -8.288 -0.716 1.00 0.58 C ATOM 1198 CG LEU A 76 2.148 -7.130 -0.662 1.00 0.76 C ATOM 1199 CD1 LEU A 76 2.489 -6.885 0.797 1.00 1.30 C ATOM 1200 CD2 LEU A 76 3.448 -7.512 -1.363 1.00 1.28 C ATOM 0 H LEU A 76 -0.633 -9.777 -0.746 1.00 0.51 H new ATOM 0 HA LEU A 76 -0.240 -7.225 -2.008 1.00 0.52 H new ATOM 0 HB2 LEU A 76 0.593 -8.311 0.208 1.00 0.58 H new ATOM 0 HB3 LEU A 76 1.727 -9.223 -0.767 1.00 0.58 H new ATOM 0 HG LEU A 76 1.705 -6.256 -1.140 1.00 0.76 H new ATOM 0 HD11 LEU A 76 3.193 -6.056 0.872 1.00 1.30 H new ATOM 0 HD12 LEU A 76 1.580 -6.641 1.347 1.00 1.30 H new ATOM 0 HD13 LEU A 76 2.939 -7.782 1.221 1.00 1.30 H new ATOM 0 HD21 LEU A 76 4.144 -6.675 -1.319 1.00 1.28 H new ATOM 0 HD22 LEU A 76 3.889 -8.377 -0.867 1.00 1.28 H new ATOM 0 HD23 LEU A 76 3.241 -7.758 -2.405 1.00 1.28 H new ATOM 1212 N GLU A 77 1.317 -9.703 -3.459 1.00 0.54 N ATOM 1213 CA GLU A 77 2.057 -10.006 -4.724 1.00 0.62 C ATOM 1214 C GLU A 77 1.177 -9.622 -5.910 1.00 0.66 C ATOM 1215 O GLU A 77 1.652 -9.216 -6.952 1.00 0.72 O ATOM 1216 CB GLU A 77 2.402 -11.486 -4.800 1.00 0.67 C ATOM 1217 CG GLU A 77 3.350 -11.849 -3.654 1.00 0.65 C ATOM 1218 CD GLU A 77 3.755 -13.320 -3.769 1.00 1.04 C ATOM 1219 OE1 GLU A 77 3.177 -14.012 -4.590 1.00 1.70 O ATOM 1220 OE2 GLU A 77 4.638 -13.731 -3.032 1.00 1.47 O ATOM 0 H GLU A 77 1.157 -10.500 -2.843 1.00 0.54 H new ATOM 0 HA GLU A 77 2.986 -9.436 -4.744 1.00 0.62 H new ATOM 0 HB2 GLU A 77 1.494 -12.086 -4.739 1.00 0.67 H new ATOM 0 HB3 GLU A 77 2.869 -11.713 -5.758 1.00 0.67 H new ATOM 0 HG2 GLU A 77 4.235 -11.214 -3.686 1.00 0.65 H new ATOM 0 HG3 GLU A 77 2.863 -11.669 -2.695 1.00 0.65 H new ATOM 1227 N GLU A 78 -0.102 -9.731 -5.742 1.00 0.65 N ATOM 1228 CA GLU A 78 -1.012 -9.352 -6.852 1.00 0.71 C ATOM 1229 C GLU A 78 -0.610 -7.936 -7.272 1.00 0.67 C ATOM 1230 O GLU A 78 -0.736 -7.548 -8.417 1.00 0.72 O ATOM 1231 CB GLU A 78 -2.469 -9.357 -6.382 1.00 0.74 C ATOM 1232 CG GLU A 78 -3.394 -9.105 -7.575 1.00 1.38 C ATOM 1233 CD GLU A 78 -3.360 -10.313 -8.513 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -3.054 -11.396 -8.042 1.00 1.85 O ATOM 1235 OE2 GLU A 78 -3.640 -10.133 -9.686 1.00 2.29 O ATOM 0 H GLU A 78 -0.558 -10.063 -4.892 1.00 0.65 H new ATOM 0 HA GLU A 78 -0.931 -10.058 -7.679 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -2.709 -10.314 -5.919 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -2.620 -8.589 -5.623 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -4.412 -8.929 -7.228 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -3.080 -8.208 -8.109 1.00 1.38 H new ATOM 1242 N SER A 79 -0.156 -7.156 -6.327 1.00 0.62 N ATOM 1243 CA SER A 79 0.229 -5.750 -6.616 1.00 0.62 C ATOM 1244 C SER A 79 1.413 -5.674 -7.620 1.00 0.68 C ATOM 1245 O SER A 79 1.646 -4.639 -8.205 1.00 0.74 O ATOM 1246 CB SER A 79 0.469 -4.951 -5.319 1.00 0.59 C ATOM 1247 OG SER A 79 -0.726 -4.968 -4.550 1.00 1.41 O ATOM 0 H SER A 79 -0.035 -7.441 -5.355 1.00 0.62 H new ATOM 0 HA SER A 79 -0.612 -5.266 -7.113 1.00 0.62 H new ATOM 0 HB2 SER A 79 1.291 -5.388 -4.752 1.00 0.59 H new ATOM 0 HB3 SER A 79 0.754 -3.925 -5.553 1.00 0.59 H new ATOM 0 HG SER A 79 -1.452 -4.557 -5.064 1.00 1.41 H new ATOM 1253 N ASN A 80 2.169 -6.746 -7.812 1.00 0.72 N ATOM 1254 CA ASN A 80 3.347 -6.722 -8.777 1.00 0.85 C ATOM 1255 C ASN A 80 4.480 -5.860 -8.218 1.00 0.84 C ATOM 1256 O ASN A 80 5.019 -4.976 -8.852 1.00 0.95 O ATOM 1257 CB ASN A 80 2.922 -6.186 -10.154 1.00 0.98 C ATOM 1258 CG ASN A 80 1.695 -6.955 -10.650 1.00 1.05 C ATOM 1259 OD1 ASN A 80 0.753 -6.365 -11.141 1.00 1.40 O ATOM 1260 ND2 ASN A 80 1.665 -8.255 -10.540 1.00 1.53 N ATOM 0 H ASN A 80 2.024 -7.640 -7.343 1.00 0.72 H new ATOM 0 HA ASN A 80 3.700 -7.746 -8.895 1.00 0.85 H new ATOM 0 HB2 ASN A 80 2.694 -5.122 -10.086 1.00 0.98 H new ATOM 0 HB3 ASN A 80 3.741 -6.292 -10.865 1.00 0.98 H new ATOM 0 HD21 ASN A 80 0.851 -8.776 -10.866 1.00 1.53 H new ATOM 0 HD22 ASN A 80 2.456 -8.750 -10.128 1.00 1.53 H new ATOM 1267 N LEU A 81 4.800 -6.154 -7.005 1.00 0.80 N ATOM 1268 CA LEU A 81 5.866 -5.436 -6.244 1.00 0.88 C ATOM 1269 C LEU A 81 7.257 -5.649 -6.848 1.00 1.17 C ATOM 1270 O LEU A 81 8.141 -4.855 -6.627 1.00 1.25 O ATOM 1271 CB LEU A 81 5.931 -5.916 -4.792 1.00 1.13 C ATOM 1272 CG LEU A 81 4.941 -7.052 -4.531 1.00 1.49 C ATOM 1273 CD1 LEU A 81 3.520 -6.538 -4.736 1.00 1.87 C ATOM 1274 CD2 LEU A 81 5.248 -8.244 -5.454 1.00 2.46 C ATOM 0 H LEU A 81 4.349 -6.899 -6.474 1.00 0.80 H new ATOM 0 HA LEU A 81 5.598 -4.381 -6.295 1.00 0.88 H new ATOM 0 HB2 LEU A 81 6.942 -6.254 -4.565 1.00 1.13 H new ATOM 0 HB3 LEU A 81 5.715 -5.083 -4.123 1.00 1.13 H new ATOM 0 HG LEU A 81 5.038 -7.399 -3.502 1.00 1.49 H new ATOM 0 HD11 LEU A 81 2.811 -7.345 -4.551 1.00 1.87 H new ATOM 0 HD12 LEU A 81 3.326 -5.719 -4.044 1.00 1.87 H new ATOM 0 HD13 LEU A 81 3.406 -6.183 -5.760 1.00 1.87 H new ATOM 0 HD21 LEU A 81 4.537 -9.047 -5.260 1.00 2.46 H new ATOM 0 HD22 LEU A 81 5.165 -7.930 -6.494 1.00 2.46 H new ATOM 0 HD23 LEU A 81 6.260 -8.601 -5.263 1.00 2.46 H new ATOM 1286 N THR A 82 7.507 -6.747 -7.502 1.00 1.41 N ATOM 1287 CA THR A 82 8.898 -7.042 -7.974 1.00 1.79 C ATOM 1288 C THR A 82 9.607 -5.810 -8.561 1.00 1.79 C ATOM 1289 O THR A 82 10.798 -5.664 -8.387 1.00 1.97 O ATOM 1290 CB THR A 82 8.837 -8.131 -9.049 1.00 2.11 C ATOM 1291 OG1 THR A 82 8.137 -9.258 -8.541 1.00 2.13 O ATOM 1292 CG2 THR A 82 10.256 -8.547 -9.446 1.00 2.54 C ATOM 0 H THR A 82 