USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 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 58 ASN : amide:sc= 0.395! C(o=0.73!,f=-14!) USER MOD Set 1.2: A 81 THR OG1 : rot -5:sc= 0.339 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 50:sc= 0.812 USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= -0.2 (180deg=-1.22) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.499 K(o=-0.5,f=-1.1) USER MOD Single : A 19 TYR OH : rot -133:sc= 0.457 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 1.1 (180deg=-0.839!) USER MOD Single : A 32 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.93) USER MOD Single : A 35 LYS NZ :NH3+ -122:sc= -0.782 (180deg=-2.58!) USER MOD Single : A 41 SER OG : rot -104:sc= 0.419 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.073) USER MOD Single : A 51 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.83) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.06 F(o=-1.7!,f=-1.1) USER MOD Single : A 73 MET CE :methyl -154:sc= -3.2 (180deg=-3.4) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc=-0.00429 (180deg=-0.605) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 37:sc= 0.985 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.085 -6.157 -23.962 1.00 0.00 N ATOM 2 CA GLY A 1 -4.516 -6.367 -23.841 1.00 0.00 C ATOM 3 C GLY A 1 -5.024 -6.109 -22.436 1.00 0.00 C ATOM 4 O GLY A 1 -4.521 -6.687 -21.472 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.788 -6.346 -24.941 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.856 -5.173 -23.715 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.584 -6.801 -23.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.037 -5.711 -24.538 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.755 -7.391 -24.128 1.00 0.00 H new ATOM 8 N SER A 2 -6.022 -5.239 -22.319 1.00 0.00 N ATOM 9 CA SER A 2 -6.594 -4.903 -21.021 1.00 0.00 C ATOM 10 C SER A 2 -7.664 -5.914 -20.620 1.00 0.00 C ATOM 11 O SER A 2 -8.653 -6.102 -21.328 1.00 0.00 O ATOM 12 CB SER A 2 -7.193 -3.495 -21.054 1.00 0.00 C ATOM 13 OG SER A 2 -7.171 -2.901 -19.767 1.00 0.00 O ATOM 0 H SER A 2 -6.451 -4.754 -23.107 1.00 0.00 H new ATOM 0 HA SER A 2 -5.795 -4.934 -20.280 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.633 -2.875 -21.754 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.219 -3.541 -21.419 1.00 0.00 H new ATOM 0 HG SER A 2 -7.557 -2.002 -19.815 1.00 0.00 H new ATOM 19 N SER A 3 -7.457 -6.563 -19.479 1.00 0.00 N ATOM 20 CA SER A 3 -8.401 -7.559 -18.984 1.00 0.00 C ATOM 21 C SER A 3 -8.061 -7.965 -17.553 1.00 0.00 C ATOM 22 O SER A 3 -6.910 -8.262 -17.236 1.00 0.00 O ATOM 23 CB SER A 3 -8.396 -8.791 -19.890 1.00 0.00 C ATOM 24 OG SER A 3 -7.237 -9.578 -19.676 1.00 0.00 O ATOM 0 H SER A 3 -6.644 -6.417 -18.880 1.00 0.00 H new ATOM 0 HA SER A 3 -9.397 -7.115 -18.991 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.286 -9.390 -19.699 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.440 -8.479 -20.933 1.00 0.00 H new ATOM 0 HG SER A 3 -7.259 -10.360 -20.266 1.00 0.00 H new ATOM 30 N GLY A 4 -9.074 -7.974 -16.691 1.00 0.00 N ATOM 31 CA GLY A 4 -8.864 -8.344 -15.304 1.00 0.00 C ATOM 32 C GLY A 4 -9.572 -7.411 -14.341 1.00 0.00 C ATOM 33 O GLY A 4 -10.621 -7.751 -13.794 1.00 0.00 O ATOM 0 H GLY A 4 -10.036 -7.732 -16.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.219 -9.362 -15.145 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.796 -8.341 -15.088 1.00 0.00 H new ATOM 37 N SER A 5 -8.996 -6.231 -14.132 1.00 0.00 N ATOM 38 CA SER A 5 -9.575 -5.248 -13.224 1.00 0.00 C ATOM 39 C SER A 5 -9.573 -5.766 -11.789 1.00 0.00 C ATOM 40 O SER A 5 -10.534 -5.571 -11.046 1.00 0.00 O ATOM 41 CB SER A 5 -11.003 -4.906 -13.653 1.00 0.00 C ATOM 42 OG SER A 5 -11.032 -4.407 -14.979 1.00 0.00 O ATOM 0 H SER A 5 -8.129 -5.933 -14.579 1.00 0.00 H new ATOM 0 HA SER A 5 -8.964 -4.346 -13.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.630 -5.795 -13.582 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.423 -4.165 -12.973 1.00 0.00 H new ATOM 0 HG SER A 5 -11.956 -4.198 -15.230 1.00 0.00 H new ATOM 48 N SER A 6 -8.485 -6.427 -11.407 1.00 0.00 N ATOM 49 CA SER A 6 -8.358 -6.977 -10.062 1.00 0.00 C ATOM 50 C SER A 6 -7.274 -6.246 -9.277 1.00 0.00 C ATOM 51 O SER A 6 -6.135 -6.704 -9.194 1.00 0.00 O ATOM 52 CB SER A 6 -8.035 -8.471 -10.128 1.00 0.00 C ATOM 53 OG SER A 6 -6.815 -8.700 -10.811 1.00 0.00 O ATOM 0 H SER A 6 -7.679 -6.595 -12.009 1.00 0.00 H new ATOM 0 HA SER A 6 -9.310 -6.840 -9.549 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.972 -8.877 -9.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.843 -8.999 -10.634 1.00 0.00 H new ATOM 0 HG SER A 6 -6.119 -8.118 -10.441 1.00 0.00 H new ATOM 59 N GLY A 7 -7.638 -5.104 -8.700 1.00 0.00 N ATOM 60 CA GLY A 7 -6.686 -4.327 -7.928 1.00 0.00 C ATOM 61 C GLY A 7 -6.305 -3.030 -8.614 1.00 0.00 C ATOM 62 O GLY A 7 -5.911 -3.030 -9.781 1.00 0.00 O ATOM 0 H GLY A 7 -8.575 -4.704 -8.754 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.111 -4.105 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.789 -4.922 -7.758 1.00 0.00 H new ATOM 66 N ARG A 8 -6.425 -1.922 -7.890 1.00 0.00 N ATOM 67 CA ARG A 8 -6.093 -0.612 -8.438 1.00 0.00 C ATOM 68 C ARG A 8 -4.636 -0.257 -8.153 1.00 0.00 C ATOM 69 O ARG A 8 -4.053 -0.722 -7.174 1.00 0.00 O ATOM 70 CB ARG A 8 -7.014 0.459 -7.850 1.00 0.00 C ATOM 71 CG ARG A 8 -6.917 0.582 -6.338 1.00 0.00 C ATOM 72 CD ARG A 8 -8.143 1.268 -5.755 1.00 0.00 C ATOM 73 NE ARG A 8 -8.424 0.822 -4.393 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.434 1.282 -3.663 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.254 2.197 -4.162 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.625 0.828 -2.431 1.00 0.00 N ATOM 0 H ARG A 8 -6.749 -1.905 -6.923 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.235 -0.651 -9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.772 1.422 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.044 0.230 -8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.809 -0.409 -5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.023 1.147 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.991 2.347 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.007 1.066 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.811 0.119 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.110 2.549 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.029 2.549 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.996 0.125 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.401 1.182 -1.872 1.00 0.00 H new ATOM 90 N VAL A 9 -4.054 0.569 -9.016 1.00 0.00 N ATOM 91 CA VAL A 9 -2.666 0.987 -8.858 1.00 0.00 C ATOM 92 C VAL A 9 -2.572 2.298 -8.085 1.00 0.00 C ATOM 93 O VAL A 9 -3.327 3.237 -8.340 1.00 0.00 O ATOM 94 CB VAL A 9 -1.972 1.157 -10.222 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.586 1.758 -10.045 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.894 -0.177 -10.949 1.00 0.00 C ATOM 0 H VAL A 9 -4.522 0.962 -9.832 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.160 0.201 -8.297 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.564 1.842 -10.829 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.111 1.871 -11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.671 2.734 -9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.019 1.100 -9.421 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.401 -0.039 -11.911 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.325 -0.886 -10.348 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.901 -0.563 -11.110 1.00 0.00 H new ATOM 106 N VAL A 10 -1.639 2.356 -7.140 1.00 0.00 N ATOM 107 CA VAL A 10 -1.444 3.553 -6.331 1.00 0.00 C ATOM 108 C VAL A 10 -0.026 4.092 -6.479 1.00 0.00 C ATOM 109 O VAL A 10 0.916 3.335 -6.712 1.00 0.00 O ATOM 110 CB VAL A 10 -1.723 3.275 -4.842 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.062 4.566 -4.112 1.00 0.00 C ATOM 112 CG2 VAL A 10 -2.843 2.257 -4.690 1.00 0.00 C ATOM 0 H VAL A 10 -1.006 1.588 -6.916 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.152 4.298 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.821 2.858 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.256 4.350 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.225 5.259 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.949 5.015 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.026 2.073 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.751 2.643 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.556 1.325 -5.176 1.00 0.00 H new ATOM 122 N VAL A 11 0.119 5.406 -6.343 1.00 0.00 N ATOM 123 CA VAL A 11 1.423 6.048 -6.461 1.00 0.00 C ATOM 124 C VAL A 11 1.570 7.183 -5.454 1.00 0.00 C ATOM 125 O VAL A 11 0.710 8.060 -5.363 1.00 0.00 O ATOM 126 CB VAL A 11 1.651 6.601 -7.880 1.00 0.00 C ATOM 127 CG1 VAL A 11 3.046 7.194 -8.005 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.430 5.512 -8.918 1.00 0.00 C ATOM 0 H VAL A 11 -0.651 6.047 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 11 2.172 5.284 -6.254 1.00 0.00 H new ATOM 0 HB VAL A 11 0.928 7.396 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.188 7.580 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.162 8.006 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.789 6.422 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.595 5.921 -9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.128 4.694 -8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.408 5.140 -8.843 1.00 0.00 H new ATOM 138 N ILE A 12 2.664 7.162 -4.701 1.00 0.00 N ATOM 139 CA ILE A 12 2.924 8.191 -3.702 1.00 0.00 C ATOM 140 C ILE A 12 4.385 8.626 -3.729 1.00 0.00 C ATOM 141 O ILE A 12 5.259 7.882 -4.175 1.00 0.00 O ATOM 142 CB ILE A 12 2.572 7.702 -2.285 1.00 0.00 C ATOM 143 CG1 ILE A 12 1.212 7.001 -2.287 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.571 8.867 -1.307 1.00 0.00 C ATOM 145 CD1 ILE A 12 1.063 5.967 -1.193 1.00 0.00 C ATOM 0 H ILE A 12 3.385 6.443 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 12 2.289 9.041 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 12 3.329 6.986 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.427 7.749 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.062 6.520 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.320 8.505 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.559 9.327 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.833 9.605 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.075 5.511 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.826 5.198 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.181 6.446 -0.221 1.00 0.00 H new ATOM 157 N LYS A 13 4.645 9.837 -3.246 1.00 0.00 N ATOM 158 CA LYS A 13 6.001 10.372 -3.211 1.00 0.00 C ATOM 159 C LYS A 13 6.280 11.059 -1.878 1.00 0.00 C ATOM 160 O LYS A 13 5.682 12.088 -1.560 1.00 0.00 O ATOM 161 CB LYS A 13 6.211 11.361 -4.360 1.00 0.00 C ATOM 162 CG LYS A 13 5.465 10.986 -5.629 1.00 0.00 C ATOM 163 CD LYS A 13 5.431 12.140 -6.617 1.00 0.00 C ATOM 164 CE LYS A 13 4.210 13.021 -6.405 1.00 0.00 C ATOM 165 NZ LYS A 13 4.437 14.035 -5.337 1.00 0.00 N ATOM 0 H LYS A 13 3.934 10.466 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 