USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 857 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 57 LYS NZ :NH3+ -164:sc= 2.62 (180deg=0.882) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.28 K(o=3.9,f=-11!) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.0616 K(o=0.11,f=-5.8!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 152:sc= 0.0529 (180deg=0) USER MOD Set 3.1: A 38 HIS : no HE2:sc= 0.329 K(o=0.46,f=-2.6) USER MOD Set 3.2: A 41 GLN : amide:sc= 0.129 K(o=0.46,f=-1.6!) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 1.1 K(o=-0.41,f=-9.4!) USER MOD Set 4.2: A 34 GLN : amide:sc= -1.51! K(o=-0.41!,f=-1.6) USER MOD Set 5.1: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 17 MET CE :methyl -172:sc= 0 (180deg=-0.0499) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0.994 (180deg=0.994) USER MOD Single : A 12 HIS : no HD1:sc= -0.293 K(o=-0.29,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.16) USER MOD Single : A 15 LYS NZ :NH3+ -151:sc= 1.39 (180deg=0.991) USER MOD Single : A 16 MET CE :methyl -143:sc= 0 (180deg=-0.411) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.1!) USER MOD Single : A 28 GLN : amide:sc= -0.713 X(o=-0.71,f=-0.25) USER MOD Single : A 29 SER OG : rot -23:sc= 1.1 USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= 0.334 (180deg=-0.827!) USER MOD Single : A 44 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.019) USER MOD Single : A 46 THR OG1 : rot -139:sc= 0.669 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.869 K(o=0.87,f=-2.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0.0553 X(o=0.055,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= 0.861 (180deg=-0.00191!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 81 ASN : amide:sc= -0.681 K(o=-0.68,f=-3!) USER MOD Single : A 88 TYR OH : rot -49:sc= 0.696 USER MOD Single : A 95 GLN : amide:sc= 0.407 X(o=0.41,f=-0.0024) USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= 1.74 (180deg=1.33) USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.418 (180deg=-1.29!) USER MOD Single : A 109 SER OG : rot 62:sc= 1.26 USER MOD Single : A 111 SER OG : rot -78:sc= 1.15 USER MOD Single : A 112 SER OG : rot 33:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 6.128 29.349 4.670 1.00 0.00 N ATOM 85 CA ARG A 7 4.819 29.730 4.123 1.00 0.00 C ATOM 86 C ARG A 7 3.935 28.509 3.907 1.00 0.00 C ATOM 87 O ARG A 7 2.735 28.556 4.173 1.00 0.00 O ATOM 88 CB ARG A 7 5.036 30.449 2.787 1.00 0.00 C ATOM 89 CG ARG A 7 3.791 30.975 2.108 1.00 0.00 C ATOM 90 CD ARG A 7 4.183 31.549 0.757 1.00 0.00 C ATOM 91 NE ARG A 7 3.028 32.030 -0.015 1.00 0.00 N ATOM 92 CZ ARG A 7 3.095 32.532 -1.245 1.00 0.00 C ATOM 93 NH1 ARG A 7 4.221 32.656 -1.897 1.00 0.00 N ATOM 94 NH2 ARG A 7 1.997 32.925 -1.829 1.00 0.00 N ATOM 0 HA ARG A 7 4.318 30.387 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.716 31.285 2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.536 29.762 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.062 30.175 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.320 31.742 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.882 32.372 0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.707 30.786 0.181 1.00 0.00 H new ATOM 0 HE ARG A 7 2.109 31.975 0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.096 32.362 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.224 33.047 -2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.104 32.845 -1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.031 33.312 -2.772 1.00 0.00 H new ATOM 108 N TYR A 8 4.526 27.421 3.438 1.00 0.00 N ATOM 109 CA TYR A 8 3.771 26.199 3.172 1.00 0.00 C ATOM 110 C TYR A 8 3.950 25.131 4.247 1.00 0.00 C ATOM 111 O TYR A 8 3.403 24.040 4.140 1.00 0.00 O ATOM 112 CB TYR A 8 4.187 25.634 1.813 1.00 0.00 C ATOM 113 CG TYR A 8 4.048 26.643 0.691 1.00 0.00 C ATOM 114 CD1 TYR A 8 5.142 26.947 -0.140 1.00 0.00 C ATOM 115 CD2 TYR A 8 2.825 27.308 0.458 1.00 0.00 C ATOM 116 CE1 TYR A 8 5.025 27.907 -1.173 1.00 0.00 C ATOM 117 CE2 TYR A 8 2.707 28.270 -0.579 1.00 0.00 C ATOM 118 CZ TYR A 8 3.813 28.563 -1.378 1.00 0.00 C ATOM 119 OH TYR A 8 3.719 29.509 -2.365 1.00 0.00 O ATOM 0 H TYR A 8 5.523 27.356 3.233 1.00 0.00 H new ATOM 0 HA TYR A 8 2.715 26.470 3.174 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.222 25.297 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.578 24.759 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.084 26.441 0.013 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.969 27.082 1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.874 28.131 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.766 28.773 -0.749 1.00 0.00 H new ATOM 0 HH TYR A 8 2.810 29.874 -2.383 1.00 0.00 H new ATOM 129 N SER A 9 4.705 25.443 5.292 1.00 0.00 N ATOM 130 CA SER A 9 4.988 24.461 6.345 1.00 0.00 C ATOM 131 C SER A 9 3.717 23.887 6.957 1.00 0.00 C ATOM 132 O SER A 9 3.686 22.732 7.336 1.00 0.00 O ATOM 133 CB SER A 9 5.842 25.082 7.452 1.00 0.00 C ATOM 134 OG SER A 9 5.166 26.159 8.084 1.00 0.00 O ATOM 0 H SER A 9 5.132 26.358 5.438 1.00 0.00 H new ATOM 0 HA SER A 9 5.535 23.647 5.869 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.090 24.321 8.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.783 25.437 7.032 1.00 0.00 H new ATOM 0 HG SER A 9 5.735 26.535 8.788 1.00 0.00 H new ATOM 140 N LYS A 10 2.673 24.698 7.038 1.00 0.00 N ATOM 141 CA LYS A 10 1.392 24.279 7.614 1.00 0.00 C ATOM 142 C LYS A 10 0.808 23.005 6.977 1.00 0.00 C ATOM 143 O LYS A 10 0.789 21.928 7.594 1.00 0.00 O ATOM 144 CB LYS A 10 0.378 25.435 7.501 1.00 0.00 C ATOM 145 CG LYS A 10 0.519 26.287 6.215 1.00 0.00 C ATOM 146 CD LYS A 10 -0.694 27.178 5.995 1.00 0.00 C ATOM 147 CE LYS A 10 -0.632 27.877 4.632 1.00 0.00 C ATOM 148 NZ LYS A 10 -0.805 26.912 3.487 1.00 0.00 N ATOM 0 H LYS A 10 2.684 25.663 6.709 1.00 0.00 H new ATOM 0 HA LYS A 10 1.585 24.032 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.630 25.023 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.490 26.086 8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.416 26.903 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.648 25.630 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.603 26.580 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.748 27.925 6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.409 28.640 4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.325 28.389 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.756 27.430 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.049 26.198 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.729 26.442 3.566 1.00 0.00 H new ATOM 162 N GLU A 11 0.318 23.113 5.753 1.00 0.00 N ATOM 163 CA GLU A 11 -0.345 21.983 5.132 1.00 0.00 C ATOM 164 C GLU A 11 0.684 20.988 4.649 1.00 0.00 C ATOM 165 O GLU A 11 0.382 19.808 4.552 1.00 0.00 O ATOM 166 CB GLU A 11 -1.252 22.407 3.973 1.00 0.00 C ATOM 167 CG GLU A 11 -2.147 23.602 4.270 1.00 0.00 C ATOM 168 CD GLU A 11 -2.975 23.419 5.523 1.00 0.00 C ATOM 169 OE1 GLU A 11 -2.942 24.321 6.380 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.667 22.383 5.649 1.00 0.00 O ATOM 0 H GLU A 11 0.366 23.956 5.180 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.981 21.520 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.630 22.642 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.880 21.561 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.530 24.495 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.811 23.772 3.423 1.00 0.00 H new ATOM 177 N HIS A 12 1.903 21.436 4.361 1.00 0.00 N ATOM 178 CA HIS A 12 2.935 20.495 3.940 1.00 0.00 C ATOM 179 C HIS A 12 3.251 19.545 5.086 1.00 0.00 C ATOM 180 O HIS A 12 3.374 18.362 4.860 1.00 0.00 O ATOM 181 CB HIS A 12 4.209 21.199 3.475 1.00 0.00 C ATOM 182 CG HIS A 12 5.183 20.284 2.797 1.00 0.00 C ATOM 183 ND1 HIS A 12 5.288 20.137 1.436 1.00 0.00 N ATOM 184 CD2 HIS A 12 6.121 19.444 3.317 1.00 0.00 C ATOM 185 CE1 HIS A 12 6.254 19.258 1.185 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.789 18.797 2.298 1.00 0.00 N ATOM 0 H HIS A 12 2.194 22.412 4.409 1.00 0.00 H new ATOM 0 HA HIS A 12 2.549 19.938 3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.941 22.004 2.790 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.694 21.661 4.335 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.313 19.305 4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.562 18.959 0.194 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.537 18.109 2.387 1.00 0.00 H new ATOM 194 N MET A 13 3.366 20.043 6.314 1.00 0.00 N ATOM 195 CA MET A 13 3.629 19.165 7.462 1.00 0.00 C ATOM 196 C MET A 13 2.420 18.274 7.716 1.00 0.00 C ATOM 197 O MET A 13 2.568 17.080 7.970 1.00 0.00 O ATOM 198 CB MET A 13 3.935 19.980 8.725 1.00 0.00 C ATOM 199 CG MET A 13 4.259 19.129 9.949 1.00 0.00 C ATOM 200 SD MET A 13 5.784 18.200 9.729 1.00 0.00 S ATOM 201 CE MET A 13 5.640 16.972 11.032 1.00 0.00 C ATOM 0 H MET A 13 3.284 21.033 6.543 1.00 0.00 H new ATOM 0 HA MET A 13 4.500 18.553 7.227 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.777 20.642 8.523 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.078 20.614 8.952 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.347 19.771 10.825 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.437 18.439 10.141 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.516 16.323 11.019 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.574 17.473 11.998 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.743 16.374 10.871 1.00 0.00 H new ATOM 211 N LYS A 14 1.223 18.850 7.638 1.00 0.00 N ATOM 212 CA LYS A 14 -0.011 18.072 7.834 1.00 0.00 C ATOM 213 C LYS A 14 -0.052 16.890 6.863 1.00 0.00 C ATOM 214 O LYS A 14 -0.245 15.723 7.262 1.00 0.00 O ATOM 215 CB LYS A 14 -1.223 18.979 7.585 1.00 0.00 C ATOM 216 CG LYS A 14 -2.586 18.286 7.703 1.00 0.00 C ATOM 217 CD LYS A 14 -3.688 19.122 7.045 1.00 0.00 C ATOM 218 CE LYS A 14 -3.641 19.008 5.508 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.662 19.895 4.858 1.00 0.00 N ATOM 0 H LYS A 14 1.075 19.840 7.443 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.035 17.691 8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.190 19.806 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.137 19.410 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.540 17.304 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.826 18.125 8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.662 18.791 7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.578 20.166 7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.646 19.276 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.817 17.973 5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.721 19.671 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.590 19.739 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.384 20.890 4.978 1.00 0.00 H new ATOM 233 N LYS A 15 0.125 17.193 5.586 1.00 0.00 N ATOM 234 CA LYS A 15 0.096 16.164 4.566 1.00 0.00 C ATOM 235 C LYS A 15 1.280 15.248 4.771 1.00 0.00 C ATOM 236 O LYS A 15 1.090 14.082 4.791 1.00 0.00 O ATOM 237 CB LYS A 15 0.076 16.759 3.147 1.00 0.00 C ATOM 238 CG LYS A 15 -1.346 17.059 2.606 1.00 0.00 C ATOM 239 CD LYS A 15 -2.156 15.776 2.235 1.00 0.00 C ATOM 240 CE LYS A 15 -1.717 15.171 0.891 1.00 0.00 C ATOM 241 NZ LYS A 15 -2.394 13.853 0.587 1.00 0.00 N ATOM 0 H LYS A 15 0.289 18.137 5.236 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.827 15.592 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.657 17.682 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.573 16.067 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.900 17.624 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.264 17.695 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.033 15.032 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.217 16.020 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.936 15.879 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.637 15.025 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.768 13.270 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.595 13.353 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.285 14.029 0.080 1.00 0.00 H new ATOM 255 N MET A 16 2.489 15.754 4.957 1.00 0.00 N ATOM 256 CA MET A 16 3.651 14.872 5.140 1.00 0.00 C ATOM 257 C MET A 16 3.429 13.864 6.255 1.00 0.00 C ATOM 258 O MET A 16 