6.812 -7.457 -7.733 1.00 1.41 H new ATOM 0 HA THR A 82 9.471 -7.366 -7.105 1.00 1.79 H new ATOM 0 HB THR A 82 8.318 -7.743 -9.926 1.00 2.11 H new ATOM 0 HG1 THR A 82 8.096 -9.955 -9.229 1.00 2.13 H new ATOM 0 HG21 THR A 82 10.207 -9.322 -10.211 1.00 2.54 H new ATOM 0 HG22 THR A 82 10.792 -7.683 -9.838 1.00 2.54 H new ATOM 0 HG23 THR A 82 10.780 -8.933 -8.572 1.00 2.54 H new ATOM 1300 N GLU A 83 8.954 -4.935 -9.258 1.00 1.69 N ATOM 1301 CA GLU A 83 9.714 -3.766 -9.806 1.00 1.83 C ATOM 1302 C GLU A 83 8.774 -2.586 -10.044 1.00 1.73 C ATOM 1303 O GLU A 83 9.193 -1.448 -10.117 1.00 1.85 O ATOM 1304 CB GLU A 83 10.378 -4.180 -11.123 1.00 2.32 C ATOM 1305 CG GLU A 83 11.280 -3.055 -11.640 1.00 2.54 C ATOM 1306 CD GLU A 83 11.856 -3.449 -13.001 1.00 2.96 C ATOM 1307 OE1 GLU A 83 11.521 -4.522 -13.476 1.00 3.53 O ATOM 1308 OE2 GLU A 83 12.623 -2.672 -13.545 1.00 3.13 O ATOM 0 H GLU A 83 7.957 -4.965 -9.473 1.00 1.69 H new ATOM 0 HA GLU A 83 10.475 -3.459 -9.089 1.00 1.83 H new ATOM 0 HB2 GLU A 83 10.965 -5.086 -10.973 1.00 2.32 H new ATOM 0 HB3 GLU A 83 9.615 -4.414 -11.865 1.00 2.32 H new ATOM 0 HG2 GLU A 83 10.711 -2.129 -11.728 1.00 2.54 H new ATOM 0 HG3 GLU A 83 12.087 -2.867 -10.932 1.00 2.54 H new ATOM 1315 N TYR A 84 7.507 -2.836 -10.108 1.00 1.58 N ATOM 1316 CA TYR A 84 6.540 -1.723 -10.278 1.00 1.68 C ATOM 1317 C TYR A 84 6.681 -0.793 -9.075 1.00 1.53 C ATOM 1318 O TYR A 84 6.540 0.410 -9.156 1.00 1.85 O ATOM 1319 CB TYR A 84 5.128 -2.287 -10.323 1.00 1.54 C ATOM 1320 CG TYR A 84 4.140 -1.188 -10.633 1.00 1.85 C ATOM 1321 CD1 TYR A 84 3.893 -0.832 -11.965 1.00 2.50 C ATOM 1322 CD2 TYR A 84 3.464 -0.533 -9.599 1.00 2.10 C ATOM 1323 CE1 TYR A 84 2.971 0.179 -12.262 1.00 2.86 C ATOM 1324 CE2 TYR A 84 2.543 0.480 -9.894 1.00 2.45 C ATOM 1325 CZ TYR A 84 2.296 0.835 -11.227 1.00 2.63 C ATOM 1326 OH TYR A 84 1.387 1.831 -11.520 1.00 3.06 O ATOM 0 H TYR A 84 7.093 -3.766 -10.050 1.00 1.58 H new ATOM 0 HA TYR A 84 6.735 -1.181 -11.203 1.00 1.68 H new ATOM 0 HB2 TYR A 84 5.064 -3.068 -11.080 1.00 1.54 H new ATOM 0 HB3 TYR A 84 4.882 -2.749 -9.367 1.00 1.54 H new ATOM 0 HD1 TYR A 84 4.414 -1.338 -12.764 1.00 2.50 H new ATOM 0 HD2 TYR A 84 3.652 -0.809 -8.572 1.00 2.10 H new ATOM 0 HE1 TYR A 84 2.781 0.452 -13.289 1.00 2.86 H new ATOM 0 HE2 TYR A 84 2.023 0.987 -9.095 1.00 2.45 H new ATOM 0 HH TYR A 84 1.007 2.182 -10.688 1.00 3.06 H new ATOM 1336 N MET A 85 6.880 -1.404 -7.940 1.00 1.09 N ATOM 1337 CA MET A 85 6.950 -0.666 -6.657 1.00 1.02 C ATOM 1338 C MET A 85 8.409 -0.542 -6.169 1.00 0.89 C ATOM 1339 O MET A 85 9.295 -0.096 -6.871 1.00 1.10 O ATOM 1340 CB MET A 85 6.171 -1.510 -5.649 1.00 0.95 C ATOM 1341 CG MET A 85 4.727 -1.676 -6.141 1.00 1.24 C