13 6.696 9.540 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.890 12.352 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.276 11.428 -4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.944 10.123 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.446 10.689 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.336 12.739 -6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.426 11.749 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.960 13.526 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.355 12.399 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.847 14.871 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.183 13.629 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.439 14.313 -5.330 1.00 0.00 H new ATOM 179 N LYS A 14 7.192 10.485 -1.101 1.00 0.00 N ATOM 180 CA LYS A 14 7.553 11.042 0.197 1.00 0.00 C ATOM 181 C LYS A 14 7.500 12.567 0.168 1.00 0.00 C ATOM 182 O LYS A 14 8.058 13.200 -0.726 1.00 0.00 O ATOM 183 CB LYS A 14 8.954 10.579 0.602 1.00 0.00 C ATOM 184 CG LYS A 14 9.147 10.465 2.104 1.00 0.00 C ATOM 185 CD LYS A 14 10.323 9.567 2.450 1.00 0.00 C ATOM 186 CE LYS A 14 9.912 8.103 2.492 1.00 0.00 C ATOM 187 NZ LYS A 14 10.796 7.305 3.387 1.00 0.00 N ATOM 0 H LYS A 14 7.695 9.633 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 14 6.832 10.684 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.154 9.610 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.688 11.278 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.309 11.456 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.239 10.068 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.115 9.703 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.733 9.859 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.881 8.025 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.944 7.687 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.484 6.313 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.776 7.359 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.746 7.685 4.354 1.00 0.00 H new ATOM 201 N GLY A 15 6.824 13.149 1.154 1.00 0.00 N ATOM 202 CA GLY A 15 6.711 14.594 1.223 1.00 0.00 C ATOM 203 C GLY A 15 6.359 15.082 2.615 1.00 0.00 C ATOM 204 O GLY A 15 7.054 15.928 3.177 1.00 0.00 O ATOM 0 H GLY A 15 6.353 12.646 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.653 15.044 0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.949 14.930 0.520 1.00 0.00 H new ATOM 208 N SER A 16 5.276 14.549 3.171 1.00 0.00 N ATOM 209 CA SER A 16 4.829 14.940 4.503 1.00 0.00 C ATOM 210 C SER A 16 5.331 13.955 5.554 1.00 0.00 C ATOM 211 O SER A 16 4.668 12.965 5.860 1.00 0.00 O ATOM 212 CB SER A 16 3.302 15.018 4.549 1.00 0.00 C ATOM 213 OG SER A 16 2.828 16.148 3.837 1.00 0.00 O ATOM 0 H SER A 16 4.692 13.845 2.720 1.00 0.00 H new ATOM 0 HA SER A 16 5.243 15.924 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.875 14.110 4.123 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.968 15.071 5.585 1.00 0.00 H new ATOM 0 HG SER A 16 1.849 16.175 3.880 1.00 0.00 H new ATOM 219 N ASN A 17 6.508 14.236 6.104 1.00 0.00 N ATOM 220 CA ASN A 17 7.101 13.375 7.122 1.00 0.00 C ATOM 221 C ASN A 17 6.801 11.907 6.834 1.00 0.00 C ATOM 222 O ASN A 17 6.531 11.128 7.747 1.00 0.00 O ATOM 223 CB ASN A 17 6.575 13.753 8.508 1.00 0.00 C ATOM 224 CG ASN A 17 7.268 12.986 9.618 1.00 0.00 C ATOM 225 OD1 ASN A 17 8.464 12.704 9.539 1.00 0.00 O ATOM 226 ND2 ASN A 17 6.518 12.645 10.660 1.00 0.00 N ATOM 0 H ASN A 17 7.070 15.052 5.862 1.00 0.00 H new ATOM 0 HA ASN A 17 8.181 13.518 7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.714 14.822 8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.503 13.561 8.552 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.929 12.128 11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.531 12.900 10.683 1.00 0.00 H new ATOM 233 N GLY A 18 6.853 11.537 5.558 1.00 0.00 N ATOM 234 CA GLY A 18 6.585 10.164 5.173 1.00 0.00 C ATOM 235 C GLY A 18 5.644 10.067 3.989 1.00 0.00 C ATOM 236 O GLY A 18 5.706 10.882 3.068 1.00 0.00 O ATOM 0 H GLY A 18 7.076 12.163 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.525 9.669 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.154 9.630 6.020 1.00 0.00 H new ATOM 240 N TYR A 19 4.770 9.066 4.010 1.00 0.00 N ATOM 241 CA TYR A 19 3.814 8.863 2.928 1.00 0.00 C ATOM 242 C TYR A 19 2.398 9.204 3.381 1.00 0.00 C ATOM 243 O TYR A 19 1.702 9.991 2.741 1.00 0.00 O ATOM 244 CB TYR A 19 3.870 7.416 2.436 1.00 0.00 C ATOM 245 CG TYR A 19 5.158 7.067 1.724 1.00 0.00 C ATOM 246 CD1 TYR A 19 6.288 6.690 2.439 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.245 7.117 0.339 1.00 0.00 C ATOM 248 CE1 TYR A 19 7.467 6.371 1.793 1.00 0.00 C ATOM 249 CE2 TYR A 19 6.419 6.798 -0.315 1.00 0.00 C ATOM 250 CZ TYR A 19 7.528 6.426 0.416 1.00 0.00 C ATOM 251 OH TYR A 19 8.700 6.110 -0.231 1.00 0.00 O ATOM 0 H TYR A 19 4.704 8.383 4.765 1.00 0.00 H new ATOM 0 HA TYR A 19 4.084 9.529 2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.742 6.747 3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.032 7.238 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.244 6.646 3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.380 7.410 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.337 6.080 2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.468 6.840 -1.393 1.00 0.00 H new ATOM 0 HH TYR A 19 8.899 6.796 -0.902 1.00 0.00 H new ATOM 261 N GLY A 20 1.978 8.605 4.492 1.00 0.00 N ATOM 262 CA GLY A 20 0.648 8.857 5.013 1.00 0.00 C ATOM 263 C GLY A 20 -0.207 7.606 5.050 1.00 0.00 C ATOM 264 O GLY A 20 -1.419 7.668 4.844 1.00 0.00 O ATOM 0 H GLY A 20 2.536 7.950 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.727 9.269 6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.157 9.611 4.398 1.00 0.00 H new ATOM 268 N PHE A 21 0.425 6.467 5.311 1.00 0.00 N ATOM 269 CA PHE A 21 -0.286 5.195 5.371 1.00 0.00 C ATOM 270 C PHE A 21 0.508 4.166 6.171 1.00 0.00 C ATOM 271 O PHE A 21 1.736 4.224 6.233 1.00 0.00 O ATOM 272 CB PHE A 21 -0.550 4.667 3.959 1.00 0.00 C ATOM 273 CG PHE A 21 0.650 4.022 3.326 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.621 4.792 2.707 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.806 2.645 3.350 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.726 4.202 2.124 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.910 2.050 2.769 1.00 0.00 C ATOM 278 CZ PHE A 21 2.870 2.829 2.154 1.00 0.00 C ATOM 0 H PHE A 21 1.428 6.398 5.484 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.239 5.363 5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.364 3.943 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.885 5.491 3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.513 5.866 2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.057 2.031 3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.476 4.814 1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.022 0.976 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.732 2.365 1.697 1.00 0.00 H new ATOM 288 N TYR A 22 -0.203 3.224 6.782 1.00 0.00 N ATOM 289 CA TYR A 22 0.434 2.184 7.581 1.00 0.00 C ATOM 290 C TYR A 22 0.078 0.797 7.052 1.00 0.00 C ATOM 291 O TYR A 22 -0.765 0.655 6.166 1.00 0.00 O ATOM 292 CB TYR A 22 0.012 2.307 9.046 1.00 0.00 C ATOM 293 CG TYR A 22 0.460 3.595 9.699 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.227 4.783 9.479 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.569 3.625 10.534 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.178 5.963 10.072 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.981 4.800 11.133 1.00 0.00 C ATOM 298 CZ TYR A 22 1.282 5.966 10.899 1.00 0.00 C ATOM 299 OH TYR A 22 1.690 7.139 11.492 1.00 0.00 O ATOM 0 H TYR A 22 -1.220 3.160 6.739 1.00 0.00 H new ATOM 0 HA TYR A 22 1.514 2.315 7.509 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.074 2.236 9.110 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.420 1.465 9.605 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.093 4.784 8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.119 2.714 10.718 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.366 6.878 9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.845 4.806 11.781 1.00 0.00 H new ATOM 0 HH TYR A 22 2.482 6.968 12.044 1.00 0.00 H new ATOM 309 N LEU A 23 0.727 -0.223 7.603 1.00 0.00 N ATOM 310 CA LEU A 23 0.480 -1.599 7.189 1.00 0.00 C ATOM 311 C LEU A 23 0.409 -2.527 8.398 1.00 0.00 C ATOM 312 O LEU A 23 1.249 -2.458 9.296 1.00 0.00 O ATOM 313 CB LEU A 23 1.579 -2.070 6.235 1.00 0.00 C ATOM 314 CG LEU A 23 1.671 -1.330 4.900 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.920 -1.750 4.141 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.425 -1.584 4.063 1.00 0.00 C ATOM 0 H LEU A 23 1.428 -0.123 8.337 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.479 -1.630 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.538 -1.979 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.425 -3.130 6.031 1.00 0.00 H new ATOM 0 HG LEU A 23 1.737 -0.261 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.968 -1.213 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.803 -1.516 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.885 -2.822 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.507 -1.050 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.328 -2.652 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.454 -1.232 4.603 1.00 0.00 H new ATOM 328 N ARG A 24 -0.597 -3.395 8.413 1.00 0.00 N ATOM 329 CA ARG A 24 -0.777 -4.338 9.511 1.00 0.00 C ATOM 330 C ARG A 24 -1.001 -5.751 8.983 1.00 0.00 C ATOM 331 O ARG A 24 -1.767 -5.959 8.042 1.00 0.00 O ATOM 332 CB ARG A 24 -1.959 -3.915 10.385 1.00 0.00 C ATOM 333 CG ARG A 24 -1.831 -4.353 11.835 1.00 0.00 C ATOM 334 CD ARG A 24 -3.135 -4.159 12.593 1.00 0.00 C ATOM 335 NE ARG A 24 -3.117 -4.826 13.892 1.00 0.00 N ATOM 336 CZ ARG A 24 -4.145 -4.824 14.733 1.00 0.00 C ATOM 337 NH1 ARG A 24 -5.267 -4.194 14.413 1.00 0.00 N ATOM 338 NH2 ARG A 24 -4.053 -5.453 15.898 1.00 0.00 N ATOM 0 H ARG A 24 -1.300 -3.465 7.677 1.00 0.00 H new ATOM 0 HA ARG A 24 0.132 -4.334 10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.057 -2.830 10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.876 -4.331 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.538 -5.402 11.875 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.039 -3.783 12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.317 -3.094 12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.962 -4.547 11.998 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.269 -5.320 14.169 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.342 -3.709 13.519 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.055 -4.194 15.061 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.192 -5.939 16.149 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.843 -5.450 16.543 1.00 0.00 H new ATOM 352 N ALA A 25 -0.327 -6.720 9.594 1.00 0.00 N ATOM 353 CA ALA A 25 -0.454 -8.114 9.187 1.00 0.00 C ATOM 354 C ALA A 25 -1.896 -8.593 9.312 1.00 0.00 C ATOM 355 O ALA A 25 -2.387 -8.831 10.414 1.00 0.00 O ATOM 356 CB ALA A 25 0.471 -8.992 10.016 1.00 0.00 