3.761 12.690 6.103 1.00 0.00 O ATOM 259 CB MET A 16 4.924 15.678 5.415 1.00 0.00 C ATOM 260 CG MET A 16 6.192 14.832 5.404 1.00 0.00 C ATOM 261 SD MET A 16 7.676 15.818 5.669 1.00 0.00 S ATOM 262 CE MET A 16 7.660 16.009 7.449 1.00 0.00 C ATOM 0 H MET A 16 2.699 16.752 4.986 1.00 0.00 H new ATOM 0 HA MET A 16 3.776 14.324 4.206 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.015 16.465 4.667 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.832 16.169 6.384 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.123 14.068 6.179 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.270 14.312 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.014 17.006 7.711 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.644 15.876 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.312 15.262 7.901 1.00 0.00 H new ATOM 272 N MET A 17 2.851 14.312 7.360 1.00 0.00 N ATOM 273 CA MET A 17 2.550 13.411 8.461 1.00 0.00 C ATOM 274 C MET A 17 1.598 12.320 7.976 1.00 0.00 C ATOM 275 O MET A 17 1.898 11.139 8.113 1.00 0.00 O ATOM 276 CB MET A 17 1.935 14.185 9.630 1.00 0.00 C ATOM 277 CG MET A 17 1.629 13.325 10.851 1.00 0.00 C ATOM 278 SD MET A 17 0.914 14.307 12.198 1.00 0.00 S ATOM 279 CE MET A 17 2.356 15.202 12.816 1.00 0.00 C ATOM 0 H MET A 17 2.584 15.284 7.517 1.00 0.00 H new ATOM 0 HA MET A 17 3.472 12.948 8.812 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.617 14.983 9.922 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.014 14.660 9.293 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.937 12.530 10.573 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.544 12.844 11.197 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.091 15.732 13.731 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.160 14.496 13.025 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.689 15.919 12.065 1.00 0.00 H new ATOM 289 N LYS A 18 0.465 12.699 7.396 1.00 0.00 N ATOM 290 CA LYS A 18 -0.501 11.682 6.949 1.00 0.00 C ATOM 291 C LYS A 18 -0.051 10.857 5.745 1.00 0.00 C ATOM 292 O LYS A 18 -0.404 9.696 5.626 1.00 0.00 O ATOM 293 CB LYS A 18 -1.843 12.321 6.627 1.00 0.00 C ATOM 294 CG LYS A 18 -2.604 12.716 7.870 1.00 0.00 C ATOM 295 CD LYS A 18 -4.075 12.881 7.563 1.00 0.00 C ATOM 296 CE LYS A 18 -4.863 13.089 8.844 1.00 0.00 C ATOM 297 NZ LYS A 18 -6.337 13.001 8.578 1.00 0.00 N ATOM 0 H LYS A 18 0.191 13.667 7.225 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.584 10.993 7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.683 13.203 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.444 11.624 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.471 11.957 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.203 13.648 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.221 13.731 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.445 11.999 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.575 12.338 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.623 14.063 9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.859 13.146 9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.610 13.733 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.565 12.063 8.192 1.00 0.00 H new ATOM 311 N ASP A 19 0.712 11.454 4.855 1.00 0.00 N ATOM 312 CA ASP A 19 1.167 10.782 3.646 1.00 0.00 C ATOM 313 C ASP A 19 2.239 9.774 3.993 1.00 0.00 C ATOM 314 O ASP A 19 2.325 8.736 3.376 1.00 0.00 O ATOM 315 CB ASP A 19 1.770 11.766 2.646 1.00 0.00 C ATOM 316 CG ASP A 19 0.817 12.881 2.246 1.00 0.00 C ATOM 317 OD1 ASP A 19 1.358 13.926 1.805 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.422 12.768 2.381 1.00 0.00 O ATOM 0 H ASP A 19 1.037 12.417 4.944 1.00 0.00 H new ATOM 0 HA ASP A 19 0.297 10.299 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.670 12.205 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.077 11.222 1.752 1.00 0.00 H new ATOM 323 N LEU A 20 3.074 10.056 4.987 1.00 0.00 N ATOM 324 CA LEU A 20 4.092 9.074 5.364 1.00 0.00 C ATOM 325 C LEU A 20 3.510 8.050 6.315 1.00 0.00 C ATOM 326 O LEU A 20 4.004 6.919 6.383 1.00 0.00 O ATOM 327 CB LEU A 20 5.354 9.729 5.917 1.00 0.00 C ATOM 328 CG LEU A 20 6.127 10.524 4.845 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.407 11.084 5.451 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.475 9.661 3.594 1.00 0.00 C ATOM 0 H LEU A 20 3.073 10.920 5.530 1.00 0.00 H new ATOM 0 HA LEU A 20 4.404 8.551 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.084 10.397 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.005 8.961 6.334 1.00 0.00 H new ATOM 0 HG LEU A 20 5.478 11.333 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.953 11.646 4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.158 11.744 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.028 10.264 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.019 10.270 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.094 8.816 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.556 9.292 3.139 1.00 0.00 H new ATOM 342 N GLU A 21 2.434 8.407 7.007 1.00 0.00 N ATOM 343 CA GLU A 21 1.664 7.403 7.734 1.00 0.00 C ATOM 344 C GLU A 21 1.189 6.470 6.636 1.00 0.00 C ATOM 345 O GLU A 21 1.325 5.269 6.743 1.00 0.00 O ATOM 346 CB GLU A 21 0.421 7.977 8.417 1.00 0.00 C ATOM 347 CG GLU A 21 0.599 8.516 9.812 1.00 0.00 C ATOM 348 CD GLU A 21 -0.740 8.981 10.366 1.00 0.00 C ATOM 349 OE1 GLU A 21 -1.654 8.125 10.483 1.00 0.00 O ATOM 350 OE2 GLU A 21 -0.899 10.183 10.670 1.00 0.00 O ATOM 0 H GLU A 21 2.080 9.361 7.080 1.00 0.00 H new ATOM 0 HA GLU A 21 2.269 6.949 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.029 8.779 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.340 7.197 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.021 7.745 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.306 9.346 9.803 1.00 0.00 H new ATOM 357 N GLY A 22 0.645 7.050 5.574 1.00 0.00 N ATOM 358 CA GLY A 22 0.160 6.284 4.442 1.00 0.00 C ATOM 359 C GLY A 22 1.237 5.455 3.782 1.00 0.00 C ATOM 360 O GLY A 22 0.997 4.314 3.448 1.00 0.00 O ATOM 0 H GLY A 22 0.530 8.059 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.644 5.627 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.268 6.965 3.706 1.00 0.00 H new ATOM 364 N LEU A 23 2.430 6.003 3.601 1.00 0.00 N ATOM 365 CA LEU A 23 3.523 5.256 2.979 1.00 0.00 C ATOM 366 C LEU A 23 3.831 4.024 3.851 1.00 0.00 C ATOM 367 O LEU A 23 4.068 2.932 3.351 1.00 0.00 O ATOM 368 CB LEU A 23 4.754 6.152 2.791 1.00 0.00 C ATOM 369 CG LEU A 23 5.589 5.832 1.533 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.470 7.018 1.165 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.468 4.594 1.718 1.00 0.00 C ATOM 0 H LEU A 23 2.669 6.957 3.873 1.00 0.00 H new ATOM 0 HA LEU A 23 3.231 4.918 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.428 7.191 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.393 6.060 3.669 1.00 0.00 H new ATOM 0 HG LEU A 23 4.881 5.627 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.053 6.777 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.844 7.887 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.145 7.240 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.035 4.411 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.157 4.757 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.839 3.730 1.934 1.00 0.00 H new ATOM 383 N HIS A 24 3.794 4.186 5.168 1.00 0.00 N ATOM 384 CA HIS A 24 3.998 3.038 6.060 1.00 0.00 C ATOM 385 C HIS A 24 2.761 2.138 6.137 1.00 0.00 C ATOM 386 O HIS A 24 2.868 0.974 6.478 1.00 0.00 O ATOM 387 CB HIS A 24 4.428 3.492 7.448 1.00 0.00 C ATOM 388 CG HIS A 24 5.840 3.985 7.487 1.00 0.00 C ATOM 389 ND1 HIS A 24 6.950 3.139 7.393 1.00 0.00 N ATOM 390 CD2 HIS A 24 6.367 5.234 7.579 1.00 0.00 C ATOM 391 CE1 HIS A 24 8.051 3.871 7.434 1.00 0.00 C ATOM 392 NE2 HIS A 24 7.725 5.133 7.547 1.00 0.00 N ATOM 0 H HIS A 24 3.629 5.076 5.639 1.00 0.00 H new ATOM 0 HA HIS A 24 4.803 2.441 5.631 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.762 4.285 7.788 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.319 2.662 8.146 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.916 2.123 7.307 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.804 6.152 7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.059 3.488 7.382 1.00 0.00 H new ATOM 400 N ARG A 25 1.591 2.652 5.795 1.00 0.00 N ATOM 401 CA ARG A 25 0.397 1.807 5.701 1.00 0.00 C ATOM 402 C ARG A 25 0.501 0.993 4.415 1.00 0.00 C ATOM 403 O ARG A 25 -0.038 -0.086 4.343 1.00 0.00 O ATOM 404 CB ARG A 25 -0.890 2.638 5.726 1.00 0.00 C ATOM 405 CG ARG A 25 -1.180 3.238 7.105 1.00 0.00 C ATOM 406 CD ARG A 25 -2.261 4.316 7.044 1.00 0.00 C ATOM 407 NE ARG A 25 -2.310 5.114 8.288 1.00 0.00 N ATOM 408 CZ ARG A 25 -2.942 4.769 9.404 1.00 0.00 C ATOM 409 NH1 ARG A 25 -3.598 3.638 9.521 1.00 0.00 N ATOM 410 NH2 ARG A 25 -2.912 5.575 10.427 1.00 0.00 N ATOM 0 H ARG A 25 1.436 3.637 5.579 1.00 0.00 H new ATOM 0 HA ARG A 25 0.349 1.144 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.813 3.442 4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.729 2.011 5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.495 2.447 7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.265 3.665 7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.070 4.975 6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.231 3.849 6.873 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.816 6.006 8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.635 2.987 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.070 3.411 10.396 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.407 6.459 10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.393 5.322 11.290 1.00 0.00 H new ATOM 424 N ALA A 26 1.224 1.504 3.426 1.00 0.00 N ATOM 425 CA ALA A 26 1.511 0.751 2.206 1.00 0.00 C ATOM 426 C ALA A 26 2.576 -0.315 2.514 1.00 0.00 C ATOM 427 O ALA A 26 2.575 -1.390 1.952 1.00 0.00 O ATOM 428 CB ALA A 26 1.986 1.688 1.093 1.00 0.00 C ATOM 0 H ALA A 26 1.625 2.442 3.443 1.00 0.00 H new ATOM 0 HA ALA A 26 0.601 0.261 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.194 1.108 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.209 2.422 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.893 2.201 1.412 1.00 0.00 H new ATOM 434 N GLU A 27 3.477 -0.017 3.435 1.00 0.00 N ATOM 435 CA GLU A 27 4.456 -1.011 3.904 1.00 0.00 C ATOM 436 C GLU A 27 3.657 -2.146 4.586 1.00 0.00 C ATOM 437 O GLU A 27 3.872 -3.366 4.379 1.00 0.00 O ATOM 438 CB GLU A 27 5.416 -0.314 4.872 1.00 0.00 C ATOM 439 CG GLU A 27 6.744 -0.981 5.115 1.00 0.00 C ATOM 440 CD GLU A 27 7.671 -0.040 5.885 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.789 0.245 5.409 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.262 0.448 6.968 1.00 0.00 O ATOM 0 H GLU A 27 3.559 0.898 3.877 1.00 0.00 H new ATOM 0 HA GLU A 27 5.051 -1.436 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.605 0.691 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.910 -0.206 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.599 -1.903 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.201 -1.257 4.164 1.00 0.00 H new ATOM 449 N GLN A 28 2.682 -1.729 5.376 1.00 0.00 N ATOM 450 CA GLN A 28 1.775 -2.675 5.981 1.00 0.00 C ATOM 451 C GLN A 28 0.909 -3.323 4.920 1.00 0.00 C ATOM 452 O GLN A 28 0.443 -4.391 5.149 1.00 0.00 O ATOM 453 CB GLN A 28 0.883 -2.028 7.043 1.00 0.00 C ATOM 454 CG GLN A 28 1.584 -1.763 8.374 1.00 0.00 C ATOM 455 CD GLN A 28 2.105 -3.030 9.059 1.00 0.00 C ATOM 456 OE1 GLN A 28 3.139 -2.994 9.708 1.00 0.00 O ATOM 457 NE2 GLN A 28 1.400 -4.130 8.930 1.00 0.00 N ATOM 0 H GLN A 28 2.503 -0.752 5.608 1.00 0.00 H new ATOM 0 HA GLN A 28 2.386 -3.430 6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.499 -1.085 6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.023 -2.673 7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.419 -1.082 8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.890 -1.257 9.045 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.541 -4.124 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.711 -4.991 9.380 1.00 0.00 H new ATOM 466 N SER A 29 0.688 -2.721 3.761 1.00 0.00 N ATOM 467 CA SER A 29 -0.096 -3.407 2.740 1.00 0.00 C ATOM 468 C SER A 29 0.756 -4.523 2.141 1.00 0.00 C ATOM 469 O SER A 29 0.216 -5.561 1.835 1.00 0.00 O ATOM 470 CB SER A 29 -0.681 -2.466 1.676 1.00 0.00 C ATOM 471 OG SER A 29 0.295 -1.928 