ATOM 1342 SD MET A 85 3.741 -2.546 -4.890 1.00 1.93 S ATOM 1343 CE MET A 85 3.635 -1.213 -3.681 1.00 2.45 C ATOM 0 H MET A 85 7.000 -2.413 -7.851 1.00 1.09 H new ATOM 0 HA MET A 85 6.547 0.340 -6.771 1.00 1.02 H new ATOM 0 HB2 MET A 85 6.643 -2.486 -5.532 1.00 0.95 H new ATOM 0 HB3 MET A 85 6.182 -1.031 -4.670 1.00 0.95 H new ATOM 0 HG2 MET A 85 4.289 -0.699 -6.346 1.00 1.24 H new ATOM 0 HG3 MET A 85 4.715 -2.233 -7.078 1.00 1.24 H new ATOM 0 HE1 MET A 85 4.205 -1.482 -2.792 1.00 2.45 H new ATOM 0 HE2 MET A 85 4.043 -0.298 -4.111 1.00 2.45 H new ATOM 0 HE3 MET A 85 2.592 -1.052 -3.408 1.00 2.45 H new ATOM 1353 N LYS A 86 8.627 -0.972 -4.956 1.00 0.69 N ATOM 1354 CA LYS A 86 9.957 -0.980 -4.272 1.00 0.66 C ATOM 1355 C LYS A 86 10.664 0.387 -4.242 1.00 0.77 C ATOM 1356 O LYS A 86 11.875 0.431 -4.168 1.00 0.83 O ATOM 1357 CB LYS A 86 10.912 -1.971 -4.918 1.00 0.81 C ATOM 1358 CG LYS A 86 10.369 -3.390 -4.810 1.00 0.90 C ATOM 1359 CD LYS A 86 11.429 -4.356 -5.362 1.00 1.28 C ATOM 1360 CE LYS A 86 10.904 -5.796 -5.370 1.00 1.33 C ATOM 1361 NZ LYS A 86 11.378 -6.514 -4.159 1.00 1.49 N ATOM 0 H LYS A 86 7.880 -1.345 -4.370 1.00 0.69 H new ATOM 0 HA LYS A 86 9.722 -1.267 -3.247 1.00 0.66 H new ATOM 0 HB2 LYS A 86 11.059 -1.711 -5.966 1.00 0.81 H new ATOM 0 HB3 LYS A 86 11.887 -1.912 -4.435 1.00 0.81 H new ATOM 0 HG2 LYS A 86 10.140 -3.631 -3.772 1.00 0.90 H new ATOM 0 HG3 LYS A 86 9.440 -3.485 -5.372 1.00 0.90 H new ATOM 0 HD2 LYS A 86 11.705 -4.060 -6.374 1.00 1.28 H new ATOM 0 HD3 LYS A 86 12.332 -4.297 -4.755 1.00 1.28 H new ATOM 0 HE2 LYS A 86 9.814 -5.795 -5.399 1.00 1.33 H new ATOM 0 HE3 LYS A 86 11.247 -6.312 -6.267 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 11.800 -7.423 -4.437 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 12.091 -5.936 -3.670 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 10.575 -6.686 -3.521 1.00 1.49 H new ATOM 1375 N GLU A 87 9.985 1.499 -4.290 1.00 0.95 N ATOM 1376 CA GLU A 87 10.772 2.789 -4.249 1.00 1.19 C ATOM 1377 C GLU A 87 11.472 2.951 -2.886 1.00 1.21 C ATOM 1378 O GLU A 87 12.609 3.369 -2.797 1.00 1.60 O ATOM 1379 CB GLU A 87 9.837 3.970 -4.488 1.00 1.64 C ATOM 1380 CG GLU A 87 9.280 3.905 -5.912 1.00 1.85 C ATOM 1381 CD GLU A 87 10.409 4.019 -6.945 1.00 2.10 C ATOM 1382 OE1 GLU A 87 11.484 4.464 -6.578 1.00 2.30 O ATOM 1383 OE2 GLU A 87 10.175 3.660 -8.087 1.00 2.69 O ATOM 0 H GLU A 87 8.971 1.585 -4.353 1.00 0.95 H new ATOM 0 HA GLU A 87 11.530 2.760 -5.031 1.00 1.19 H new ATOM 0 HB2 GLU A 87 9.020 3.952 -3.766 1.00 1.64 H new ATOM 0 HB3 GLU A 87 10.373 4.907 -4.339 1.00 1.64 H new ATOM 0 HG2 GLU A 87 8.744 2.967 -6.055 1.00 1.85 H new ATOM 0 HG3 GLU A 87 8.560 4.710 -6.063 1.00 1.85 H new