C ATOM 0 H ALA A 25 0.313 -6.565 10.373 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.164 -8.189 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.366 -10.030 9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.503 -8.672 9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.208 -8.904 11.070 1.00 0.00 H new ATOM 362 N GLY A 26 -2.569 -8.733 8.174 1.00 0.00 N ATOM 363 CA GLY A 26 -3.949 -9.183 8.180 1.00 0.00 C ATOM 364 C GLY A 26 -4.076 -10.661 8.489 1.00 0.00 C ATOM 365 O GLY A 26 -3.130 -11.305 8.944 1.00 0.00 O ATOM 0 H GLY A 26 -2.184 -8.543 7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.511 -8.611 8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.399 -8.978 7.208 1.00 0.00 H new ATOM 369 N PRO A 27 -5.269 -11.222 8.241 1.00 0.00 N ATOM 370 CA PRO A 27 -5.544 -12.640 8.489 1.00 0.00 C ATOM 371 C PRO A 27 -4.804 -13.553 7.518 1.00 0.00 C ATOM 372 O PRO A 27 -3.898 -13.116 6.809 1.00 0.00 O ATOM 373 CB PRO A 27 -7.056 -12.750 8.279 1.00 0.00 C ATOM 374 CG PRO A 27 -7.393 -11.627 7.359 1.00 0.00 C ATOM 375 CD PRO A 27 -6.441 -10.514 7.698 1.00 0.00 C ATOM 0 HA PRO A 27 -5.213 -12.952 9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.326 -13.712 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.594 -12.664 9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.284 -11.930 6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.427 -11.310 7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.182 -9.924 6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.869 -9.827 8.428 1.00 0.00 H new ATOM 383 N GLU A 28 -5.195 -14.823 7.491 1.00 0.00 N ATOM 384 CA GLU A 28 -4.567 -15.797 6.607 1.00 0.00 C ATOM 385 C GLU A 28 -4.475 -15.258 5.182 1.00 0.00 C ATOM 386 O GLU A 28 -3.687 -15.748 4.373 1.00 0.00 O ATOM 387 CB GLU A 28 -5.353 -17.110 6.617 1.00 0.00 C ATOM 388 CG GLU A 28 -6.808 -16.952 6.210 1.00 0.00 C ATOM 389 CD GLU A 28 -7.619 -18.212 6.441 1.00 0.00 C ATOM 390 OE1 GLU A 28 -8.104 -18.405 7.576 1.00 0.00 O ATOM 391 OE2 GLU A 28 -7.768 -19.006 5.489 1.00 0.00 O ATOM 0 H GLU A 28 -5.944 -15.201 8.071 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.557 -15.984 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.871 -17.817 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.309 -17.542 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.252 -16.131 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.859 -16.680 5.156 1.00 0.00 H new ATOM 398 N GLN A 29 -5.286 -14.249 4.884 1.00 0.00 N ATOM 399 CA GLN A 29 -5.297 -13.644 3.557 1.00 0.00 C ATOM 400 C GLN A 29 -3.940 -13.033 3.226 1.00 0.00 C ATOM 401 O GLN A 29 -3.377 -12.277 4.018 1.00 0.00 O ATOM 402 CB GLN A 29 -6.386 -12.574 3.470 1.00 0.00 C ATOM 403 CG GLN A 29 -6.953 -12.395 2.071 1.00 0.00 C ATOM 404 CD GLN A 29 -8.063 -13.380 1.761 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.820 -14.575 1.595 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.292 -12.882 1.682 1.00 0.00 N ATOM 0 H GLN A 29 -5.944 -13.833 5.543 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.509 -14.428 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.196 -12.836 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.977 -11.623 3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.334 -11.379 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.153 -12.514 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.448 -11.884 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.079 -13.497 1.477 1.00 0.00 H new ATOM 415 N LYS A 30 -3.417 -13.365 2.050 1.00 0.00 N ATOM 416 CA LYS A 30 -2.126 -12.849 1.613 1.00 0.00 C ATOM 417 C LYS A 30 -2.208 -11.355 1.319 1.00 0.00 C ATOM 418 O LYS A 30 -3.096 -10.902 0.598 1.00 0.00 O ATOM 419 CB LYS A 30 -1.650 -13.599 0.366 1.00 0.00 C ATOM 420 CG LYS A 30 -1.781 -15.108 0.477 1.00 0.00 C ATOM 421 CD LYS A 30 -0.733 -15.692 1.410 1.00 0.00 C ATOM 422 CE LYS A 30 -1.237 -15.754 2.844 1.00 0.00 C ATOM 423 NZ LYS A 30 -1.919 -17.045 3.137 1.00 0.00 N ATOM 0 H LYS A 30 -3.869 -13.990 1.382 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.409 -13.004 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.223 -13.255 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.607 -13.346 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.776 -15.362 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.680 -15.557 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.463 -16.693 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.172 -15.086 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.400 -15.622 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.928 -14.930 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.718 -16.877 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.270 -17.461 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.246 -17.700 3.584 1.00 0.00 H new ATOM 437 N GLY A 31 -1.276 -10.593 1.883 1.00 0.00 N ATOM 438 CA GLY A 31 -1.260 -9.158 1.669 1.00 0.00 C ATOM 439 C GLY A 31 -1.298 -8.377 2.968 1.00 0.00 C ATOM 440 O GLY A 31 -1.544 -8.944 4.032 1.00 0.00 O ATOM 0 H GLY A 31 -0.531 -10.944 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.363 -8.887 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.115 -8.876 1.054 1.00 0.00 H new ATOM 444 N GLN A 32 -1.052 -7.074 2.880 1.00 0.00 N ATOM 445 CA GLN A 32 -1.057 -6.216 4.059 1.00 0.00 C ATOM 446 C GLN A 32 -2.202 -5.210 3.996 1.00 0.00 C ATOM 447 O GLN A 32 -2.479 -4.636 2.943 1.00 0.00 O ATOM 448 CB GLN A 32 0.278 -5.479 4.185 1.00 0.00 C ATOM 449 CG GLN A 32 1.488 -6.396 4.111 1.00 0.00 C ATOM 450 CD GLN A 32 1.363 -7.601 5.023 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.241 -8.735 4.559 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.394 -7.361 6.329 1.00 0.00 N ATOM 0 H GLN A 32 -0.847 -6.590 2.006 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.200 -6.847 4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.348 -4.734 3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.298 -4.940 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.620 -6.735 3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.382 -5.834 4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.497 -6.405 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.315 -8.133 6.991 1.00 0.00 H new ATOM 461 N ILE A 33 -2.864 -5.003 5.129 1.00 0.00 N ATOM 462 CA ILE A 33 -3.979 -4.067 5.202 1.00 0.00 C ATOM 463 C ILE A 33 -3.507 -2.684 5.639 1.00 0.00 C ATOM 464 O ILE A 33 -2.592 -2.558 6.454 1.00 0.00 O ATOM 465 CB ILE A 33 -5.064 -4.559 6.177 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.298 -6.060 5.999 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.358 -3.787 5.964 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.099 -6.684 7.120 1.00 0.00 C ATOM 0 H ILE A 33 -2.648 -5.471 6.009 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.405 -4.004 4.201 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.722 -4.382 7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.816 -6.229 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.334 -6.564 5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.115 -4.147 6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.181 -2.725 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.706 -3.935 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.226 -7.749 6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.572 -6.546 8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.077 -6.207 7.178 1.00 0.00 H new ATOM 480 N ILE A 34 -4.139 -1.650 5.095 1.00 0.00 N ATOM 481 CA ILE A 34 -3.786 -0.276 5.431 1.00 0.00 C ATOM 482 C ILE A 34 -4.710 0.280 6.509 1.00 0.00 C ATOM 483 O ILE A 34 -5.845 -0.171 6.664 1.00 0.00 O ATOM 484 CB ILE A 34 -3.849 0.640 4.195 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.865 0.159 3.126 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.552 2.079 4.586 1.00 0.00 C ATOM 487 CD1 ILE A 34 -3.080 0.800 1.774 1.00 0.00 C ATOM 0 H ILE A 34 -4.898 -1.737 4.420 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.763 -0.296 5.806 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.856 0.597 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.848 0.367 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.952 -0.923 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.600 2.714 3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.288 2.417 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.555 2.139 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.347 0.412 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.085 0.571 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.964 1.880 1.861 1.00 0.00 H new ATOM 499 N LYS A 35 -4.217 1.265 7.252 1.00 0.00 N ATOM 500 CA LYS A 35 -4.998 1.888 8.315 1.00 0.00 C ATOM 501 C LYS A 35 -4.252 3.075 8.914 1.00 0.00 C ATOM 502 O LYS A 35 -3.035 3.193 8.770 1.00 0.00 O ATOM 503 CB LYS A 35 -5.314 0.866 9.409 1.00 0.00 C ATOM 504 CG LYS A 35 -4.079 0.240 10.032 1.00 0.00 C ATOM 505 CD LYS A 35 -4.447 -0.804 11.073 1.00 0.00 C ATOM 506 CE LYS A 35 -5.115 -2.014 10.437 1.00 0.00 C ATOM 507 NZ LYS A 35 -6.590 -1.840 10.329 1.00 0.00 N ATOM 0 H LYS A 35 -3.279 1.650 7.138 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.931 2.249 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.898 1.352 10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.938 0.077 8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.471 -0.220 9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.470 1.017 10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.550 -1.120 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.117 -0.363 11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.695 -2.181 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.896 -2.903 11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.069 -2.611 10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.864 -0.928 10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.869 -1.859 9.327 1.00 0.00 H new ATOM 521 N ASP A 36 -4.988 3.952 9.587 1.00 0.00 N ATOM 522 CA ASP A 36 -4.395 5.130 10.211 1.00 0.00 C ATOM 523 C ASP A 36 -3.840 6.082 9.157 1.00 0.00 C ATOM 524 O ASP A 36 -2.724 6.586 9.288 1.00 0.00 O ATOM 525 CB ASP A 36 -3.285 4.716 11.178 1.00 0.00 C ATOM 526 CG ASP A 36 -3.674 3.525 12.032 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.865 3.418 12.393 1.00 0.00 O ATOM 528 OD2 ASP A 36 -2.788 2.700 12.338 1.00 0.00 O ATOM 0 H ASP A 36 -5.997 3.870 9.715 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.176 5.649 10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.385 4.475 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.038 5.558 11.825 1.00 0.00 H new ATOM 533 N ILE A 37 -4.625 6.322 8.112 1.00 0.00 N ATOM 534 CA ILE A 37 -4.211 7.214 7.035 1.00 0.00 C ATOM 535 C ILE A 37 -4.177 8.664 7.505 1.00 0.00 C ATOM 536 O ILE A 37 -5.086 9.124 8.196 1.00 0.00 O ATOM 537 CB ILE A 37 -5.150 7.102 5.820 1.00 0.00 C ATOM 538 CG1 ILE A 37 -4.939 5.765 5.106 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.918 8.261 4.863 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.970 5.482 4.036 1.00 0.00 C ATOM 0 H ILE A 37 -5.551 5.912 7.988 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.208 6.907 