0.814 1.00 0.00 O ATOM 0 H SER A 29 1.025 -1.793 3.507 1.00 0.00 H new ATOM 0 HA SER A 29 -0.977 -3.840 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.418 -3.010 1.085 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.208 -1.651 2.172 1.00 0.00 H new ATOM 0 HG SER A 29 1.169 -1.947 1.257 1.00 0.00 H new ATOM 477 N LEU A 30 2.077 -4.349 2.019 1.00 0.00 N ATOM 478 CA LEU A 30 2.958 -5.466 1.603 1.00 0.00 C ATOM 479 C LEU A 30 2.773 -6.547 2.658 1.00 0.00 C ATOM 480 O LEU A 30 2.429 -7.710 2.373 1.00 0.00 O ATOM 481 CB LEU A 30 4.471 -5.134 1.679 1.00 0.00 C ATOM 482 CG LEU A 30 5.308 -4.410 0.623 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.205 -2.906 0.645 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.782 -4.786 0.906 1.00 0.00 C ATOM 0 H LEU A 30 2.560 -3.468 2.196 1.00 0.00 H new ATOM 0 HA LEU A 30 2.697 -5.724 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.595 -4.554 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.970 -6.090 1.838 1.00 0.00 H new ATOM 0 HG LEU A 30 4.937 -4.720 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.834 -2.487 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.170 -2.610 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.537 -2.533 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.429 -4.295 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.054 -4.462 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.903 -5.866 0.828 1.00 0.00 H new ATOM 496 N HIS A 31 3.044 -6.163 3.898 1.00 0.00 N ATOM 497 CA HIS A 31 3.089 -7.163 4.958 1.00 0.00 C ATOM 498 C HIS A 31 1.745 -7.806 5.288 1.00 0.00 C ATOM 499 O HIS A 31 1.684 -9.003 5.572 1.00 0.00 O ATOM 500 CB HIS A 31 3.804 -6.588 6.164 1.00 0.00 C ATOM 501 CG HIS A 31 5.223 -6.213 5.862 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.999 -6.827 4.899 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.021 -5.246 6.393 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.188 -6.239 4.891 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.262 -5.270 5.782 1.00 0.00 N ATOM 0 H HIS A 31 3.230 -5.203 4.189 1.00 0.00 H new ATOM 0 HA HIS A 31 3.666 -8.008 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.266 -5.708 6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.788 -7.317 6.974 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.709 -7.598 4.298 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.728 -4.561 7.175 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.998 -6.520 4.234 1.00 0.00 H new ATOM 513 N ASP A 32 0.667 -7.050 5.210 1.00 0.00 N ATOM 514 CA ASP A 32 -0.663 -7.611 5.387 1.00 0.00 C ATOM 515 C ASP A 32 -0.941 -8.499 4.190 1.00 0.00 C ATOM 516 O ASP A 32 -1.566 -9.520 4.346 1.00 0.00 O ATOM 517 CB ASP A 32 -1.766 -6.540 5.464 1.00 0.00 C ATOM 518 CG ASP A 32 -1.858 -5.864 6.839 1.00 0.00 C ATOM 519 OD1 ASP A 32 -2.977 -5.406 7.172 1.00 0.00 O ATOM 520 OD2 ASP A 32 -0.853 -5.793 7.584 1.00 0.00 O ATOM 0 H ASP A 32 0.683 -6.047 5.026 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.679 -8.155 6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.579 -5.780 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.726 -6.999 5.227 1.00 0.00 H new ATOM 525 N LEU A 33 -0.479 -8.140 2.996 1.00 0.00 N ATOM 526 CA LEU A 33 -0.717 -8.992 1.828 1.00 0.00 C ATOM 527 C LEU A 33 -0.082 -10.355 2.067 1.00 0.00 C ATOM 528 O LEU A 33 -0.770 -11.378 1.949 1.00 0.00 O ATOM 529 CB LEU A 33 -0.209 -8.354 0.511 1.00 0.00 C ATOM 530 CG LEU A 33 -1.318 -7.550 -0.203 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.749 -6.498 -1.166 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.261 -8.504 -0.965 1.00 0.00 C ATOM 0 H LEU A 33 0.050 -7.288 2.810 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.794 -9.108 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.634 -7.698 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.158 -9.136 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.876 -7.019 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.568 -5.960 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.128 -5.795 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.146 -6.991 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.038 -7.925 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.691 -9.062 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.721 -9.199 -0.262 1.00 0.00 H new ATOM 544 N GLN A 34 1.198 -10.406 2.428 1.00 0.00 N ATOM 545 CA GLN A 34 1.800 -11.734 2.663 1.00 0.00 C ATOM 546 C GLN A 34 1.226 -12.454 3.893 1.00 0.00 C ATOM 547 O GLN A 34 0.936 -13.655 3.824 1.00 0.00 O ATOM 548 CB GLN A 34 3.338 -11.719 2.756 1.00 0.00 C ATOM 549 CG GLN A 34 3.982 -10.505 3.437 1.00 0.00 C ATOM 550 CD GLN A 34 4.671 -9.524 2.483 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.484 -8.699 2.923 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.357 -9.589 1.206 1.00 0.00 N ATOM 0 H GLN A 34 1.814 -9.604 2.560 1.00 0.00 H new ATOM 0 HA GLN A 34 1.524 -12.294 1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.654 -12.615 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.739 -11.793 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.214 -9.969 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.714 -10.859 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.683 -10.282 0.881 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.788 -8.946 0.542 1.00 0.00 H new ATOM 561 N GLU A 35 1.056 -11.758 5.011 1.00 0.00 N ATOM 562 CA GLU A 35 0.550 -12.415 6.222 1.00 0.00 C ATOM 563 C GLU A 35 -0.880 -12.900 6.029 1.00 0.00 C ATOM 564 O GLU A 35 -1.220 -14.011 6.410 1.00 0.00 O ATOM 565 CB GLU A 35 0.619 -11.465 7.427 1.00 0.00 C ATOM 566 CG GLU A 35 0.010 -12.030 8.727 1.00 0.00 C ATOM 567 CD GLU A 35 0.638 -13.353 9.174 1.00 0.00 C ATOM 568 OE1 GLU A 35 1.855 -13.557 8.964 1.00 0.00 O ATOM 569 OE2 GLU A 35 -0.098 -14.187 9.753 1.00 0.00 O ATOM 0 H GLU A 35 1.254 -10.762 5.110 1.00 0.00 H new ATOM 0 HA GLU A 35 1.185 -13.279 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.662 -11.209 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.104 -10.539 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.127 -11.295 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.061 -12.176 8.583 1.00 0.00 H new ATOM 576 N ARG A 36 -1.728 -12.085 5.426 1.00 0.00 N ATOM 577 CA ARG A 36 -3.123 -12.470 5.236 1.00 0.00 C ATOM 578 C ARG A 36 -3.217 -13.579 4.203 1.00 0.00 C ATOM 579 O ARG A 36 -4.091 -14.426 4.305 1.00 0.00 O ATOM 580 CB ARG A 36 -3.950 -11.252 4.843 1.00 0.00 C ATOM 581 CG ARG A 36 -5.397 -11.288 5.246 1.00 0.00 C ATOM 582 CD ARG A 36 -5.944 -9.873 5.113 1.00 0.00 C ATOM 583 NE ARG A 36 -7.301 -9.722 5.658 1.00 0.00 N ATOM 584 CZ ARG A 36 -7.947 -8.567 5.769 1.00 0.00 C ATOM 585 NH1 ARG A 36 -7.411 -7.427 5.402 1.00 0.00 N ATOM 586 NH2 ARG A 36 -9.157 -8.557 6.259 1.00 0.00 N ATOM 0 H ARG A 36 -1.484 -11.164 5.063 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.529 -12.855 6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.491 -10.367 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.896 -11.133 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.955 -11.976 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.501 -11.645 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.275 -9.182 5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.949 -9.590 4.060 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.781 -10.565 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.467 -7.408 5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.938 -6.560 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.596 -9.430 6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.663 -7.676 6.349 1.00 0.00 H new ATOM 600 N LEU A 37 -2.309 -13.606 3.234 1.00 0.00 N ATOM 601 CA LEU A 37 -2.253 -14.724 2.284 1.00 0.00 C ATOM 602 C LEU A 37 -1.832 -15.992 3.031 1.00 0.00 C ATOM 603 O LEU A 37 -2.463 -17.061 2.904 1.00 0.00 O ATOM 604 CB LEU A 37 -1.232 -14.435 1.178 1.00 0.00 C ATOM 605 CG LEU A 37 -0.962 -15.563 0.169 1.00 0.00 C ATOM 606 CD1 LEU A 37 -2.155 -15.804 -0.752 1.00 0.00 C ATOM 607 CD2 LEU A 37 0.268 -15.199 -0.645 1.00 0.00 C ATOM 0 H LEU A 37 -1.608 -12.880 3.082 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.237 -14.857 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.570 -13.559 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.286 -14.169 1.650 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.794 -16.490 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.920 -16.609 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.024 -16.082 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.373 -14.894 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.474 -15.990 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.090 -14.262 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.124 -15.083 0.020 1.00 0.00 H new ATOM 619 N HIS A 38 -0.771 -15.880 3.822 1.00 0.00 N ATOM 620 CA HIS A 38 -0.277 -17.033 4.561 1.00 0.00 C ATOM 621 C HIS A 38 -1.339 -17.547 5.519 1.00 0.00 C ATOM 622 O HIS A 38 -1.536 -18.747 5.639 1.00 0.00 O ATOM 623 CB HIS A 38 1.003 -16.699 5.322 1.00 0.00 C ATOM 624 CG HIS A 38 1.673 -17.903 5.903 1.00 0.00 C ATOM 625 ND1 HIS A 38 1.868 -19.080 5.222 1.00 0.00 N ATOM 626 CD2 HIS A 38 2.185 -18.125 7.146 1.00 0.00 C ATOM 627 CE1 HIS A 38 2.474 -19.937 6.036 1.00 0.00 C ATOM 628 NE2 HIS A 38 2.697 -19.409 7.221 1.00 0.00 N ATOM 0 H HIS A 38 -0.245 -15.018 3.966 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.045 -17.815 3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.697 -16.194 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.769 -15.999 6.124 1.00 0.00 H new ATOM 0 HD1 HIS A 38 1.594 -19.264 4.257 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.191 -17.407 7.952 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.750 -20.944 5.759 1.00 0.00 H new ATOM 636 N LYS A 39 -2.050 -16.648 6.183 1.00 0.00 N ATOM 637 CA LYS A 39 -3.142 -17.049 7.065 1.00 0.00 C ATOM 638 C LYS A 39 -4.282 -17.660 6.256 1.00 0.00 C ATOM 639 O LYS A 39 -4.897 -18.640 6.682 1.00 0.00 O ATOM 640 CB LYS A 39 -3.632 -15.847 7.883 1.00 0.00 C ATOM 641 CG LYS A 39 -4.616 -16.202 9.000 1.00 0.00 C ATOM 642 CD LYS A 39 -3.965 -17.072 10.079 1.00 0.00 C ATOM 643 CE LYS A 39 -4.963 -17.435 11.157 1.00 0.00 C ATOM 644 NZ LYS A 39 -4.330 -18.325 12.175 1.00 0.00 N ATOM 0 H LYS A 39 -1.894 -15.641 6.130 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.775 -17.806 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.769 -15.345 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.107 -15.134 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.997 -15.287 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.472 -16.728 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.566 -17.980 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.123 -16.540 10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.335 -16.530 11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.823 -17.935 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.718 -18.108 13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.528 -19.318 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.302 -18.169 12.181 1.00 0.00 H new ATOM 658 N ALA A 40 -4.557 -17.109 5.079 1.00 0.00 N ATOM 659 CA ALA A 40 -5.587 -17.667 4.207 1.00 0.00 C ATOM 660 C ALA A 40 -5.181 -19.092 3.851 1.00 0.00 C ATOM 661 O ALA A 40 -6.032 -19.978 3.814 1.00 0.00 O ATOM 662 CB ALA A 40 -5.784 -16.812 2.940 1.00 0.00 C ATOM 0 H ALA A 40 -4.086 -16.284 4.708 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.545 -17.669 4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.558 -17.259 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.085 -15.804 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.849 -16.768 2.382 1.00 0.00 H new ATOM 668 N GLN A 41 -3.902 -19.356 3.620 1.00 0.00 N ATOM 669 CA GLN A 41 -3.517 -20.759 3.470 1.00 0.00 C ATOM 670 C GLN A 41 -3.788 -21.497 4.807 1.00 0.00 C ATOM 671 O GLN A 41 -4.590 -22.439 4.866 1.00 0.00 O ATOM 672 CB GLN A 41 -2.021 -20.900 3.138 1.00 0.00 C ATOM 673 CG GLN A 41 -1.559 -20.223 1.859 1.00 0.00 C ATOM 674 CD GLN A 41 -0.062 -20.370 1.673 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.730 -19.884 2.471 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.333 -21.048 0.630 1.00 0.00 N ATOM 0 H GLN A 41 -3.153 -18.669 3.536 