6.739 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.181 7.146 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.947 5.756 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.961 4.962 5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.589 8.168 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.113 9.202 5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.885 8.245 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.758 4.518 3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.963 5.458 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.933 6.265 3.279 1.00 0.00 H new ATOM 552 N GLU A 38 -3.124 9.380 7.123 1.00 0.00 N ATOM 553 CA GLU A 38 -2.973 10.779 7.505 1.00 0.00 C ATOM 554 C GLU A 38 -3.690 11.693 6.516 1.00 0.00 C ATOM 555 O GLU A 38 -3.671 11.476 5.305 1.00 0.00 O ATOM 556 CB GLU A 38 -1.491 11.153 7.580 1.00 0.00 C ATOM 557 CG GLU A 38 -0.737 10.434 8.687 1.00 0.00 C ATOM 558 CD GLU A 38 0.738 10.785 8.710 1.00 0.00 C ATOM 559 OE1 GLU A 38 1.062 11.987 8.802 1.00 0.00 O ATOM 560 OE2 GLU A 38 1.569 9.855 8.636 1.00 0.00 O ATOM 0 H GLU A 38 -2.364 9.015 6.550 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.424 10.911 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.019 10.927 6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.404 12.229 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.182 10.688 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.849 9.357 8.558 1.00 0.00 H new ATOM 567 N PRO A 39 -4.338 12.742 7.044 1.00 0.00 N ATOM 568 CA PRO A 39 -5.074 13.711 6.227 1.00 0.00 C ATOM 569 C PRO A 39 -4.148 14.582 5.386 1.00 0.00 C ATOM 570 O PRO A 39 -3.005 14.837 5.766 1.00 0.00 O ATOM 571 CB PRO A 39 -5.813 14.561 7.263 1.00 0.00 C ATOM 572 CG PRO A 39 -4.994 14.445 8.502 1.00 0.00 C ATOM 573 CD PRO A 39 -4.403 13.063 8.480 1.00 0.00 C ATOM 0 HA PRO A 39 -5.733 13.222 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.895 15.598 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.828 14.196 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.212 15.204 8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.608 14.593 9.391 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.416 13.041 8.942 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.025 12.351 9.023 1.00 0.00 H new ATOM 581 N GLY A 40 -4.648 15.038 4.241 1.00 0.00 N ATOM 582 CA GLY A 40 -3.851 15.876 3.365 1.00 0.00 C ATOM 583 C GLY A 40 -2.475 15.298 3.103 1.00 0.00 C ATOM 584 O GLY A 40 -1.558 16.015 2.703 1.00 0.00 O ATOM 0 H GLY A 40 -5.591 14.842 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.374 16.006 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.747 16.866 3.810 1.00 0.00 H new ATOM 588 N SER A 41 -2.328 13.996 3.330 1.00 0.00 N ATOM 589 CA SER A 41 -1.052 13.322 3.121 1.00 0.00 C ATOM 590 C SER A 41 -0.995 12.684 1.736 1.00 0.00 C ATOM 591 O SER A 41 -2.014 12.309 1.155 1.00 0.00 O ATOM 592 CB SER A 41 -0.832 12.256 4.196 1.00 0.00 C ATOM 593 OG SER A 41 -1.494 11.049 3.860 1.00 0.00 O ATOM 0 H SER A 41 -3.077 13.387 3.659 1.00 0.00 H new ATOM 0 HA SER A 41 -0.260 14.067 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.235 12.069 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.199 12.621 5.155 1.00 0.00 H new ATOM 0 HG SER A 41 -2.306 10.960 4.401 1.00 0.00 H new ATOM 599 N PRO A 42 0.225 12.558 1.194 1.00 0.00 N ATOM 600 CA PRO A 42 0.445 11.964 -0.129 1.00 0.00 C ATOM 601 C PRO A 42 -0.299 10.645 -0.304 1.00 0.00 C ATOM 602 O PRO A 42 -0.593 10.232 -1.425 1.00 0.00 O ATOM 603 CB PRO A 42 1.958 11.734 -0.166 1.00 0.00 C ATOM 604 CG PRO A 42 2.519 12.745 0.774 1.00 0.00 C ATOM 605 CD PRO A 42 1.483 12.983 1.829 1.00 0.00 C ATOM 0 HA PRO A 42 0.077 12.605 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.212 10.721 0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.354 11.867 -1.173 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.447 12.385 1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.755 13.671 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.691 12.405 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.447 14.032 2.124 1.00 0.00 H new ATOM 613 N ALA A 43 -0.600 9.989 0.812 1.00 0.00 N ATOM 614 CA ALA A 43 -1.312 8.717 0.781 1.00 0.00 C ATOM 615 C ALA A 43 -2.788 8.922 0.457 1.00 0.00 C ATOM 616 O ALA A 43 -3.338 8.257 -0.420 1.00 0.00 O ATOM 617 CB ALA A 43 -1.158 7.993 2.111 1.00 0.00 C ATOM 0 H ALA A 43 -0.362 10.317 1.748 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.875 8.104 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.695 7.045 2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.102 7.805 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.567 8.610 2.911 1.00 0.00 H new ATOM 623 N GLU A 44 -3.424 9.846 1.171 1.00 0.00 N ATOM 624 CA GLU A 44 -4.837 10.137 0.959 1.00 0.00 C ATOM 625 C GLU A 44 -5.057 10.813 -0.391 1.00 0.00 C ATOM 626 O GLU A 44 -6.057 10.567 -1.065 1.00 0.00 O ATOM 627 CB GLU A 44 -5.371 11.029 2.081 1.00 0.00 C ATOM 628 CG GLU A 44 -6.883 11.176 2.074 1.00 0.00 C ATOM 629 CD GLU A 44 -7.589 9.981 2.684 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.852 9.008 1.946 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.878 10.017 3.898 1.00 0.00 O ATOM 0 H GLU A 44 -2.983 10.406 1.901 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.381 9.192 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.059 10.617 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.918 12.017 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.159 12.076 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.226 11.311 1.048 1.00 0.00 H new ATOM 638 N ALA A 45 -4.114 11.665 -0.780 1.00 0.00 N ATOM 639 CA ALA A 45 -4.203 12.376 -2.050 1.00 0.00 C ATOM 640 C ALA A 45 -3.990 11.428 -3.225 1.00 0.00 C ATOM 641 O ALA A 45 -4.545 11.629 -4.305 1.00 0.00 O ATOM 642 CB ALA A 45 -3.190 13.510 -2.092 1.00 0.00 C ATOM 0 H ALA A 45 -3.280 11.880 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.205 12.797 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.268 14.032 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.391 14.208 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.185 13.104 -1.981 1.00 0.00 H new ATOM 648 N ALA A 46 -3.182 10.396 -3.008 1.00 0.00 N ATOM 649 CA ALA A 46 -2.896 9.417 -4.049 1.00 0.00 C ATOM 650 C ALA A 46 -4.158 8.662 -4.454 1.00 0.00 C ATOM 651 O ALA A 46 -4.308 8.256 -5.606 1.00 0.00 O ATOM 652 CB ALA A 46 -1.825 8.444 -3.580 1.00 0.00 C ATOM 0 H ALA A 46 -2.714 10.216 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.527 9.952 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.622 7.719 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.912 8.992 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.172 7.923 -2.688 1.00 0.00 H new ATOM 658 N GLY A 47 -5.064 8.477 -3.499 1.00 0.00 N ATOM 659 CA GLY A 47 -6.301 7.771 -3.776 1.00 0.00 C ATOM 660 C GLY A 47 -6.496 6.568 -2.874 1.00 0.00 C ATOM 661 O GLY A 47 -7.475 5.833 -3.010 1.00 0.00 O ATOM 0 H GLY A 47 -4.963 8.804 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.141 8.454 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.305 7.446 -4.816 1.00 0.00 H new ATOM 665 N LEU A 48 -5.562 6.364 -1.953 1.00 0.00 N ATOM 666 CA LEU A 48 -5.634 5.239 -1.026 1.00 0.00 C ATOM 667 C LEU A 48 -6.987 5.199 -0.323 1.00 0.00 C ATOM 668 O LEU A 48 -7.874 6.002 -0.614 1.00 0.00 O ATOM 669 CB LEU A 48 -4.512 5.334 0.009 1.00 0.00 C ATOM 670 CG LEU A 48 -3.193 4.656 -0.367 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.202 4.741 0.784 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.432 3.206 -0.761 1.00 0.00 C ATOM 0 H LEU A 48 -4.746 6.962 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.515 4.319 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.313 6.388 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.868 4.899 0.943 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.769 5.179 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.270 4.254 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.007 5.787 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.618 4.243 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.483 2.740 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.879 2.670 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.106 3.168 -1.617 1.00 0.00 H new ATOM 684 N LYS A 49 -7.138 4.261 0.605 1.00 0.00 N ATOM 685 CA LYS A 49 -8.382 4.117 1.353 1.00 0.00 C ATOM 686 C LYS A 49 -8.194 3.185 2.546 1.00 0.00 C ATOM 687 O LYS A 49 -7.590 2.120 2.425 1.00 0.00 O ATOM 688 CB LYS A 49 -9.489 3.581 0.443 1.00 0.00 C ATOM 689 CG LYS A 49 -10.115 4.644 -0.444 1.00 0.00 C ATOM 690 CD LYS A 49 -11.563 4.318 -0.767 1.00 0.00 C ATOM 691 CE LYS A 49 -12.003 4.968 -2.070 1.00 0.00 C ATOM 692 NZ LYS A 49 -13.288 4.401 -2.567 1.00 0.00 N ATOM 0 H LYS A 49 -6.414 3.588 0.858 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.670 5.101 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.080 2.790 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.267 3.129 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.061 5.612 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.545 4.729 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.687 3.237 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.204 4.659 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.114 6.042 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.229 4.829 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.553 4.870 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.176 3.381 -2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.033 4.556 -1.858 1.00 0.00 H new ATOM 706 N ASN A 50 -8.717 3.593 3.698 1.00 0.00 N ATOM 707 CA ASN A 50 -8.608 2.794 4.913 1.00 0.00 C ATOM 708 C ASN A 50 -9.106 1.371 4.675 1.00 0.00 C ATOM 709 O ASN A 50 -10.085 1.157 3.961 1.00 0.00 O ATOM 710 CB ASN A 50 -9.404 3.441 6.048 1.00 0.00 C ATOM 711 CG ASN A 50 -8.885 4.821 6.404 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.482 5.834 6.040 1.00 0.00 O ATOM 713 ND2 ASN A 50 -7.767 4.865 7.119 1.00 0.00 N ATOM 0 H ASN A 50 -9.220 4.472 3.815 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.556 2.750 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.452 3.514 5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.361 2.801 6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.369 5.765 7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.306 3.999 7.399 1.00 0.00 H new ATOM 720 N ASN A 51 -8.425 0.403 5.278 1.00 0.00 N ATOM 721 CA ASN A 51 -8.798 -1.000 5.132 1.00 0.00 C ATOM 722 C ASN A 51 -8.413 -1.524 3.752 1.00 0.00 C ATOM 723 O ASN A 51 -9.034 -2.452 3.234 1.00 0.00 O ATOM 724 CB ASN A 51 -10.301 -1.175 5.355 1.00 0.00 C ATOM 725 CG ASN A 51 -10.807 -0.374 6.539 1.00 0.00 C ATOM 726 OD1 ASN A 51 -11.470 0.650 6.372 1.00 0.00 O ATOM 727 ND2 ASN A 51 -10.495 -0.837 7.744 1.00 0.00 N ATOM 0 H ASN A 51 -7.612 0.564 5.873 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.257 -1.575 5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.837 -0.868 4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.522 -2.231 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.807 -0.340 8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.943 -1.690 7.835 1.00 0.00 H new ATOM 734 N ASP A 52 -7.384 -0.923 3.163 1.00 0.00 N ATOM 735 CA ASP A 52 -6.915 -1.330 1.843 1.00 0.00 C ATOM 736 C ASP A 52 -5.860 -2.427 1.956 1.00 0.00 C ATOM 737 O ASP A 52 -4.843 -2.257 2.631 1.00 0.00 O ATOM 738 CB ASP A 52 -6.341 -0.129 1.090 1.00 0.00 C ATOM 739 CG ASP A 52 -7.408 0.651 0.347 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.603 0.476 0.666 1.00 0.00 O ATOM 741 OD2 ASP A 52 -7.048 1.437 -0.554 1.00 0.00 O ATOM 0 H ASP A 52 -6.859 -0.153 3.578 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.766 -1.725 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.837 0.532 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.588 -0.474 0.382 1.00 0.00 H new ATOM 746 N LEU A 53 -6.109 -3.550 1.294 1.00 0.00 N ATOM 747 CA LEU A 53 -5.181 -4.676 1.320 1.00 0.00 C ATOM 748 C LEU A 53 -4.318 -4.700 0.062 1.00 0.00 C ATOM 749 O LEU A 53 -4.828 -4.829 -1.051 1.00 0.00 O ATOM 750 CB LEU A 53 -5.949 -5.992 1.450 1.00 0.00 C ATOM 751 CG LEU A 53 -5.106 -7.235 1.742 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.905 -8.243 2.553 1.00 0.00 C ATOM 753 CD2 LEU A 53 -4.613 -7.861 0.446 1.00 0.00 C ATOM 0 H LEU A 53 -6.946 -3.706 0.732 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.528 -4.556 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.686 -5.882 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.501 -6.161 0.525 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.239 -6.933 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.289 -9.120 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.208 -7.792 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.791 -8.541 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.015 -8.744 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.467 -8.149 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.003 -7.140 -0.098 1.00 0.00 H new ATOM 765 N VAL A 54 -3.008 -4.576 0.248 1.00 0.00 N ATOM 766 CA VAL A 54 -2.073 -4.587 -0.871 1.00 0.00 C ATOM 767 C VAL A 54 -1.458 -5.969 -1.060 1.00 0.00 C ATOM 768 O VAL A 54 -0.921 -6.555 -0.120 1.00 0.00 O ATOM 769 CB VAL A 54 -0.945 -3.558 -0.670 1.00 0.00 C ATOM 770 CG1 VAL A 54 -0.255 -3.257 -1.992 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.491 -2.285 -0.042 1.00 0.00 C ATOM 0 H VAL A 54 -2.570 -4.467 1.163 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.642 -4.321 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.206 -3.983 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.539 -2.528 -1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.172 -4.175 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.981 -2.852 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.680 -1.569 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.251 -1.854 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.934 -2.518 0.926 1.00 0.00 H new ATOM 781 N VAL A 55 -1.539 -6.485 -2.282 1.00 0.00 N ATOM 782 CA VAL A 55 -0.989 -7.799 -2.596 1.00 0.00 C ATOM 783 C VAL A 55 0.372 -7.677 -3.272 1.00 0.00 C ATOM 784 O VAL A 55 1.174 -8.610 -3.249 1.00 0.00 O ATOM 785 CB VAL A 55 -1.934 -8.600 -3.510 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.102 -9.160 -2.712 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.429 -7.731 -4.656 1.00 0.00 C ATOM 0 H VAL A 55 -1.980 -6.013 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.876 -8.329 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.379 -9.438 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.759 -9.723 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.725 -9.819 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.660 -8.340 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.096 -8.313 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.968 -6.872 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.579 -7.384 -5.243 1.00 0.00 H new ATOM 797 N ALA A 56 0.627 -6.520 -3.874 1.00 0.00 N ATOM 798 CA ALA A 56 1.892 -6.275 -4.555 1.00 0.00 C ATOM 799 C ALA A 56 2.369 -4.844 -4.328 1.00 0.00 C ATOM 800 O ALA A 56 1.564 -3.935 -4.126 1.00 0.00 O ATOM 801 CB ALA A 56 1.753 -6.557 -6.044 1.00 0.00 C ATOM 0 H ALA A 56 -0.026 -5.737 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 56 2.639 -6.950 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.705 -6.370 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.465 -7.598 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.989 -5.906 -6.468 1.00 0.00 H new ATOM 807 N VAL A 57 3.684 -4.651 -4.363 1.00 0.00 N ATOM 808 CA VAL A 57 4.268 -3.331 -4.161 1.00 0.00 C ATOM 809 C VAL A 57 5.443 -3.100 -5.106 1.00 0.00 C ATOM 810 O VAL A 57 6.422 -3.844 -5.088 1.00 0.00 O ATOM 811 CB VAL A 57 4.747 -3.145 -2.709 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.390 -1.778 -2.530 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.590 -3.331 -1.739 1.00 0.00 C ATOM 0 H VAL A 57 4.365 -5.392 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 57 3.485 -2.603 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 57 5.498 -3.904 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.722 -1.665 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.246 -1.688 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.663 -1.000 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.946 -3.196 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.814 -2.596 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.179 -4.335 -1.851 1.00 0.00 H new ATOM 823 N ASN A 58 5.337 -2.062 -5.930 1.00 0.00 N ATOM 824 CA ASN A 58 6.391 -1.733 -6.882 1.00 0.00 C ATOM 825 C ASN A 58 6.589 -2.863 -7.888 1.00 0.00 C ATOM 826 O ASN A 58 7.701 -3.106 -8.353 1.00 0.00 O ATOM 827 CB ASN A 58 7.704 -1.454 -6.147 1.00 0.00 C ATOM 828 CG ASN A 58 7.844 0.001 -5.744 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.888 0.773 -5.823 1.00 0.00 O ATOM 830 ND2 ASN A 58 9.039 0.382 -5.310 1.00 0.00 N ATOM 0 H ASN A 58 4.533 -1.435 -5.957 1.00 0.00 H new ATOM 0 HA ASN A 58 6.088 -0.837 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.759 -2.081 -5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.541 -1.733 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.194 1.349 -5.025 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.803 -0.292 -5.261 1.00 0.00 H new ATOM 837 N GLY A 59 5.500 -3.550 -8.219 1.00 0.00 N ATOM 838 CA GLY A 59 5.574 -4.646 -9.167 1.00 0.00 C ATOM 839 C GLY A 59 6.243 -5.875 -8.583 1.00 0.00 C ATOM 840 O GLY A 59 6.872 -6.650 -9.302 1.00 0.00 O ATOM 0 H GLY A 59 4.568 -3.367 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.568 -4.906 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.125 -4.322 -10.050 1.00 0.00 H new ATOM 844 N LYS A 60 6.108 -6.052 -7.273 1.00 0.00 N ATOM 845 CA LYS A 60 6.705 -7.195 -6.590 1.00 0.00 C ATOM 846 C LYS A 60 5.705 -7.841 -5.636 1.00 0.00 C ATOM 847 O LYS A 60 5.071 -7.159 -4.831 1.00 0.00 O ATOM 848 CB LYS A 60 7.953 -6.760 -5.820 1.00 0.00 C ATOM 849 CG LYS A 60 9.091 -6.299 -6.715 1.00 0.00 C ATOM 850 CD LYS A 60 9.872 -7.476 -7.275 1.00 0.00 C ATOM 851 CE LYS A 60 10.464 -7.154 -8.638 1.00 0.00 C ATOM 852 NZ LYS A 60 11.327 -8.257 -9.143 1.00 0.00 N ATOM 0 H LYS A 60 5.591 -5.419 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 60 6.989 -7.930 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.686 -5.951 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.299 -7.592 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.691 -5.703 -7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.762 -5.653 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.671 -7.745 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.216 -8.343 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.659 -6.969 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.049 -6.237 -8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.711 -7.999 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.110 -8.417 -8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.763 -9.127 -9.230 1.00 0.00 H new ATOM 866 N SER A 61 5.571 -9.160 -5.731 1.00 0.00 N ATOM 867 CA SER A 61 4.647 -9.897 -4.877 1.00 0.00 C ATOM 868 C SER A 61 5.027 -9.747 -3.407 1.00 0.00 C ATOM 869 O SER A 61 6.102 -10.173 -2.986 1.00 0.00 O ATOM 870 CB SER A 61 4.634 -11.378 -5.263 1.00 0.00 C ATOM 871 OG SER A 61 3.942 -12.150 -4.298 1.00 0.00 O ATOM 0 H SER A 61 6.090 -9.740 -6.390 1.00 0.00 H new ATOM 0 HA SER A 61 3.649 -9.482 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.161 -11.499 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.657 -11.741 -5.358 1.00 0.00 H new ATOM 0 HG SER A 61 3.946 -13.092 -4.568 1.00 0.00 H new ATOM 877 N VAL A 62 4.137 -9.137 -2.632 1.00 0.00 N ATOM 878 CA VAL A 62 4.377 -8.930 -1.208 1.00 0.00 C ATOM 879 C VAL A 62 3.401 -9.741 -0.363 1.00 0.00 C ATOM 880 O VAL A 62 3.643 -9.984 0.819 1.00 0.00 O ATOM 881 CB VAL A 62 4.255 -7.442 -0.829 1.00 0.00 C ATOM 882 CG1 VAL A 62 4.992 -6.572 -1.836 1.00 0.00 C ATOM 883 CG2 VAL A 62 2.792 -7.036 -0.731 1.00 0.00 C ATOM 0 H VAL A 62 3.243 -8.777 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 62 5.394 -9.266 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 62 4.716 -7.295 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.895 -5.524 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.047 -6.847 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.564 -6.720 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.724 -5.982 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.304 -7.198 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.298 -7.637 0.032 1.00 0.00 H new ATOM 893 N GLU A 63 2.298 -10.156 -0.977 1.00 0.00 N ATOM 894 CA GLU A 63 1.285 -10.939 -0.280 1.00 0.00 C ATOM 895 C GLU A 63 1.895 -12.197 0.332 1.00 0.00 C ATOM 896 O GLU A 63 1.284 -12.847 1.179 1.00 0.00 O ATOM 897 CB GLU A 63 0.155 -11.322 -1.239 1.00 0.00 C ATOM 898 CG GLU A 63 0.484 -12.512 -2.124 1.00 0.00 C ATOM 899 CD GLU A 63 -0.169 -12.422 -3.489 1.00 0.00 C ATOM 900 OE1 GLU A 63 -1.362 -12.059 -3.553 1.00 0.00 O ATOM 901 OE2 GLU A 63 0.512 -12.714 -4.494 1.00 0.00 O ATOM 0 H GLU A 63 2.083 -9.963 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 63 0.878 -10.325 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.741 -11.547 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.081 -10.465 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.565 -12.581 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.160 -13.428 -1.630 1.00 0.00 H new ATOM 908 N ALA A 64 3.104 -12.534 -0.106 1.00 0.00 N ATOM 909 CA ALA A 64 3.798 -13.712 0.399 1.00 0.00 C ATOM 910 C ALA A 64 4.787 -13.338 1.497 1.00 0.00 C ATOM 911 O ALA A 64 5.177 -14.178 2.309 1.00 0.00 O ATOM 912 CB ALA A 64 4.514 -14.429 -0.736 1.00 0.00 C ATOM 0 H ALA A 64 3.623 -12.008 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 64 3.055 -14.384 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.028 -15.307 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.787 -14.739 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.241 -13.756 -1.191 1.00 0.00 H new ATOM 918 N LEU A 65 5.191 -12.072 1.518 1.00 0.00 N ATOM 919 CA LEU A 65 6.136 -11.586 2.517 1.00 0.00 C ATOM 920 C LEU A 65 5.434 -11.319 3.845 