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.099 -21.186 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.444 -20.495 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.782 -21.961 3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.079 -20.658 1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.823 -19.166 1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.354 -21.439 -0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.329 -21.187 0.459 1.00 0.00 H new ATOM 685 N GLU A 42 -3.127 -21.038 5.865 1.00 0.00 N ATOM 686 CA GLU A 42 -3.101 -21.716 7.169 1.00 0.00 C ATOM 687 C GLU A 42 -4.453 -22.177 7.685 1.00 0.00 C ATOM 688 O GLU A 42 -4.599 -23.345 8.054 1.00 0.00 O ATOM 689 CB GLU A 42 -2.436 -20.805 8.211 1.00 0.00 C ATOM 690 CG GLU A 42 -2.171 -21.476 9.560 1.00 0.00 C ATOM 691 CD GLU A 42 -2.932 -20.806 10.699 1.00 0.00 C ATOM 692 OE1 GLU A 42 -2.288 -20.278 11.627 1.00 0.00 O ATOM 693 OE2 GLU A 42 -4.179 -20.792 10.670 1.00 0.00 O ATOM 0 H GLU A 42 -2.585 -20.174 5.847 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.525 -22.627 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.491 -20.442 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.070 -19.933 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.457 -22.526 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.103 -21.448 9.774 1.00 0.00 H new ATOM 700 N GLU A 43 -5.446 -21.303 7.710 1.00 0.00 N ATOM 701 CA GLU A 43 -6.766 -21.732 8.155 1.00 0.00 C ATOM 702 C GLU A 43 -7.704 -22.114 7.005 1.00 0.00 C ATOM 703 O GLU A 43 -8.512 -23.032 7.162 1.00 0.00 O ATOM 704 CB GLU A 43 -7.431 -20.693 9.079 1.00 0.00 C ATOM 705 CG GLU A 43 -7.543 -19.286 8.522 1.00 0.00 C ATOM 706 CD GLU A 43 -8.428 -18.390 9.379 1.00 0.00 C ATOM 707 OE1 GLU A 43 -9.592 -18.766 9.642 1.00 0.00 O ATOM 708 OE2 GLU A 43 -7.968 -17.301 9.777 1.00 0.00 O ATOM 0 H GLU A 43 -5.372 -20.323 7.438 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.592 -22.641 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.432 -21.045 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.867 -20.650 10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.548 -18.847 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.947 -19.330 7.510 1.00 0.00 H new ATOM 715 N HIS A 44 -7.644 -21.420 5.870 1.00 0.00 N ATOM 716 CA HIS A 44 -8.664 -21.645 4.820 1.00 0.00 C ATOM 717 C HIS A 44 -8.280 -22.593 3.707 1.00 0.00 C ATOM 718 O HIS A 44 -9.134 -23.322 3.228 1.00 0.00 O ATOM 719 CB HIS A 44 -9.176 -20.325 4.225 1.00 0.00 C ATOM 720 CG HIS A 44 -9.697 -19.371 5.253 1.00 0.00 C ATOM 721 ND1 HIS A 44 -10.609 -19.733 6.249 1.00 0.00 N ATOM 722 CD2 HIS A 44 -9.443 -18.055 5.481 1.00 0.00 C ATOM 723 CE1 HIS A 44 -10.854 -18.674 7.008 1.00 0.00 C ATOM 724 NE2 HIS A 44 -10.163 -17.658 6.565 1.00 0.00 N ATOM 0 H HIS A 44 -6.934 -20.722 5.648 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.463 -22.149 5.364 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.367 -19.846 3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.967 -20.542 3.507 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.781 -17.430 4.900 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.520 -18.654 7.858 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.163 -16.720 6.966 1.00 0.00 H new ATOM 732 N ARG A 45 -7.015 -22.572 3.299 1.00 0.00 N ATOM 733 CA ARG A 45 -6.481 -23.445 2.228 1.00 0.00 C ATOM 734 C ARG A 45 -7.450 -23.660 1.057 1.00 0.00 C ATOM 735 O ARG A 45 -7.721 -24.788 0.652 1.00 0.00 O ATOM 736 CB ARG A 45 -5.981 -24.792 2.804 1.00 0.00 C ATOM 737 CG ARG A 45 -7.018 -25.623 3.567 1.00 0.00 C ATOM 738 CD ARG A 45 -6.373 -26.769 4.310 1.00 0.00 C ATOM 739 NE ARG A 45 -7.094 -27.007 5.573 1.00 0.00 N ATOM 740 CZ ARG A 45 -6.922 -26.302 6.688 1.00 0.00 C ATOM 741 NH1 ARG A 45 -6.066 -25.319 6.758 1.00 0.00 N ATOM 742 NH2 ARG A 45 -7.627 -26.590 7.745 1.00 0.00 N ATOM 0 H ARG A 45 -6.315 -21.947 3.699 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.631 -22.910 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.595 -25.395 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.144 -24.590 3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.550 -24.984 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.759 -26.012 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.389 -27.669 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.327 -26.541 4.514 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.774 -27.767 5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.505 -25.072 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.958 -24.798 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.305 -27.351 7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.501 -26.054 8.604 1.00 0.00 H new ATOM 756 N THR A 46 -7.952 -22.557 0.516 1.00 0.00 N ATOM 757 CA THR A 46 -8.842 -22.588 -0.641 1.00 0.00 C ATOM 758 C THR A 46 -8.089 -23.200 -1.826 1.00 0.00 C ATOM 759 O THR A 46 -6.887 -23.396 -1.740 1.00 0.00 O ATOM 760 CB THR A 46 -9.274 -21.155 -0.972 1.00 0.00 C ATOM 761 OG1 THR A 46 -8.124 -20.389 -1.336 1.00 0.00 O ATOM 762 CG2 THR A 46 -9.899 -20.496 0.260 1.00 0.00 C ATOM 0 H THR A 46 -7.756 -21.619 0.864 1.00 0.00 H new ATOM 0 HA THR A 46 -9.726 -23.189 -0.428 1.00 0.00 H new ATOM 0 HB THR A 46 -9.996 -21.189 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.185 -19.497 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.202 -19.478 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.771 -21.068 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.169 -20.471 1.069 1.00 0.00 H new ATOM 770 N VAL A 47 -8.771 -23.492 -2.929 1.00 0.00 N ATOM 771 CA VAL A 47 -8.126 -24.131 -4.101 1.00 0.00 C ATOM 772 C VAL A 47 -6.832 -23.423 -4.544 1.00 0.00 C ATOM 773 O VAL A 47 -5.893 -24.061 -5.038 1.00 0.00 O ATOM 774 CB VAL A 47 -9.137 -24.215 -5.296 1.00 0.00 C ATOM 775 CG1 VAL A 47 -8.476 -24.772 -6.576 1.00 0.00 C ATOM 776 CG2 VAL A 47 -10.309 -25.117 -4.915 1.00 0.00 C ATOM 0 H VAL A 47 -9.766 -23.303 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.838 -25.135 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.482 -23.202 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.213 -24.813 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.653 -24.122 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.095 -25.775 -6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.010 -25.174 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.939 -26.116 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.815 -24.706 -4.041 1.00 0.00 H new ATOM 786 N GLU A 48 -6.754 -22.116 -4.345 1.00 0.00 N ATOM 787 CA GLU A 48 -5.557 -21.362 -4.710 1.00 0.00 C ATOM 788 C GLU A 48 -4.302 -21.788 -3.932 1.00 0.00 C ATOM 789 O GLU A 48 -3.203 -21.461 -4.341 1.00 0.00 O ATOM 790 CB GLU A 48 -5.793 -19.865 -4.513 1.00 0.00 C ATOM 791 CG GLU A 48 -6.949 -19.329 -5.346 1.00 0.00 C ATOM 792 CD GLU A 48 -6.864 -17.824 -5.554 1.00 0.00 C ATOM 793 OE1 GLU A 48 -6.364 -17.113 -4.653 1.00 0.00 O ATOM 794 OE2 GLU A 48 -7.287 -17.353 -6.629 1.00 0.00 O ATOM 0 H GLU A 48 -7.500 -21.554 -3.935 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.370 -21.583 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.991 -19.670 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.884 -19.323 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.957 -19.827 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.891 -19.573 -4.855 1.00 0.00 H new ATOM 801 N VAL A 49 -4.449 -22.527 -2.836 1.00 0.00 N ATOM 802 CA VAL A 49 -3.295 -22.986 -2.041 1.00 0.00 C ATOM 803 C VAL A 49 -2.371 -23.889 -2.872 1.00 0.00 C ATOM 804 O VAL A 49 -1.171 -23.960 -2.625 1.00 0.00 O ATOM 805 CB VAL A 49 -3.764 -23.728 -0.730 1.00 0.00 C ATOM 806 CG1 VAL A 49 -4.296 -25.147 -1.025 1.00 0.00 C ATOM 807 CG2 VAL A 49 -2.626 -23.806 0.296 1.00 0.00 C ATOM 0 H VAL A 49 -5.354 -22.825 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.729 -22.102 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.582 -23.140 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.607 -25.620 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.148 -25.083 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.509 -25.742 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.977 -24.322 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.786 -24.353 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.305 -22.798 0.561 1.00 0.00 H new ATOM 817 N GLU A 50 -2.927 -24.565 -3.867 1.00 0.00 N ATOM 818 CA GLU A 50 -2.144 -25.433 -4.747 1.00 0.00 C ATOM 819 C GLU A 50 -1.372 -24.576 -5.756 1.00 0.00 C ATOM 820 O GLU A 50 -0.332 -24.969 -6.280 1.00 0.00 O ATOM 821 CB GLU A 50 -3.107 -26.373 -5.497 1.00 0.00 C ATOM 822 CG GLU A 50 -2.428 -27.431 -6.372 1.00 0.00 C ATOM 823 CD GLU A 50 -3.428 -28.224 -7.205 1.00 0.00 C ATOM 824 OE1 GLU A 50 -4.092 -27.618 -8.081 1.00 0.00 O ATOM 825 OE2 GLU A 50 -3.546 -29.448 -6.998 1.00 0.00 O ATOM 0 H GLU A 50 -3.922 -24.531 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.436 -26.018 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.740 -26.878 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.763 -25.771 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.711 -26.945 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.864 -28.115 -5.738 1.00 0.00 H new ATOM 832 N LYS A 51 -1.915 -23.401 -6.034 1.00 0.00 N ATOM 833 CA LYS A 51 -1.432 -22.545 -7.117 1.00 0.00 C ATOM 834 C LYS A 51 -1.008 -21.159 -6.650 1.00 0.00 C ATOM 835 O LYS A 51 -1.009 -20.219 -7.439 1.00 0.00 O ATOM 836 CB LYS A 51 -2.556 -22.418 -8.156 1.00 0.00 C ATOM 837 CG LYS A 51 -3.044 -23.774 -8.677 1.00 0.00 C ATOM 838 CD LYS A 51 -4.323 -23.665 -9.472 1.00 0.00 C ATOM 839 CE LYS A 51 -4.883 -25.064 -9.681 1.00 0.00 C ATOM 840 NZ LYS A 51 -6.204 -25.082 -10.372 1.00 0.00 N ATOM 0 H LYS A 51 -2.703 -23.010 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.540 -23.009 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.395 -21.882 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.202 -21.818 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.269 -24.219 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.201 -24.448 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.045 -23.043 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.132 -23.186 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.170 -25.648 -10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.982 -25.555 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.525 -26.065 -10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.898 -24.551 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.111 -24.642 -11.310 1.00 0.00 H new ATOM 854 N VAL A 52 -0.639 -21.025 -5.383 1.00 0.00 N ATOM 855 CA VAL A 52 -0.222 -19.721 -4.851 1.00 0.00 C ATOM 856 C VAL A 52 1.000 -19.176 -5.580 1.00 0.00 C ATOM 857 O VAL A 52 1.107 -17.974 -5.753 1.00 0.00 O ATOM 858 CB VAL A 52 0.119 -19.755 -3.320 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.141 -19.510 -2.461 1.00 0.00 C ATOM 860 CG2 VAL A 52 0.785 -21.086 -2.925 1.00 0.00 C ATOM 0 H VAL A 52 -0.617 -21.788 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.085 -19.074 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 52 0.827 -18.949 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.873 -19.539 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.561 -18.533 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.880 -20.284 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.009 -21.078 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.109 -21.911 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.709 -21.212 -3.489 1.00 0.00 H new ATOM 870 N HIS A 53 1.915 -20.058 -5.991 1.00 0.00 N ATOM 871 CA HIS A 53 3.165 -19.651 -6.659 1.00 0.00 C ATOM 872 C HIS A 53 3.817 -18.531 -5.847 1.00 0.00 C ATOM 873 O HIS A 53 4.082 -17.459 -6.373 1.00 0.00 O ATOM 874 CB HIS A 53 2.904 -19.163 -8.095 1.00 0.00 C ATOM 875 CG HIS A 53 2.456 -20.241 -9.030 1.00 0.00 C ATOM 876 ND1 HIS A 53 1.151 -20.611 -9.221 1.00 0.00 N ATOM 877 CD2 HIS A 53 3.175 -21.043 -9.863 1.00 0.00 C ATOM 878 CE1 HIS A 53 1.121 -21.584 -10.124 1.00 0.00 C ATOM 879 NE2 HIS A 53 2.328 -21.883 -10.557 1.00 0.00 N ATOM 0 H HIS A 53 1.817 -21.067 -5.874 1.00 0.00 H new ATOM 0 HA HIS A 53 3.826 -20.516 -6.716 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.147 -18.380 -8.070 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.816 -18.712 -8.486 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.341 -20.208 -8.750 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.250 -21.024 -9.966 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.218 -22.070 -10.462 1.00 0.00 H new ATOM 887 N LEU A 54 4.044 -18.790 -4.563 1.00 0.00 N ATOM 888 CA LEU A 54 4.512 -17.771 -3.610 1.00 0.00 C ATOM 889 C LEU A 54 5.573 -16.789 -4.106 1.00 0.00 C ATOM 890 O LEU A 54 5.460 -15.622 -3.820 1.00 0.00 O ATOM 891 CB LEU A 54 5.007 -18.437 -2.320 1.00 0.00 C ATOM 892 CG LEU A 54 3.935 -19.114 -1.445 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.611 -19.862 -0.299 1.00 0.00 C ATOM 894 CD2 LEU A 54 2.936 -18.099 -0.874 1.00 0.00 C ATOM 0 H LEU A 54 3.911 -19.711 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 54 3.626 -17.158 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.753 -19.185 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.513 -17.682 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 54 3.381 -19.809 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.853 -20.341 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.281 -20.620 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.183 -19.159 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.198 -18.619 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.467 -17.372 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.432 -17.584 -1.692 1.00 0.00 H new ATOM 906 N GLU A 55 6.583 -17.225 -4.846 1.00 0.00 N ATOM 907 CA GLU A 55 7.584 -16.278 -5.362 1.00 0.00 C ATOM 908 C GLU A 55 6.908 -15.220 -6.242 1.00 0.00 C ATOM 909 O GLU A 55 7.061 -14.020 -6.017 1.00 0.00 O ATOM 910 CB GLU A 55 8.666 -17.025 -6.156 1.00 0.00 C ATOM 911 CG GLU A 55 9.730 -16.114 -6.820 1.00 0.00 C ATOM 912 CD GLU A 55 9.354 -15.665 -8.242 1.00 0.00 C ATOM 913 OE1 GLU A 55 8.719 -16.454 -8.974 1.00 0.00 O ATOM 914 OE2 GLU A 55 9.704 -14.525 -8.630 1.00 0.00 O ATOM 0 H GLU A 55 6.737 -18.200 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 55 8.059 -15.777 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.171 -17.722 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.183 -17.620 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.881 -15.232 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.681 -16.646 -6.855 1.00 0.00 H new ATOM 921 N LYS A 56 6.146 -15.672 -7.228 1.00 0.00 N ATOM 922 CA LYS A 56 5.453 -14.774 -8.154 1.00 0.00 C ATOM 923 C LYS A 56 4.421 -13.937 -7.426 1.00 0.00 C ATOM 924 O LYS A 56 4.220 -12.772 -7.748 1.00 0.00 O ATOM 925 CB LYS A 56 4.730 -15.576 -9.238 1.00 0.00 C ATOM 926 CG LYS A 56 5.650 -16.420 -10.120 1.00 0.00 C ATOM 927 CD LYS A 56 4.862 -17.249 -11.139 1.00 0.00 C ATOM 928 CE LYS A 56 4.233 -16.382 -12.231 1.00 0.00 C ATOM 929 NZ LYS A 56 3.434 -17.220 -13.188 1.00 0.00 N ATOM 0 H LYS A 56 5.988 -16.663 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 56 6.207 -14.126 -8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.001 -16.232 -8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.172 -14.886 -9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.348 -15.768 -10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.244 -17.085 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.525 -17.983 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.079 -17.805 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.590 -15.628 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.014 -15.849 -12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.017 -16.609 -13.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.056 -17.923 -13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.675 -17.709 -12.671 1.00 0.00 H new ATOM 943 N LYS A 57 3.756 -14.535 -6.451 1.00 0.00 N ATOM 944 CA LYS A 57 2.718 -13.832 -5.709 1.00 0.00 C ATOM 945 C LYS A 57 3.306 -12.739 -4.846 1.00 0.00 C ATOM 946 O LYS A 57 2.829 -11.618 -4.881 1.00 0.00 O ATOM 947 CB LYS A 57 1.916 -14.810 -4.858 1.00 0.00 C ATOM 948 CG LYS A 57 0.763 -14.178 -4.096 1.00 0.00 C ATOM 949 CD LYS A 57 -0.209 -13.467 -5.028 1.00 0.00 C ATOM 950 CE LYS A 57 -1.537 -13.255 -4.360 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.587 -12.161 -3.324 1.00 0.00 N ATOM 0 H LYS A 57 3.913 -15.498 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 57 2.048 -13.365 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.522 -15.596 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.588 -15.289 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.232 -14.948 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.155 -13.467 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.208 -12.506 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.344 -14.055 -5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.277 -13.034 -5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.837 -14.190 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.442 -12.272 -2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.745 -12.220 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.608 -11.235 -3.797 1.00 0.00 H new ATOM 965 N LEU A 58 4.352 -13.058 -4.096 1.00 0.00 N ATOM 966 CA LEU A 58 5.024 -12.068 -3.261 1.00 0.00 C ATOM 967 C LEU A 58 5.500 -10.964 -4.178 1.00 0.00 C ATOM 968 O LEU A 58 5.320 -9.792 -3.904 1.00 0.00 O ATOM 969 CB LEU A 58 6.236 -12.683 -2.544 1.00 0.00 C ATOM 970 CG LEU A 58 5.955 -13.603 -1.346 1.00 0.00 C ATOM 971 CD1 LEU A 58 7.199 -14.441 -1.036 1.00 0.00 C ATOM 972 CD2 LEU A 58 5.570 -12.801 -0.124 1.00 0.00 C ATOM 0 H LEU A 58 4.755 -13.994 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 58 4.337 -11.696 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.809 -13.250 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.874 -11.868 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 58 5.123 -14.257 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.996 -15.092 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.455 -15.047 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.032 -13.780 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.377 -13.477 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.384 -12.125 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.672 -12.222 -0.337 1.00 0.00 H new ATOM 984 N ARG A 59 6.101 -11.355 -5.290 1.00 0.00 N ATOM 985 CA ARG A 59 6.631 -10.395 -6.249 1.00 0.00 C ATOM 986 C ARG A 59 5.569 -9.414 -6.740 1.00 0.00 C ATOM 987 O ARG A 59 5.834 -8.221 -6.794 1.00 0.00 O ATOM 988 CB ARG A 59 7.250 -11.177 -7.404 1.00 0.00 C ATOM 989 CG ARG A 59 8.086 -10.407 -8.383 1.00 0.00 C ATOM 990 CD ARG A 59 8.841 -11.447 -9.191 1.00 0.00 C ATOM 991 NE ARG A 59 9.705 -10.889 -10.240 1.00 0.00 N ATOM 992 CZ ARG A 59 10.573 -11.600 -10.952 1.00 0.00 C ATOM 993 NH1 ARG A 59 10.756 -12.884 -10.760 1.00 0.00 N ATOM 994 NH2 ARG A 59 11.274 -11.004 -11.878 1.00 0.00 N ATOM 0 H ARG A 59 6.235 -12.331 -5.553 1.00 0.00 H new ATOM 0 HA ARG A 59 7.389 -9.782 -5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.868 -11.970 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.443 -11.660 -7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.462 -9.788 -9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.774 -9.737 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.452 -12.043 -8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.122 -12.124 -9.651 1.00 0.00 H new ATOM 0 HE ARG A 59 9.634 -9.890 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.222 -13.374 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.433 -13.393 -11.329 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.152 -10.006 -12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.944 -11.537 -12.433 1.00 0.00 H new ATOM 1008 N ASP A 60 4.381 -9.890 -7.088 1.00 0.00 N ATOM 1009 CA ASP A 60 3.330 -8.997 -7.597 1.00 0.00 C ATOM 1010 C ASP A 60 2.560 -8.233 -6.520 1.00 0.00 C ATOM 1011 O ASP A 60 2.215 -7.079 -6.718 1.00 0.00 O ATOM 1012 CB ASP A 60 2.312 -9.760 -8.440 1.00 0.00 C ATOM 1013 CG ASP A 60 1.403 -8.817 -9.223 1.00 0.00 C ATOM 1014 OD1 ASP A 60 1.942 -7.966 -9.969 1.00 0.00 O ATOM 1015 OD2 ASP A 60 0.159 -8.911 -9.093 1.00 0.00 O ATOM 0 H ASP A 60 4.116 -10.873 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 60 3.877 -8.268 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.835 -10.419 -9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.706 -10.394 -7.793 1.00 0.00 H new ATOM 1020 N GLU A 61 2.276 -8.857 -5.387 1.00 0.00 N ATOM 1021 CA GLU A 61 1.506 -8.184 -4.335 1.00 0.00 C ATOM 1022 C GLU A 61 2.369 -7.048 -3.741 1.00 0.00 C ATOM 1023 O GLU A 61 1.916 -5.906 -3.549 1.00 0.00 O ATOM 1024 CB GLU A 61 1.026 -9.220 -3.295 1.00 0.00 C ATOM 1025 CG GLU A 61 2.082 -9.698 -2.298 1.00 0.00 C ATOM 1026 CD GLU A 61 1.657 -10.919 -1.499 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.409 -11.278 -0.566 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.595 -11.525 -1.792 1.00 0.00 O ATOM 0 H GLU A 61 2.558 -9.812 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 61 0.602 -7.723 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.195 -8.789 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.636 -10.088 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.001 -9.929 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.313 -8.886 -1.609 1.00 0.00 H new ATOM 1035 N ILE A 62 3.637 -7.346 -3.504 1.00 0.00 N ATOM 1036 CA ILE A 62 4.585 -6.343 -3.080 1.00 0.00 C ATOM 1037 C ILE A 62 4.751 -5.326 -4.209 1.00 0.00 C ATOM 1038 O ILE A 62 4.914 -4.152 -3.942 1.00 0.00 O ATOM 1039 CB ILE A 62 5.949 -6.981 -2.688 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.763 -7.883 -1.444 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.973 -5.897 -2.414 1.00 0.00 C ATOM 1042 CD1 ILE A 62 6.980 -8.776 -1.102 1.00 0.00 C ATOM 0 H ILE A 62 4.029 -8.283 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 62 4.210 -5.841 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 62 6.311 -7.593 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.541 -7.251 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.894 -8.522 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.924 -6.355 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.107 -5.289 -3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.625 -5.267 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.757 -9.372 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.192 -9.438 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.849 -8.148 -0.907 1.00 0.00 H new ATOM 1054 N ASN A 63 4.691 -5.736 -5.473 1.00 0.00 N ATOM 1055 CA ASN A 63 4.786 -4.755 -6.564 1.00 0.00 C ATOM 1056 C ASN A 63 3.585 -3.808 -6.555 1.00 0.00 C ATOM 1057 O ASN A 63 3.719 -2.632 -6.865 1.00 0.00 O ATOM 1058 CB ASN A 63 4.881 -5.425 -7.935 1.00 0.00 C ATOM 1059 CG ASN A 63 5.136 -4.440 -9.031 1.00 0.00 C ATOM 1060 OD1 ASN A 63 6.069 -3.645 -8.956 1.00 0.00 O ATOM 1061 ND2 ASN A 63 4.332 -4.482 -10.055 1.00 0.00 N ATOM 0 H ASN A 63 4.581 -6.706 -5.767 1.00 0.00 H new ATOM 0 HA ASN A 63 5.702 -4.190 -6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.681 -6.165 -7.921 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.955 -5.962 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.465 -3.838 -10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.569 -5.159 -10.077 1.00 0.00 H new ATOM 1068 N LEU A 64 2.419 -4.314 -6.190 1.00 0.00 N ATOM 1069 CA LEU A 64 1.220 -3.491 -6.068 1.00 0.00 C ATOM 1070 C LEU A 64 1.380 -2.525 -4.903 1.00 0.00 C ATOM 1071 O LEU A 64 1.138 -1.319 -5.035 1.00 0.00 O ATOM 1072 CB LEU A 64 0.012 -4.389 -5.817 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.303 -3.674 -5.513 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.869 -3.006 -6.762 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.246 -4.704 -4.941 1.00 0.00 C ATOM 0 H LEU A 64 2.273 -5.299 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 64 1.073 -2.928 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.135 -5.020 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.244 -5.051 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.151 -2.870 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.805 -2.505 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.154 -2.274 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.053 -3.761 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.201 -4.233 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.401 -5.500 