1.00 0.00 C ATOM 921 O LEU A 65 4.218 -11.470 3.958 1.00 0.00 O ATOM 922 CB LEU A 65 6.820 -10.311 2.023 1.00 0.00 C ATOM 923 CG LEU A 65 8.104 -10.507 1.217 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.442 -9.248 0.435 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.256 -10.893 2.134 1.00 0.00 C ATOM 0 H LEU A 65 4.878 -11.364 0.854 1.00 0.00 H new ATOM 0 HA LEU A 65 6.890 -12.357 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.110 -9.757 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.049 -9.687 2.887 1.00 0.00 H new ATOM 0 HG LEU A 65 7.943 -11.318 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.359 -9.407 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.627 -9.016 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.583 -8.417 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.162 -11.028 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.417 -10.104 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.016 -11.824 2.648 1.00 0.00 H new ATOM 937 N ASP A 66 6.209 -10.919 4.848 1.00 0.00 N ATOM 938 CA ASP A 66 5.662 -10.627 6.167 1.00 0.00 C ATOM 939 C ASP A 66 5.623 -9.123 6.419 1.00 0.00 C ATOM 940 O ASP A 66 6.170 -8.339 5.643 1.00 0.00 O ATOM 941 CB ASP A 66 6.493 -11.316 7.251 1.00 0.00 C ATOM 942 CG ASP A 66 6.939 -12.706 6.842 1.00 0.00 C ATOM 943 OD1 ASP A 66 6.102 -13.633 6.875 1.00 0.00 O ATOM 944 OD2 ASP A 66 8.125 -12.867 6.488 1.00 0.00 O ATOM 0 H ASP A 66 7.218 -10.790 4.772 1.00 0.00 H new ATOM 0 HA ASP A 66 4.642 -11.010 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.369 -10.708 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.907 -11.381 8.168 1.00 0.00 H new ATOM 949 N HIS A 67 4.972 -8.727 7.508 1.00 0.00 N ATOM 950 CA HIS A 67 4.861 -7.316 7.861 1.00 0.00 C ATOM 951 C HIS A 67 6.125 -6.557 7.470 1.00 0.00 C ATOM 952 O HIS A 67 6.063 -5.548 6.767 1.00 0.00 O ATOM 953 CB HIS A 67 4.604 -7.163 9.361 1.00 0.00 C ATOM 954 CG HIS A 67 4.456 -5.739 9.801 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.256 -4.664 9.605 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.383 -5.286 10.538 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 4.656 -3.593 10.220 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 3.527 -3.995 10.776 1.00 0.00 N flip ATOM 0 H HIS A 67 4.514 -9.363 8.161 1.00 0.00 H new ATOM 0 HA HIS A 67 4.020 -6.894 7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.700 -7.712 9.624 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.426 -7.621 9.911 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.553 -5.893 10.869 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.044 -2.585 10.245 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.877 -3.408 11.300 1.00 0.00 H new ATOM 967 N ASP A 68 7.270 -7.048 7.930 1.00 0.00 N ATOM 968 CA ASP A 68 8.550 -6.416 7.628 1.00 0.00 C ATOM 969 C ASP A 68 8.796 -6.381 6.123 1.00 0.00 C ATOM 970 O ASP A 68 8.987 -5.314 5.540 1.00 0.00 O ATOM 971 CB ASP A 68 9.688 -7.161 8.327 1.00 0.00 C ATOM 972 CG ASP A 68 9.932 -6.656 9.735 1.00 0.00 C ATOM 973 OD1 ASP A 68 10.744 -5.721 9.898 1.00 0.00 O ATOM 974 OD2 ASP A 68 9.312 -7.196 10.675 1.00 0.00 O ATOM 0 H ASP A 68 7.339 -7.882 8.514 1.00 0.00 H new ATOM 0 HA ASP A 68 8.518 -5.391 7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.455 -8.225 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.602 -7.054 7.742 1.00 0.00 H new ATOM 979 N GLY A 69 8.792 -7.555 5.500 1.00 0.00 N ATOM 980 CA GLY A 69 9.017 -7.636 4.068 1.00 0.00 C ATOM 981 C GLY A 69 8.258 -6.573 3.301 1.00 0.00 C ATOM 982 O GLY A 69 8.858 -5.739 2.622 1.00 0.00 O ATOM 0 H GLY A 69 8.637 -8.452 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.083 -7.535 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.717 -8.621 3.711 1.00 0.00 H new ATOM 986 N VAL A 70 6.933 -6.601 3.406 1.00 0.00 N ATOM 987 CA VAL A 70 6.091 -5.632 2.715 1.00 0.00 C ATOM 988 C VAL A 70 6.479 -4.205 3.084 1.00 0.00 C ATOM 989 O VAL A 70 6.814 -3.397 2.217 1.00 0.00 O ATOM 990 CB VAL A 70 4.602 -5.848 3.044 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.726 -4.992 2.142 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.236 -7.319 2.915 1.00 0.00 C ATOM 0 H VAL A 70 6.420 -7.284 3.963 1.00 0.00 H new ATOM 0 HA VAL A 70 6.246 -5.783 1.647 1.00 0.00 H new ATOM 0 HB VAL A 70 4.428 -5.543 4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.677 -5.158 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.971 -3.940 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.901 -5.264 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.180 -7.453 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.425 -7.653 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.840 -7.906 3.607 1.00 0.00 H new ATOM 1002 N VAL A 71 6.432 -3.900 4.377 1.00 0.00 N ATOM 1003 CA VAL A 71 6.781 -2.570 4.862 1.00 0.00 C ATOM 1004 C VAL A 71 8.203 -2.194 4.461 1.00 0.00 C ATOM 1005 O VAL A 71 8.567 -1.018 4.460 1.00 0.00 O ATOM 1006 CB VAL A 71 6.650 -2.478 6.394 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.333 -1.223 6.915 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.186 -2.509 6.806 1.00 0.00 C ATOM 0 H VAL A 71 6.156 -4.556 5.107 1.00 0.00 H new ATOM 0 HA VAL A 71 6.081 -1.872 4.403 1.00 0.00 H new ATOM 0 HB VAL A 71 7.147 -3.342 6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.230 -1.176 7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.391 -1.248 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.869 -0.344 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.112 -2.443 7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.663 -1.666 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.732 -3.440 6.467 1.00 0.00 H new ATOM 1018 N GLU A 72 9.002 -3.200 4.120 1.00 0.00 N ATOM 1019 CA GLU A 72 10.385 -2.974 3.717 1.00 0.00 C ATOM 1020 C GLU A 72 10.463 -2.556 2.252 1.00 0.00 C ATOM 1021 O GLU A 72 11.137 -1.585 1.908 1.00 0.00 O ATOM 1022 CB GLU A 72 11.218 -4.238 3.943 1.00 0.00 C ATOM 1023 CG GLU A 72 12.717 -4.001 3.863 1.00 0.00 C ATOM 1024 CD GLU A 72 13.321 -3.628 5.202 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.259 -4.457 6.134 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.857 -2.505 5.319 1.00 0.00 O ATOM 0 H GLU A 72 8.716 -4.179 4.115 1.00 0.00 H new ATOM 0 HA GLU A 72 10.788 -2.167 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.976 -4.653 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.937 -4.986 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.204 -4.901 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.918 -3.206 3.144 1.00 0.00 H new ATOM 1033 N MET A 73 9.769 -3.296 1.393 1.00 0.00 N ATOM 1034 CA MET A 73 9.759 -3.001 -0.035 1.00 0.00 C ATOM 1035 C MET A 73 9.454 -1.528 -0.284 1.00 0.00 C ATOM 1036 O MET A 73 10.010 -0.915 -1.196 1.00 0.00 O ATOM 1037 CB MET A 73 8.728 -3.876 -0.751 1.00 0.00 C ATOM 1038 CG MET A 73 9.047 -5.361 -0.693 1.00 0.00 C ATOM 1039 SD MET A 73 10.373 -5.831 -1.821 1.00 0.00 S ATOM 1040 CE MET A 73 9.430 -6.366 -3.247 1.00 0.00 C ATOM 0 H MET A 73 9.207 -4.104 1.661 1.00 0.00 H new ATOM 0 HA MET A 73 10.750 -3.220 -0.433 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.747 -3.706 -0.306 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.663 -3.567 -1.794 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.330 -5.628 0.325 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.150 -5.931 -0.935 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.014 -7.086 -3.820 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.502 -6.832 -2.916 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.199 -5.505 -3.874 1.00 0.00 H new ATOM 1050 N ILE A 74 8.568 -0.966 0.531 1.00 0.00 N ATOM 1051 CA ILE A 74 8.190 0.436 0.398 1.00 0.00 C ATOM 1052 C ILE A 74 9.373 1.354 0.685 1.00 0.00 C ATOM 1053 O ILE A 74 9.617 2.315 -0.044 1.00 0.00 O ATOM 1054 CB ILE A 74 7.032 0.799 1.346 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.759 0.051 0.942 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.794 2.302 1.341 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.790 -0.153 2.085 1.00 0.00 C ATOM 0 H ILE A 74 8.098 -1.459 1.290 1.00 0.00 H new ATOM 0 HA ILE A 74 7.864 0.578 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 74 7.303 0.497 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.259 0.604 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.033 -0.921 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.973 2.543 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.697 2.815 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.541 2.627 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.912 -0.689 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.273 -0.733 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.486 0.816 2.482 1.00 0.00 H new ATOM 1069 N ARG A 75 10.106 1.050 1.751 1.00 0.00 N ATOM 1070 CA ARG A 75 11.265 1.847 2.134 1.00 0.00 C ATOM 1071 C ARG A 75 12.340 1.798 1.053 1.00 0.00 C ATOM 1072 O ARG A 75 12.941 2.817 0.712 1.00 0.00 O ATOM 1073 CB ARG A 75 11.839 1.347 3.461 1.00 0.00 C ATOM 1074 CG ARG A 75 11.199 1.989 4.682 1.00 0.00 C ATOM 1075 CD ARG A 75 9.959 1.229 5.125 1.00 0.00 C ATOM 1076 NE ARG A 75 9.193 1.967 6.125 1.00 0.00 N ATOM 1077 CZ ARG A 75 9.466 1.944 7.425 1.00 0.00 C ATOM 1078 NH1 ARG A 75 10.483 1.224 7.879 1.00 0.00 N ATOM 1079 NH2 ARG A 75 8.723 2.643 8.273 1.00 0.00 N ATOM 0 H ARG A 75 9.918 0.257 2.365 1.00 0.00 H new ATOM 0 HA ARG A 75 10.940 2.881 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.709 0.266 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.912 1.541 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.920 2.019 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.933 3.021 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.327 1.030 4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.253 0.263 5.534 1.00 0.00 H new ATOM 0 HE ARG A 75 8.405 2.531 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.057 0.686 7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.691 1.208 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.941 3.199 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.934 2.624 9.271 1.00 0.00 H new ATOM 1093 N LYS A 76 12.579 0.606 0.517 1.00 0.00 N ATOM 1094 CA LYS A 76 13.581 0.422 -0.527 1.00 0.00 C ATOM 1095 C LYS A 76 13.258 1.278 -1.748 1.00 0.00 C ATOM 1096 O LYS A 76 14.156 1.727 -2.458 1.00 0.00 O ATOM 1097 CB LYS A 76 13.662 -1.052 -0.931 1.00 0.00 C ATOM 1098 CG LYS A 76 14.271 -1.943 0.138 1.00 0.00 C ATOM 1099 CD LYS A 76 13.749 -3.367 0.041 1.00 0.00 C ATOM 1100 CE LYS A 76 14.616 -4.216 -0.876 1.00 0.00 C ATOM 1101 NZ LYS A 76 14.397 -3.884 -2.311 1.00 0.00 N ATOM 0 H LYS A 76 12.092 -0.248 0.789 1.00 0.00 H new ATOM 0 HA LYS A 76 14.546 0.737 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.660 -1.412 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.252 -1.138 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.356 -1.945 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.044 -1.537 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.721 -3.814 1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.725 -3.356 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.666 -4.066 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.396 -5.271 -0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.676 -4.694 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.391 -3.671 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.971 -3.055 -2.567 1.00 0.00 H new ATOM 1115 N GLY A 77 11.969 1.500 -1.985 1.00 0.00 N ATOM 1116 CA GLY A 77 11.551 2.303 -3.119 1.00 0.00 C ATOM 1117 C GLY A 77 12.268 3.637 -3.181 1.00 0.00 C ATOM 1118 O GLY A 77 12.555 4.146 -4.264 1.00 0.00 O ATOM 0 H GLY A 77 11.207 1.138 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.738 1.751 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.476 2.474 -3.062 1.00 0.00 H new ATOM 1122 N GLY A 78 12.556 4.207 -2.015 1.00 0.00 N ATOM 1123 CA GLY A 78 13.240 5.486 -1.964 1.00 0.00 C ATOM 1124 C GLY A 78 12.297 6.636 -1.669 1.00 0.00 C ATOM 1125 O GLY A 78 11.819 6.783 -0.543 1.00 0.00 O ATOM 0 H GLY A 78 12.328 3.806 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.015 5.450 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.740 5.665 -2.916 1.00 0.00 H new ATOM 1129 N ASP A 79 12.029 7.454 -2.680 1.00 0.00 N ATOM 1130 CA ASP A 79 11.138 8.597 -2.524 1.00 0.00 C ATOM 1131 C ASP A 79 9.699 8.213 -2.854 1.00 0.00 C ATOM 1132 O ASP A 79 8.791 8.422 -2.049 1.00 0.00 O ATOM 1133 CB ASP A 79 11.590 9.750 -3.422 1.00 0.00 C ATOM 1134 CG ASP A 79 13.098 9.900 -3.457 1.00 0.00 C ATOM 1135 OD1 ASP A 79 13.673 10.352 -2.445 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.703 9.563 -4.496 1.00 0.00 O ATOM 0 H ASP A 79 12.416 7.347 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 79 11.180 8.919 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.221 9.585 -4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.144 10.679 -3.068 1.00 0.00 H new ATOM 1141 N GLN A 80 9.499 7.653 -4.042 1.00 0.00 N ATOM 1142 CA GLN A 80 8.169 7.241 -4.478 1.00 0.00 C ATOM 1143 C GLN A 80 8.098 5.728 -4.656 1.00 0.00 C ATOM 1144 O GLN A 80 9.104 5.078 -4.942 1.00 0.00 O ATOM 1145 CB GLN A 80 7.801 7.939 -5.789 1.00 0.00 C ATOM 1146 CG GLN A 80 8.524 7.375 -7.002 1.00 0.00 C ATOM 1147 CD GLN A 80 7.853 7.752 -8.308 1.00 0.00 C ATOM 1148 OE1 GLN A 80 7.278 8.834 -8.435 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.922 6.859 -9.288 1.00 0.00 N ATOM 0 H GLN A 80 10.240 7.474 -4.720 1.00 0.00 H new ATOM 0 HA GLN A 80 7.455 7.531 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.726 7.856 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.029 9.001 -5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.552 7.737 -7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.569 6.289 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.409 5.975 -9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.488 7.057 -10.190 1.00 0.00 H new ATOM 1158 N THR A 81 6.903 5.173 -4.485 1.00 0.00 N ATOM 1159 CA THR A 81 6.701 3.736 -4.625 1.00 0.00 C ATOM 1160 C THR A 81 5.262 3.419 -5.015 1.00 0.00 C ATOM 1161 O THR A 81 4.317 3.954 -4.434 1.00 0.00 O ATOM 1162 CB THR A 81 7.044 2.991 -3.321 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.889 1.580 -3.508 1.00 0.00 O ATOM 1164 CG2 THR A 81 6.152 3.457 -2.180 1.00 0.00 C ATOM 0 H THR A 81 6.060 5.697 -4.249 1.00 0.00 H new ATOM 0 HA THR A 81 7.372 3.398 -5.415 1.00 0.00 H new ATOM 0 HB THR A 81 8.080 3.212 -3.064 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.525 1.406 -4.401 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.413 2.917 -1.270 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.294 4.526 -2.021 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.109 3.263 -2.431 1.00 0.00 H new ATOM 1172 N THR A 82 5.100 2.543 -6.002 1.00 0.00 N ATOM 1173 CA THR A 82 3.776 2.154 -6.470 1.00 0.00 C ATOM 1174 C THR A 82 3.208 1.016 -5.630 1.00 0.00 C ATOM 1175 O THR A 82 3.934 0.105 -5.228 1.00 0.00 O ATOM 1176 CB THR A 82 3.807 1.721 -7.948 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.447 2.727 -8.740 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.399 1.477 -8.469 1.00 0.00 C ATOM 0 H THR A 82 5.870 2.089 -6.493 1.00 0.00 H new ATOM 0 HA THR A 82 3.135 3.030 -6.370 1.00 0.00 H new ATOM 0 HB THR A 82 4.370 0.791 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.464 2.443 -9.678 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.446 1.172 -9.515 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.925 0.690 -7.882 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.816 2.394 -8.384 1.00 0.00 H new ATOM 1186 N LEU A 83 1.907 1.073 -5.367 1.00 0.00 N ATOM 1187 CA LEU A 83 1.241 0.045 -4.575 1.00 0.00 C ATOM 1188 C LEU A 83 0.070 -0.561 -5.342 1.00 0.00 C ATOM 1189 O LEU A 83 -0.441 0.037 -6.290 1.00 0.00 O ATOM 1190 CB LEU A 83 0.748 0.633 -3.251 1.00 0.00 C ATOM 1191 CG LEU A 83 1.569 1.793 -2.685 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.915 2.346 -1.429 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.994 1.345 -2.394 1.00 0.00 C ATOM 0 H LEU A 83 1.293 1.820 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 83 1.964 -0.744 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.279 0.973 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.724 -0.165 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 83 1.604 2.587 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.513 3.170 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.086 2.705 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.849 1.560 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.564 2.183 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.979 0.534 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.461 0.997 -3.315 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.351 -1.750 -4.926 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.464 -2.437 -5.573 1.00 0.00 C ATOM 1207 C LEU A 84 -2.424 -3.014 -4.537 1.00 0.00 C ATOM 1208 O LEU A 84 -2.123 -4.014 -3.886 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.943 -3.553 -6.479 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.999 -4.321 -7.274 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.586 -3.443 -8.369 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.404 -5.590 -7.866 1.00 0.00 C ATOM 0 H LEU A 84 0.061 -2.259 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.005 -1.710 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.232 -3.120 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.391 -4.264 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.803 -4.604 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.336 -4.006 -8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.050 -2.564 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.793 -3.128 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.171 -6.123 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.581 -5.330 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.034 -6.227 -7.063 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.581 -2.376 -4.390 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.587 -2.828 -3.436 1.00 0.00 C ATOM 1226 C VAL A 85 -5.812 -3.386 -4.152 1.00 0.00 C ATOM 1227 O VAL A 85 -6.089 -3.034 -5.300 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.028 -1.685 -2.503 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.825 -1.076 -1.799 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.793 -0.626 -3.282 1.00 0.00 C ATOM 0 H VAL A 85 -3.845 -1.545 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.127 -3.617 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.694 -2.096 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.156 -0.270 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.324 -1.842 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.132 -0.679 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.097 0.174 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.154 -0.217 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.678 -1.075 -3.734 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.544 -4.258 -3.468 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.741 -4.866 -4.038 1.00 0.00 C ATOM 1242 C LEU A 86 -8.996 -4.133 -3.575 1.00 0.00 C ATOM 1243 O LEU A 86 -8.983 -3.440 -2.558 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.825 -6.342 -3.644 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.171 -7.332 -4.609 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -7.923 -7.366 -5.930 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.710 -6.971 -4.834 1.00 0.00 C ATOM 0 H LEU A 86 -6.330 -4.560 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.676 -4.789 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.364 -6.463 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.876 -6.610 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.215 -8.326 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.443 -8.076 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.954 -7.673 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.912 -6.374 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.261 -7.686 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.644 -5.969 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.178 -7.000 -3.883 1.00 0.00 H new ATOM 1259 N ASP A 87 -10.079 -4.293 -4.328 1.00 0.00 N ATOM 1260 CA ASP A 87 -11.345 -3.649 -3.994 1.00 0.00 C ATOM 1261 C ASP A 87 -12.214 -4.568 -3.142 1.00 0.00 C ATOM 1262 O ASP A 87 -12.748 -4.157 -2.112 1.00 0.00 O ATOM 1263 CB ASP A 87 -12.093 -3.255 -5.268 1.00 0.00 C ATOM 1264 CG ASP A 87 -12.812 -4.429 -5.904 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -12.126 -5.346 -6.401 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -14.061 -4.431 -5.904 1.00 0.00 O ATOM 0 H ASP A 87 -10.106 -4.863 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.126 -2.750 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.816 -2.473 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.388 -2.833 -5.984 1.00 0.00 H new ATOM 1271 N LYS A 88 -12.353 -5.815 -3.579 1.00 0.00 N ATOM 1272 CA LYS A 88 -13.157 -6.795 -2.858 1.00 0.00 C ATOM 1273 C LYS A 88 -12.381 -7.375 -1.681 1.00 0.00 C ATOM 1274 O LYS A 88 -12.944 -7.617 -0.614 1.00 0.00 O ATOM 1275 CB LYS A 88 -13.593 -7.920 -3.799 1.00 0.00 C ATOM 1276 CG LYS A 88 -14.591 -7.477 -4.855 1.00 0.00 C ATOM 1277 CD LYS A 88 -15.947 -7.164 -4.245 1.00 0.00 C ATOM 1278 CE LYS A 88 -16.887 -6.540 -5.265 1.00 0.00 C ATOM 1279 NZ LYS A 88 -18.159 -6.082 -4.640 1.00 0.00 N ATOM 0 H LYS A 88 -11.919 -6.171 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.042 -6.289 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -12.712 -8.331 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.033 -8.725 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.210 -6.595 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.701 -8.261 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.390 -8.079 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.820 -6.484 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.393 -5.695 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.108 -7.266 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.772 -5.663 -5.