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.818 -5.124 -4.031 1.00 0.00 H new ATOM 1087 N ALA A 65 1.801 -3.048 -3.762 1.00 0.00 N ATOM 1088 CA ALA A 65 2.011 -2.201 -2.591 1.00 0.00 C ATOM 1089 C ALA A 65 3.117 -1.159 -2.873 1.00 0.00 C ATOM 1090 O ALA A 65 3.080 -0.019 -2.402 1.00 0.00 O ATOM 1091 CB ALA A 65 2.361 -3.063 -1.412 1.00 0.00 C ATOM 0 H ALA A 65 2.002 -4.038 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 65 1.095 -1.655 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.519 -2.434 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.546 -3.760 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.272 -3.621 -1.627 1.00 0.00 H new ATOM 1097 N LYS A 66 4.096 -1.547 -3.678 1.00 0.00 N ATOM 1098 CA LYS A 66 5.150 -0.629 -4.106 1.00 0.00 C ATOM 1099 C LYS A 66 4.584 0.476 -4.972 1.00 0.00 C ATOM 1100 O LYS A 66 5.093 1.570 -4.931 1.00 0.00 O ATOM 1101 CB LYS A 66 6.237 -1.354 -4.896 1.00 0.00 C ATOM 1102 CG LYS A 66 7.314 -1.991 -4.025 1.00 0.00 C ATOM 1103 CD LYS A 66 8.152 -3.014 -4.805 1.00 0.00 C ATOM 1104 CE LYS A 66 8.898 -2.392 -5.990 1.00 0.00 C ATOM 1105 NZ LYS A 66 8.300 -2.816 -7.310 1.00 0.00 N ATOM 0 H LYS A 66 4.185 -2.492 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 66 5.585 -0.205 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.773 -2.128 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.708 -0.648 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.967 -1.213 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.847 -2.481 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.873 -3.476 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.501 -3.809 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.868 -1.305 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.947 -2.686 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.469 -2.076 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.742 -3.704 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.276 -2.960 -7.197 1.00 0.00 H new ATOM 1119 N GLN A 67 3.541 0.210 -5.745 1.00 0.00 N ATOM 1120 CA GLN A 67 2.927 1.261 -6.560 1.00 0.00 C ATOM 1121 C GLN A 67 2.182 2.203 -5.623 1.00 0.00 C ATOM 1122 O GLN A 67 2.288 3.415 -5.765 1.00 0.00 O ATOM 1123 CB GLN A 67 1.989 0.679 -7.621 1.00 0.00 C ATOM 1124 CG GLN A 67 2.735 -0.017 -8.750 1.00 0.00 C ATOM 1125 CD GLN A 67 1.826 -0.860 -9.611 1.00 0.00 C ATOM 1126 OE1 GLN A 67 1.123 -0.361 -10.471 1.00 0.00 O ATOM 1127 NE2 GLN A 67 1.845 -2.146 -9.387 1.00 0.00 N ATOM 0 H GLN A 67 3.104 -0.708 -5.829 1.00 0.00 H new ATOM 0 HA GLN A 67 3.701 1.804 -7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.310 -0.031 -7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.376 1.479 -8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.227 0.731 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.518 -0.647 -8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.447 -2.528 -8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.258 -2.769 -9.941 1.00 0.00 H new ATOM 1136 N GLU A 68 1.464 1.657 -4.649 1.00 0.00 N ATOM 1137 CA GLU A 68 0.851 2.489 -3.602 1.00 0.00 C ATOM 1138 C GLU A 68 1.932 3.366 -2.913 1.00 0.00 C ATOM 1139 O GLU A 68 1.818 4.605 -2.840 1.00 0.00 O ATOM 1140 CB GLU A 68 0.176 1.571 -2.572 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.691 2.275 -1.556 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.147 1.337 -0.437 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.692 1.838 0.570 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -0.951 0.106 -0.557 1.00 0.00 O ATOM 0 H GLU A 68 1.289 0.656 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 68 0.107 3.150 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.434 0.841 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.949 1.014 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.138 3.110 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.565 2.695 -2.055 1.00 0.00 H new ATOM 1151 N ALA A 69 2.992 2.727 -2.427 1.00 0.00 N ATOM 1152 CA ALA A 69 4.077 3.443 -1.744 1.00 0.00 C ATOM 1153 C ALA A 69 4.743 4.491 -2.652 1.00 0.00 C ATOM 1154 O ALA A 69 5.071 5.604 -2.216 1.00 0.00 O ATOM 1155 CB ALA A 69 5.120 2.435 -1.243 1.00 0.00 C ATOM 0 H ALA A 69 3.127 1.718 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 69 3.644 3.979 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.925 2.966 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.650 1.740 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.527 1.882 -2.089 1.00 0.00 H new ATOM 1161 N GLN A 70 4.932 4.138 -3.916 1.00 0.00 N ATOM 1162 CA GLN A 70 5.524 5.044 -4.890 1.00 0.00 C ATOM 1163 C GLN A 70 4.619 6.245 -5.047 1.00 0.00 C ATOM 1164 O GLN A 70 5.099 7.356 -5.145 1.00 0.00 O ATOM 1165 CB GLN A 70 5.703 4.358 -6.249 1.00 0.00 C ATOM 1166 CG GLN A 70 6.399 5.225 -7.290 1.00 0.00 C ATOM 1167 CD GLN A 70 6.439 4.562 -8.646 1.00 0.00 C ATOM 1168 OE1 GLN A 70 7.118 3.562 -8.844 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.724 5.116 -9.586 1.00 0.00 N ATOM 0 H GLN A 70 4.682 3.224 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 70 6.508 5.349 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.278 3.442 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.724 4.066 -6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.882 6.181 -7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.416 5.439 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.171 5.949 -9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.718 4.717 -10.524 1.00 0.00 H new ATOM 1178 N ARG A 71 3.313 6.035 -5.058 1.00 0.00 N ATOM 1179 CA ARG A 71 2.384 7.150 -5.189 1.00 0.00 C ATOM 1180 C ARG A 71 2.464 8.058 -3.971 1.00 0.00 C ATOM 1181 O ARG A 71 2.398 9.281 -4.105 1.00 0.00 O ATOM 1182 CB ARG A 71 0.954 6.642 -5.388 1.00 0.00 C ATOM 1183 CG ARG A 71 -0.024 7.736 -5.765 1.00 0.00 C ATOM 1184 CD ARG A 71 0.267 8.289 -7.157 1.00 0.00 C ATOM 1185 NE ARG A 71 -0.671 9.361 -7.516 1.00 0.00 N ATOM 1186 CZ ARG A 71 -0.660 10.035 -8.655 1.00 0.00 C ATOM 1187 NH1 ARG A 71 0.214 9.803 -9.600 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -1.558 10.953 -8.845 1.00 0.00 N ATOM 0 H ARG A 71 2.875 5.117 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 71 2.666 7.729 -6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.952 5.879 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.615 6.162 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.041 7.344 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.030 8.542 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.288 8.670 -7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.201 7.485 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.388 9.605 -6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.922 9.080 -9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.188 10.346 -10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.254 11.143 -8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.568 11.484 -9.716 1.00 0.00 H new ATOM 1202 N LEU A 72 2.627 7.487 -2.784 1.00 0.00 N ATOM 1203 CA LEU A 72 2.752 8.307 -1.586 1.00 0.00 C ATOM 1204 C LEU A 72 4.063 9.107 -1.694 1.00 0.00 C ATOM 1205 O LEU A 72 4.116 10.301 -1.374 1.00 0.00 O ATOM 1206 CB LEU A 72 2.635 7.423 -0.349 1.00 0.00 C ATOM 1207 CG LEU A 72 1.152 7.002 -0.222 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.988 5.569 0.227 1.00 0.00 C ATOM 1209 CD2 LEU A 72 0.410 7.928 0.728 1.00 0.00 C ATOM 0 H LEU A 72 2.675 6.480 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 72 1.946 9.035 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.277 6.547 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.959 7.963 0.541 1.00 0.00 H new ATOM 0 HG LEU A 72 0.722 7.082 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.073 5.329 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.462 4.905 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.456 5.437 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.631 7.614 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.874 7.886 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.455 8.949 0.350 1.00 0.00 H new ATOM 1221 N LYS A 73 5.115 8.465 -2.190 1.00 0.00 N ATOM 1222 CA LYS A 73 6.401 9.148 -2.420 1.00 0.00 C ATOM 1223 C LYS A 73 6.287 10.254 -3.491 1.00 0.00 C ATOM 1224 O LYS A 73 6.863 11.333 -3.333 1.00 0.00 O ATOM 1225 CB LYS A 73 7.460 8.109 -2.828 1.00 0.00 C ATOM 1226 CG LYS A 73 8.866 8.670 -3.057 1.00 0.00 C ATOM 1227 CD LYS A 73 9.130 8.928 -4.544 1.00 0.00 C ATOM 1228 CE LYS A 73 10.551 9.414 -4.773 1.00 0.00 C ATOM 1229 NZ LYS A 73 10.784 9.696 -6.227 1.00 0.00 N ATOM 0 H LYS A 73 5.112 7.477 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 73 6.699 9.636 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.513 7.344 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.129 7.616 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.984 9.599 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.606 7.969 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.960 8.012 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.424 9.670 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.731 10.316 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.259 8.662 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.624 10.300 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.935 8.801 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.955 10.183 -6.623 1.00 0.00 H new ATOM 1243 N GLU A 74 5.543 9.986 -4.555 1.00 0.00 N ATOM 1244 CA GLU A 74 5.351 10.941 -5.655 1.00 0.00 C ATOM 1245 C GLU A 74 4.703 12.211 -5.139 1.00 0.00 C ATOM 1246 O GLU A 74 5.103 13.317 -5.492 1.00 0.00 O ATOM 1247 CB GLU A 74 4.428 10.347 -6.728 1.00 0.00 C ATOM 1248 CG GLU A 74 5.111 9.464 -7.764 1.00 0.00 C ATOM 1249 CD GLU A 74 4.097 8.752 -8.670 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.145 9.406 -9.168 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.248 7.528 -8.877 1.00 0.00 O ATOM 0 H GLU A 74 5.052 9.102 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 74 6.331 11.158 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.653 9.763 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.928 11.165 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.779 10.072 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.729 8.722 -7.258 1.00 0.00 H new ATOM 1258 N LEU A 75 3.702 12.065 -4.289 1.00 0.00 N ATOM 1259 CA LEU A 75 3.049 13.235 -3.735 1.00 0.00 C ATOM 1260 C LEU A 75 3.971 13.897 -2.717 1.00 0.00 C ATOM 1261 O LEU A 75 3.994 15.124 -2.583 1.00 0.00 O ATOM 1262 CB LEU A 75 1.703 12.852 -3.113 1.00 0.00 C ATOM 1263 CG LEU A 75 0.738 13.993 -2.720 1.00 0.00 C ATOM 1264 CD1 LEU A 75 0.974 14.437 -1.299 1.00 0.00 C ATOM 1265 CD2 LEU A 75 0.828 15.211 -3.647 1.00 0.00 C ATOM 0 H LEU A 75 3.331 11.169 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 75 2.846 13.952 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.183 12.201 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.904 12.261 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.264 13.575 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.281 15.241 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.813 13.597 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.998 14.795 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.124 15.974 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.840 15.614 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.583 14.911 -4.666 1.00 0.00 H new ATOM 1277 N ARG A 76 4.758 13.106 -2.003 1.00 0.00 N ATOM 1278 CA ARG A 76 5.689 13.690 -1.035 1.00 0.00 C ATOM 1279 C ARG A 76 6.756 14.573 -1.656 1.00 0.00 C ATOM 1280 O ARG A 76 7.244 15.486 -0.993 1.00 0.00 O ATOM 1281 CB ARG A 76 6.331 12.612 -0.167 1.00 0.00 C ATOM 1282 CG ARG A 76 5.411 12.096 0.931 1.00 0.00 C ATOM 1283 CD ARG A 76 5.261 13.099 2.069 1.00 0.00 C ATOM 1284 NE ARG A 76 4.194 14.083 1.810 1.00 0.00 N ATOM 1285 CZ ARG A 76 4.350 15.395 1.697 1.00 0.00 C ATOM 1286 NH1 ARG A 76 5.518 15.980 1.801 1.00 0.00 N ATOM 1287 NH2 ARG A 76 3.297 16.120 1.474 1.00 0.00 N ATOM 0 H ARG A 76 4.777 12.088 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 76 5.080 14.343 -0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.633 11.778 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.238 13.013 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.430 11.877 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.805 