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.643 -6.893 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.951 -5.370 -3.911 1.00 0.00 H new ATOM 1293 N GLU A 89 -11.085 -7.594 -1.882 1.00 0.00 N ATOM 1294 CA GLU A 89 -10.233 -8.146 -0.835 1.00 0.00 C ATOM 1295 C GLU A 89 -9.700 -7.040 0.071 1.00 0.00 C ATOM 1296 O GLU A 89 -8.746 -7.243 0.821 1.00 0.00 O ATOM 1297 CB GLU A 89 -9.067 -8.921 -1.452 1.00 0.00 C ATOM 1298 CG GLU A 89 -9.412 -9.593 -2.771 1.00 0.00 C ATOM 1299 CD GLU A 89 -8.606 -10.854 -3.011 1.00 0.00 C ATOM 1300 OE1 GLU A 89 -7.804 -11.223 -2.127 1.00 0.00 O ATOM 1301 OE2 GLU A 89 -8.776 -11.473 -4.082 1.00 0.00 O ATOM 0 H GLU A 89 -10.603 -7.398 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.835 -8.827 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.231 -8.239 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.731 -9.679 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.474 -9.837 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.237 -8.893 -3.588 1.00 0.00 H new ATOM 1308 N ALA A 90 -10.323 -5.868 -0.005 1.00 0.00 N ATOM 1309 CA ALA A 90 -9.913 -4.731 0.808 1.00 0.00 C ATOM 1310 C ALA A 90 -10.569 -4.775 2.184 1.00 0.00 C ATOM 1311 O ALA A 90 -9.891 -4.694 3.208 1.00 0.00 O ATOM 1312 CB ALA A 90 -10.253 -3.427 0.102 1.00 0.00 C ATOM 0 H ALA A 90 -11.114 -5.682 -0.622 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.833 -4.786 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.941 -2.586 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.733 -3.385 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.329 -3.374 -0.066 1.00 0.00 H new ATOM 1318 N GLU A 91 -11.893 -4.903 2.200 1.00 0.00 N ATOM 1319 CA GLU A 91 -12.639 -4.956 3.451 1.00 0.00 C ATOM 1320 C GLU A 91 -12.543 -6.341 4.084 1.00 0.00 C ATOM 1321 O GLU A 91 -12.644 -7.358 3.397 1.00 0.00 O ATOM 1322 CB GLU A 91 -14.107 -4.595 3.211 1.00 0.00 C ATOM 1323 CG GLU A 91 -14.834 -5.573 2.305 1.00 0.00 C ATOM 1324 CD GLU A 91 -15.241 -6.844 3.026 1.00 0.00 C ATOM 1325 OE1 GLU A 91 -15.857 -6.741 4.107 1.00 0.00 O ATOM 1326 OE2 GLU A 91 -14.942 -7.941 2.509 1.00 0.00 O ATOM 0 H GLU A 91 -12.470 -4.972 1.361 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.200 -4.231 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.623 -4.549 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.160 -3.598 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.722 -5.092 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.192 -5.828 1.462 1.00 0.00 H new ATOM 1333 N SER A 92 -12.345 -6.373 5.398 1.00 0.00 N ATOM 1334 CA SER A 92 -12.230 -7.632 6.124 1.00 0.00 C ATOM 1335 C SER A 92 -13.128 -7.633 7.357 1.00 0.00 C ATOM 1336 O SER A 92 -13.036 -6.745 8.206 1.00 0.00 O ATOM 1337 CB SER A 92 -10.777 -7.876 6.538 1.00 0.00 C ATOM 1338 OG SER A 92 -10.689 -8.904 7.508 1.00 0.00 O ATOM 0 H SER A 92 -12.261 -5.541 5.982 1.00 0.00 H new ATOM 0 HA SER A 92 -12.552 -8.435 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.187 -8.146 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.350 -6.956 6.938 1.00 0.00 H new ATOM 0 HG SER A 92 -9.751 -9.042 7.755 1.00 0.00 H new ATOM 1344 N ILE A 93 -13.997 -8.634 7.448 1.00 0.00 N ATOM 1345 CA ILE A 93 -14.911 -8.751 8.577 1.00 0.00 C ATOM 1346 C ILE A 93 -14.476 -9.864 9.524 1.00 0.00 C ATOM 1347 O ILE A 93 -13.564 -10.633 9.218 1.00 0.00 O ATOM 1348 CB ILE A 93 -16.352 -9.026 8.108 1.00 0.00 C ATOM 1349 CG1 ILE A 93 -16.429 -10.374 7.388 1.00 0.00 C ATOM 1350 CG2 ILE A 93 -16.837 -7.906 7.200 1.00 0.00 C ATOM 1351 CD1 ILE A 93 -16.732 -11.535 8.309 1.00 0.00 C ATOM 0 H ILE A 93 -14.087 -9.376 6.753 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.884 -7.797 9.104 1.00 0.00 H new ATOM 0 HB ILE A 93 -17.001 -9.065 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -17.198 -10.322 6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.482 -10.560 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.857 -8.115 6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.815 -6.962 7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -16.187 -7.838 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.772 -12.458 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -15.950 -11.614 9.065 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -17.693 -11.371 8.797 1.00 0.00 H new ATOM 1363 N TYR A 94 -15.134 -9.946 10.675 1.00 0.00 N ATOM 1364 CA TYR A 94 -14.815 -10.964 11.668 1.00 0.00 C ATOM 1365 C TYR A 94 -15.861 -12.075 11.664 1.00 0.00 C ATOM 1366 O TYR A 94 -17.037 -11.835 11.390 1.00 0.00 O ATOM 1367 CB TYR A 94 -14.725 -10.338 13.061 1.00 0.00 C ATOM 1368 CG TYR A 94 -16.013 -9.694 13.520 1.00 0.00 C ATOM 1369 CD1 TYR A 94 -17.145 -10.461 13.769 1.00 0.00 C ATOM 1370 CD2 TYR A 94 -16.099 -8.320 13.703 1.00 0.00 C ATOM 1371 CE1 TYR A 94 -18.325 -9.877 14.188 1.00 0.00 C ATOM 1372 CE2 TYR A 94 -17.275 -7.728 14.124 1.00 0.00 C ATOM 1373 CZ TYR A 94 -18.385 -8.510 14.364 1.00 0.00 C ATOM 1374 OH TYR A 94 -19.557 -7.924 14.782 1.00 0.00 O ATOM 0 H TYR A 94 -15.892 -9.319 10.943 1.00 0.00 H new ATOM 0 HA TYR A 94 -13.849 -11.398 11.409 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.438 -11.107 13.778 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.933 -9.589 13.063 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -17.102 -11.531 13.633 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -15.233 -7.704 13.513 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.196 -10.487 14.377 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.324 -6.658 14.264 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.430 -6.955 14.857 1.00 0.00 H new ATOM 1384 N SER A 95 -15.423 -13.292 11.971 1.00 0.00 N ATOM 1385 CA SER A 95 -16.319 -14.442 12.000 1.00 0.00 C ATOM 1386 C SER A 95 -17.015 -14.554 13.353 1.00 0.00 C ATOM 1387 O SER A 95 -16.484 -14.119 14.376 1.00 0.00 O ATOM 1388 CB SER A 95 -15.543 -15.728 11.705 1.00 0.00 C ATOM 1389 OG SER A 95 -14.703 -16.077 12.792 1.00 0.00 O ATOM 0 H SER A 95 -14.453 -13.507 12.203 1.00 0.00 H new ATOM 0 HA SER A 95 -17.078 -14.300 11.231 1.00 0.00 H new ATOM 0 HB2 SER A 95 -16.242 -16.541 11.506 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.943 -15.596 10.805 1.00 0.00 H new ATOM 0 HG SER A 95 -14.219 -16.903 12.580 1.00 0.00 H new ATOM 1395 N LEU A 96 -18.207 -15.140 13.351 1.00 0.00 N ATOM 1396 CA LEU A 96 -18.978 -15.310 14.578 1.00 0.00 C ATOM 1397 C LEU A 96 -19.551 -16.721 14.670 1.00 0.00 C ATOM 1398 O LEU A 96 -20.311 -17.035 15.586 1.00 0.00 O ATOM 1399 CB LEU A 96 -20.109 -14.283 14.639 1.00 0.00 C ATOM 1400 CG LEU A 96 -21.333 -14.579 13.771 1.00 0.00 C ATOM 1401 CD1 LEU A 96 -20.906 -14.994 12.372 1.00 0.00 C ATOM 1402 CD2 LEU A 96 -22.192 -15.659 14.411 1.00 0.00 C ATOM 0 H LEU A 96 -18.661 -15.505 12.514 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.308 -15.154 15.424 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.436 -14.194 15.675 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.708 -13.313 14.347 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.928 -13.669 13.692 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.790 -15.201 11.768 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.333 -14.189 11.913 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -20.289 -15.891 12.431 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -23.058 -15.857 13.780 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -21.607 -16.572 14.520 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -22.527 -15.323 15.392 1.00 0.00 H new ATOM 1414 N SER A 97 -19.180 -17.568 13.715 1.00 0.00 N ATOM 1415 CA SER A 97 -19.659 -18.945 13.687 1.00 0.00 C ATOM 1416 C SER A 97 -18.900 -19.805 14.694 1.00 0.00 C ATOM 1417 O SER A 97 -17.755 -20.189 14.461 1.00 0.00 O ATOM 1418 CB SER A 97 -19.507 -19.532 12.282 1.00 0.00 C ATOM 1419 OG SER A 97 -18.145 -19.578 11.894 1.00 0.00 O ATOM 0 H SER A 97 -18.550 -17.325 12.951 1.00 0.00 H new ATOM 0 HA SER A 97 -20.714 -18.942 13.960 1.00 0.00 H new ATOM 0 HB2 SER A 97 -19.930 -20.536 12.256 1.00 0.00 H new ATOM 0 HB3 SER A 97 -20.071 -18.930 11.570 1.00 0.00 H new ATOM 0 HG SER A 97 -17.591 -19.803 12.670 1.00 0.00 H new ATOM 1425 N GLY A 98 -19.548 -20.102 15.816 1.00 0.00 N ATOM 1426 CA GLY A 98 -18.921 -20.913 16.843 1.00 0.00 C ATOM 1427 C GLY A 98 -19.921 -21.458 17.843 1.00 0.00 C ATOM 1428 O GLY A 98 -20.014 -20.990 18.978 1.00 0.00 O ATOM 0 H GLY A 98 -20.496 -19.795 16.032 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.392 -21.743 16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.175 -20.316 17.368 1.00 0.00 H new ATOM 1432 N PRO A 99 -20.693 -22.470 17.422 1.00 0.00 N ATOM 1433 CA PRO A 99 -21.706 -23.101 18.274 1.00 0.00 C ATOM 1434 C PRO A 99 -21.087 -23.914 19.406 1.00 0.00 C ATOM 1435 O PRO A 99 -19.911 -24.273 19.354 1.00 0.00 O ATOM 1436 CB PRO A 99 -22.461 -24.017 17.309 1.00 0.00 C ATOM 1437 CG PRO A 99 -21.484 -24.313 16.224 1.00 0.00 C ATOM 1438 CD PRO A 99 -20.636 -23.079 16.083 1.00 0.00 C ATOM 0 HA PRO A 99 -22.340 -22.364 18.767 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -22.790 -24.930 17.805 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -23.353 -23.529 16.916 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -20.873 -25.180 16.475 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -21.996 -24.544 15.290 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -19.613 -23.325 15.797 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -21.028 -22.407 15.319 1.00 0.00 H new ATOM 1446 N SER A 100 -21.887 -24.201 20.428 1.00 0.00 N ATOM 1447 CA SER A 100 -21.416 -24.969 21.575 1.00 0.00 C ATOM 1448 C SER A 100 -22.570 -25.713 22.241 1.00 0.00 C ATOM 1449 O SER A 100 -23.738 -25.452 21.955 1.00 0.00 O ATOM 1450 CB SER A 100 -20.735 -24.048 22.589 1.00 0.00 C ATOM 1451 OG SER A 100 -19.939 -24.788 23.497 1.00 0.00 O ATOM 0 H SER A 100 -22.864 -23.913 20.485 1.00 0.00 H new ATOM 0 HA SER A 100 -20.692 -25.701 21.218 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.114 -23.321 22.065 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.490 -23.485 23.138 1.00 0.00 H new ATOM 0 HG SER A 100 -19.514 -24.176 24.133 1.00 0.00 H new ATOM 1457 N SER A 101 -22.232 -26.641 23.131 1.00 0.00 N ATOM 1458 CA SER A 101 -23.239 -27.426 23.836 1.00 0.00 C ATOM 1459 C SER A 101 -22.908 -27.524 25.322 1.00 0.00 C ATOM 1460 O SER A 101 -21.741 -27.582 25.707 1.00 0.00 O ATOM 1461 CB SER A 101 -23.339 -28.827 23.230 1.00 0.00 C ATOM 1462 OG SER A 101 -22.131 -29.546 23.405 1.00 0.00 O ATOM 0 H SER A 101 -21.269 -26.867 23.381 1.00 0.00 H new ATOM 0 HA SER A 101 -24.199 -26.922 23.728 1.00 0.00 H new ATOM 0 HB2 SER A 101 -24.160 -29.371 23.697 1.00 0.00 H new ATOM 0 HB3 SER A 101 -23.570 -28.751 22.167 1.00 0.00 H new ATOM 0 HG SER A 101 -22.221 -30.439 23.011 1.00 0.00 H new ATOM 1468 N GLY A 102 -23.945 -27.543 26.153 1.00 0.00 N ATOM 1469 CA GLY A 102 -23.745 -27.634 27.588 1.00 0.00 C ATOM 1470 C GLY A 102 -23.634 -26.273 28.245 1.00 0.00 C ATOM 1471 O GLY A 102 -22.537 -25.733 28.387 1.00 0.00 O ATOM 0 H GLY A 102 -24.920 -27.497 25.859 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -24.575 -28.182 28.033 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.840 -28.207 27.790 1.00 0.00 H new TER 1475 GLY A 102