11.159 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.044 12.566 2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.206 13.622 2.217 1.00 0.00 H new ATOM 0 HE ARG A 76 3.246 13.720 1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.354 15.422 1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.591 16.993 1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.382 15.678 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.385 17.132 1.382 1.00 0.00 H new ATOM 1301 N GLU A 77 7.100 14.338 -2.911 1.00 0.00 N ATOM 1302 CA GLU A 77 8.055 15.206 -3.616 1.00 0.00 C ATOM 1303 C GLU A 77 7.299 16.230 -4.487 1.00 0.00 C ATOM 1304 O GLU A 77 7.881 16.908 -5.332 1.00 0.00 O ATOM 1305 CB GLU A 77 9.046 14.363 -4.432 1.00 0.00 C ATOM 1306 CG GLU A 77 8.433 13.573 -5.581 1.00 0.00 C ATOM 1307 CD GLU A 77 9.399 12.555 -6.169 1.00 0.00 C ATOM 1308 OE1 GLU A 77 10.607 12.583 -5.836 1.00 0.00 O ATOM 1309 OE2 GLU A 77 8.952 11.695 -6.962 1.00 0.00 O ATOM 0 H GLU A 77 6.741 13.562 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 77 8.639 15.768 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.814 15.023 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.546 13.666 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.539 13.059 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.116 14.263 -6.363 1.00 0.00 H new ATOM 1316 N GLY A 78 5.995 16.329 -4.250 1.00 0.00 N ATOM 1317 CA GLY A 78 5.125 17.232 -4.991 1.00 0.00 C ATOM 1318 C GLY A 78 5.016 18.657 -4.454 1.00 0.00 C ATOM 1319 O GLY A 78 6.013 19.337 -4.223 1.00 0.00 O ATOM 0 H GLY A 78 5.512 15.783 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.479 17.280 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.125 16.799 -5.018 1.00 0.00 H new ATOM 1323 N THR A 79 3.788 19.132 -4.269 1.00 0.00 N ATOM 1324 CA THR A 79 3.549 20.528 -3.871 1.00 0.00 C ATOM 1325 C THR A 79 2.420 20.662 -2.840 1.00 0.00 C ATOM 1326 O THR A 79 1.628 19.752 -2.655 1.00 0.00 O ATOM 1327 CB THR A 79 3.215 21.386 -5.137 1.00 0.00 C ATOM 1328 OG1 THR A 79 3.154 22.774 -4.791 1.00 0.00 O ATOM 1329 CG2 THR A 79 1.881 20.976 -5.775 1.00 0.00 C ATOM 0 H THR A 79 2.940 18.577 -4.386 1.00 0.00 H new ATOM 0 HA THR A 79 4.461 20.892 -3.398 1.00 0.00 H new ATOM 0 HB THR A 79 4.011 21.210 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.946 23.302 -5.590 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.690 21.598 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.928 19.930 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.076 21.109 -5.052 1.00 0.00 H new ATOM 1337 N GLU A 80 2.355 21.816 -2.178 1.00 0.00 N ATOM 1338 CA GLU A 80 1.311 22.099 -1.181 1.00 0.00 C ATOM 1339 C GLU A 80 0.016 22.570 -1.856 1.00 0.00 C ATOM 1340 O GLU A 80 -1.040 22.647 -1.233 1.00 0.00 O ATOM 1341 CB GLU A 80 1.787 23.199 -0.217 1.00 0.00 C ATOM 1342 CG GLU A 80 1.065 23.167 1.137 1.00 0.00 C ATOM 1343 CD GLU A 80 0.690 24.550 1.697 1.00 0.00 C ATOM 1344 OE1 GLU A 80 0.865 24.755 2.922 1.00 0.00 O ATOM 1345 OE2 GLU A 80 0.206 25.428 0.949 1.00 0.00 O ATOM 0 H GLU A 80 3.017 22.580 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 80 1.116 21.176 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.859 23.091 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.632 24.173 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.157 22.573 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.701 22.657 1.861 1.00 0.00 H new ATOM 1352 N ASN A 81 0.103 22.903 -3.134 1.00 0.00 N ATOM 1353 CA ASN A 81 -1.062 23.406 -3.854 1.00 0.00 C ATOM 1354 C ASN A 81 -2.041 22.307 -4.207 1.00 0.00 C ATOM 1355 O ASN A 81 -1.815 21.548 -5.142 1.00 0.00 O ATOM 1356 CB ASN A 81 -0.648 24.102 -5.155 1.00 0.00 C ATOM 1357 CG ASN A 81 -1.829 24.766 -5.868 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -2.868 24.162 -6.140 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -1.661 26.022 -6.184 1.00 0.00 N ATOM 0 H ASN A 81 0.955 22.836 -3.691 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.545 24.113 -3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.109 24.855 -4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.188 23.373 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.401 26.529 -6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.790 26.496 -5.946 1.00 0.00 H new ATOM 1366 N GLU A 82 -3.147 22.264 -3.487 1.00 0.00 N ATOM 1367 CA GLU A 82 -4.262 21.420 -3.871 1.00 0.00 C ATOM 1368 C GLU A 82 -5.332 22.339 -4.464 1.00 0.00 C ATOM 1369 O GLU A 82 -6.159 22.924 -3.749 1.00 0.00 O ATOM 1370 CB GLU A 82 -4.818 20.621 -2.686 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.065 19.146 -3.004 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.868 18.911 -4.301 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -5.547 17.941 -5.029 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.805 19.694 -4.594 1.00 0.00 O ATOM 0 H GLU A 82 -3.297 22.803 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.934 20.679 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.121 20.692 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.753 21.075 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.105 18.636 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.598 18.689 -2.170 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.702 16.277 -9.360 1.00 0.00 N ATOM 1480 CA TYR A 88 -2.743 15.195 -9.166 1.00 0.00 C ATOM 1481 C TYR A 88 -2.402 14.949 -7.681 1.00 0.00 C ATOM 1482 O TYR A 88 -1.967 13.858 -7.324 1.00 0.00 O ATOM 1483 CB TYR A 88 -1.476 15.585 -9.941 1.00 0.00 C ATOM 1484 CG TYR A 88 -0.281 14.671 -9.766 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -0.077 13.568 -10.621 1.00 0.00 C ATOM 1486 CD2 TYR A 88 0.670 14.914 -8.748 1.00 0.00 C ATOM 1487 CE1 TYR A 88 1.065 12.729 -10.468 1.00 0.00 C ATOM 1488 CE2 TYR A 88 1.802 14.075 -8.592 1.00 0.00 C ATOM 1489 CZ TYR A 88 1.990 12.996 -9.453 1.00 0.00 C ATOM 1490 OH TYR A 88 3.098 12.211 -9.284 1.00 0.00 O ATOM 0 HA TYR A 88 -3.176 14.263 -9.528 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.722 15.629 -11.002 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.185 16.591 -9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.794 13.357 -11.400 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.532 15.751 -8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.216 11.891 -11.133 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.517 14.272 -7.807 1.00 0.00 H new ATOM 0 HH TYR A 88 2.833 11.268 -9.279 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.582 15.947 -6.822 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.230 15.784 -5.421 1.00 0.00 C ATOM 1502 C ALA A 89 -3.162 14.825 -4.655 1.00 0.00 C ATOM 1503 O ALA A 89 -2.705 13.806 -4.177 1.00 0.00 O ATOM 1504 CB ALA A 89 -2.192 17.158 -4.742 1.00 0.00 C ATOM 0 H ALA A 89 -2.963 16.861 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.244 15.321 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.928 17.037 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.449 17.786 -5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.172 17.629 -4.818 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.456 15.104 -4.556 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.361 14.175 -3.840 1.00 0.00 C ATOM 1512 C GLU A 90 -5.625 12.931 -4.693 1.00 0.00 C ATOM 1513 O GLU A 90 -6.094 11.891 -4.213 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.638 14.860 -3.367 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.379 15.769 -2.148 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.881 15.007 -0.903 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -6.655 14.206 -0.342 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.712 15.225 -0.474 1.00 0.00 O ATOM 0 H GLU A 90 -4.904 15.934 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.863 13.845 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.056 15.453 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.381 14.106 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.642 16.525 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.299 16.296 -1.897 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.274 13.030 -5.964 1.00 0.00 N ATOM 1526 CA GLU A 91 -5.259 11.866 -6.839 1.00 0.00 C ATOM 1527 C GLU A 91 -4.284 10.818 -6.254 1.00 0.00 C ATOM 1528 O GLU A 91 -4.370 9.642 -6.577 1.00 0.00 O ATOM 1529 CB GLU A 91 -4.856 12.271 -8.254 1.00 0.00 C ATOM 1530 CG GLU A 91 -4.987 11.180 -9.285 1.00 0.00 C ATOM 1531 CD GLU A 91 -4.547 11.651 -10.650 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -5.224 12.544 -11.218 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -3.519 11.144 -11.162 1.00 0.00 O ATOM 0 H GLU A 91 -4.996 13.902 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.256 11.430 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.468 13.118 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.822 12.614 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.387 10.321 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.023 10.845 -9.331 1.00 0.00 H new ATOM 1540 N GLU A 92 -3.373 11.230 -5.371 1.00 0.00 N ATOM 1541 CA GLU A 92 -2.539 10.260 -4.653 1.00 0.00 C ATOM 1542 C GLU A 92 -3.458 9.292 -3.916 1.00 0.00 C ATOM 1543 O GLU A 92 -3.333 8.081 -4.063 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.622 10.977 -3.657 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.962 10.103 -2.597 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.429 10.501 -1.201 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -1.105 11.630 -0.764 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -2.128 9.701 -0.546 1.00 0.00 O ATOM 0 H GLU A 92 -3.194 12.207 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.911 9.718 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.838 11.485 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.203 11.748 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.202 9.056 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.122 10.198 -2.664 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.388 9.837 -3.146 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.321 9.034 -2.368 1.00 0.00 C ATOM 1557 C LEU A 93 -6.209 8.204 -3.288 1.00 0.00 C ATOM 1558 O LEU A 93 -6.556 7.070 -2.964 1.00 0.00 O ATOM 1559 CB LEU A 93 -6.179 9.950 -1.487 1.00 0.00 C ATOM 1560 CG LEU A 93 -7.127 9.260 -0.493 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -6.363 8.406 0.528 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -7.948 10.325 0.233 1.00 0.00 C ATOM 0 H LEU A 93 -4.517 10.843 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.755 8.352 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.512 10.603 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.775 10.589 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.782 8.592 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.070 7.936 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.796 7.635 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.679 9.039 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.624 9.844 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.279 10.997 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.528 10.895 -0.493 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.568 8.748 -4.443 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.375 7.980 -5.406 1.00 0.00 C ATOM 1576 C GLU A 94 -6.598 6.748 -5.908 1.00 0.00 C ATOM 1577 O GLU A 94 -7.128 5.629 -5.952 1.00 0.00 O ATOM 1578 CB GLU A 94 -7.778 8.855 -6.600 1.00 0.00 C ATOM 1579 CG GLU A 94 -8.758 9.967 -6.239 1.00 0.00 C ATOM 1580 CD GLU A 94 -9.003 10.929 -7.397 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -8.956 12.153 -7.166 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -9.231 10.481 -8.544 1.00 0.00 O ATOM 0 H GLU A 94 -6.325 9.693 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.277 7.646 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.882 9.299 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.225 8.224 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.706 9.526 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.373 10.523 -5.384 1.00 0.00 H new ATOM 1589 N GLN A 95 -5.340 6.941 -6.274 1.00 0.00 N ATOM 1590 CA GLN A 95 -4.517 5.837 -6.764 1.00 0.00 C ATOM 1591 C GLN A 95 -4.230 4.835 -5.644 1.00 0.00 C ATOM 1592 O GLN A 95 -4.209 3.630 -5.882 1.00 0.00 O ATOM 1593 CB GLN A 95 -3.205 6.362 -7.353 1.00 0.00 C ATOM 1594 CG GLN A 95 -3.148 6.344 -8.889 1.00 0.00 C ATOM 1595 CD GLN A 95 -3.847 7.531 -9.540 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -5.047 7.702 -9.431 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -3.085 8.346 -10.232 1.00 0.00 N ATOM 0 H GLN A 95 -4.866 7.844 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.072 5.326 -7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.049 7.384 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.381 5.764 -6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.105 6.329 -9.205 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.604 5.422 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.082 8.171 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.496 9.154 -10.700 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.027 5.326 -4.427 1.00 0.00 N ATOM 1607 CA VAL A 96 -3.823 4.457 -3.259 1.00 0.00 C ATOM 1608 C VAL A 96 -5.073 3.593 -3.074 1.00 0.00 C ATOM 1609 O VAL A 96 -4.988 2.372 -2.866 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.555 5.315 -1.974 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.740 4.497 -0.686 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.135 5.901 -2.017 1.00 0.00 C ATOM 0 H VAL A 96 -3.998 6.324 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.953 3.821 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.287 6.123 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.544 5.131 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.762 4.122 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.045 3.657 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.959 6.495 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.408 5.090 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.029 6.534 -2.898 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.240 4.218 -3.174 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.496 3.492 -3.033 1.00 0.00 C ATOM 1624 C ARG A 97 -7.576 2.380 -4.058 1.00 0.00 C ATOM 1625 O ARG A 97 -7.954 1.273 -3.718 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.701 4.426 -3.202 1.00 0.00 C ATOM 1627 CG ARG A 97 -10.021 3.675 -3.243 1.00 0.00 C ATOM 1628 CD ARG A 97 -11.191 4.572 -3.545 1.00 0.00 C ATOM 1629 NE ARG A 97 -12.344 3.743 -3.929 1.00 0.00 N ATOM 1630 CZ ARG A 97 -13.187 3.155 -3.087 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -13.077 3.266 -1.784 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -14.155 2.426 -3.568 1.00 0.00 N ATOM 0 H ARG A 97 -6.343 5.217 -3.351 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.522 3.069 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.720 5.141 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.585 5.000 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.965 2.891 -3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.184 3.183 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.436 5.177 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.938 5.262 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.510 3.608 -4.926 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.322 3.821 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.747 2.797 -1.174 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.256 2.314 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.811 1.968 -2.936 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.239 2.652 -5.306 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.334 1.605 -6.325 1.00 0.00 C ATOM 1648 C GLU A 98 -6.262 0.512 -6.129 1.00 0.00 C ATOM 1649 O GLU A 98 -6.509 -0.663 -6.425 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.294 2.214 -7.725 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.532 3.093 -8.020 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.855 2.323 -7.893 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.695 2.672 -7.023 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.069 1.367 -8.673 1.00 0.00 O ATOM 0 H GLU A 98 -6.906 3.557 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.297 1.108 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.391 2.815 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.234 1.415 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.543 3.939 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.450 3.501 -9.027 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.098 0.875 -5.599 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.068 -0.116 -5.262 1.00 0.00 C ATOM 1663 C ALA A 99 -4.661 -1.054 -4.190 1.00 0.00 C ATOM 1664 O ALA A 99 -4.639 -2.295 -4.318 1.00 0.00 O ATOM 1665 CB ALA A 99 -2.803 0.576 -4.744 1.00 0.00 C ATOM 0 H ALA A 99 -4.840 1.840 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.782 -0.686 -6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.052 -0.175 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.413 1.243 -5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.044 1.153 -3.851 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.214 -0.456 -3.143 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.824 -1.235 -2.064 1.00 0.00 C ATOM 1673 C LEU A 100 -7.024 -2.037 -2.574 1.00 0.00 C ATOM 1674 O LEU A 100 -7.288 -3.130 -2.100 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.251 -0.314 -0.916 1.00 0.00 C ATOM 1676 CG LEU A 100 -5.095 0.360 -0.152 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.658 1.422 0.788 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -4.275 -0.657 0.649 1.00 0.00 C ATOM 0 H LEU A 100 -5.255 0.555 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.078 -1.938 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.902 0.463 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.844 -0.893 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.431 0.821 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.841 1.899 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.197 2.172 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.339 0.954 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.470 -0.143 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.920 -1.155 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.851 -1.398 -0.029 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.739 -1.505 -3.553 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.874 -2.206 -4.165 1.00 0.00 C ATOM 1692 C ARG A 101 -8.394 -3.432 -4.938 1.00 0.00 C ATOM 1693 O ARG A 101 -9.056 -4.469 -4.949 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.607 -1.255 -5.107 1.00 0.00 C ATOM 1695 CG ARG A 101 -10.915 -1.773 -5.645 1.00 0.00 C ATOM 1696 CD ARG A 101 -11.399 -0.821 -6.708 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.694 -1.216 -7.273 1.00 0.00 N ATOM 1698 CZ ARG A 101 -13.273 -0.631 -8.314 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -12.723 0.369 -8.956 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -14.435 -1.066 -8.719 1.00 0.00 N ATOM 0 H ARG A 101 -7.557 -0.583 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.551 -2.538 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.793 -0.319 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.952 -1.024 -5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.786 -2.772 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.650 -1.853 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.482 0.180 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.659 -0.768 -7.507 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.184 -1.996 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.815 0.727 -8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.203 0.790 -9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.884 -1.844 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.894 -0.627 -9.518 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.238 -3.335 -5.582 1.00 0.00 N ATOM 1715 CA LYS A 102 -6.682 -4.500 -6.279 1.00 0.00 C ATOM 1716 C LYS A 102 -6.347 -5.547 -5.216 1.00 0.00 C ATOM 1717 O LYS A 102 -6.629 -6.727 -5.405 1.00 0.00 O ATOM 1718 CB LYS A 102 -5.447 -4.104 -7.108 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.028 -5.101 -8.227 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.308 -6.361 -7.707 1.00 0.00 C ATOM 1721 CE LYS A 102 -2.958 -6.593 -8.426 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.223 -7.807 -7.901 1.00 0.00 N ATOM 0 H LYS A 102 -6.675 -2.487 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.402 -4.911 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.638 -3.134 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.604 -3.976 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.917 -5.405 -8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.375 -4.587 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.136 -6.264 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.949 -7.231 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.135 -6.714 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.329 -5.711 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.264 -7.833 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.163 -7.755 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.736 -8.669 -8.175 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.770 -5.117 -4.099 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.448 -6.049 -3.005 1.00 0.00 C ATOM 1738 C ALA A 103 -6.724 -6.696 -2.419 1.00 0.00 C ATOM 1739 O ALA A 103 -6.753 -7.888 -2.104 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.668 -5.313 -1.902 1.00 0.00 C ATOM 0 H ALA A 103 -5.516 -4.145 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.829 -6.848 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.433 -6.009 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.743 -4.912 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.274 -4.496 -1.511 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.777 -5.901 -2.291 1.00 0.00 N ATOM 1747 CA GLU A 104 -9.072 -6.374 -1.792 1.00 0.00 C ATOM 1748 C GLU A 104 -9.599 -7.493 -2.693 1.00 0.00 C ATOM 1749 O GLU A 104 -10.065 -8.532 -2.215 1.00 0.00 O ATOM 1750 CB GLU A 104 -10.051 -5.188 -1.767 1.00 0.00 C ATOM 1751 CG GLU A 104 -11.449 -5.485 -1.252 1.00 0.00 C ATOM 1752 CD GLU A 104 -12.329 -4.232 -1.266 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -12.484 -3.608 -2.347 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -12.857 -3.860 -0.193 1.00 0.00 O ATOM 0 H GLU A 104 -7.763 -4.909 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.964 -6.774 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.619 -4.400 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.135 -4.792 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.907 -6.260 -1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.388 -5.877 -0.237 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.507 -7.294 -4.001 1.00 0.00 N ATOM 1762 CA LYS A 105 -9.961 -8.306 -4.952 1.00 0.00 C ATOM 1763 C LYS A 105 -9.131 -9.580 -4.823 1.00 0.00 C ATOM 1764 O LYS A 105 -9.672 -10.692 -4.886 1.00 0.00 O ATOM 1765 CB LYS A 105 -9.885 -7.757 -6.384 1.00 0.00 C ATOM 1766 CG LYS A 105 -10.604 -8.616 -7.434 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.122 -8.632 -7.219 1.00 0.00 C ATOM 1768 CE LYS A 105 -12.612 -10.016 -6.799 1.00 0.00 C ATOM 1769 NZ LYS A 105 -14.063 -9.974 -6.420 1.00 0.00 N ATOM 0 H LYS A 105 -9.126 -6.449 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.998 -8.553 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.313 -6.754 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.837 -7.661 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.383 -8.232 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.221 -9.636 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.390 -7.902 -6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.624 -8.330 -8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.465 -10.722 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.021 -10.376 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.296 -10.809 -5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.253 -9.112 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.647 -9.971 -7.281 1.00 0.00 H new ATOM 1783 N GLU A 106 -7.827 -9.425 -4.629 1.00 0.00 N ATOM 1784 CA GLU A 106 -6.947 -10.579 -4.449 1.00 0.00 C ATOM 1785 C GLU A 106 -7.378 -11.333 -3.199 1.00 0.00 C ATOM 1786 O GLU A 106 -7.511 -12.555 -3.222 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.479 -10.165 -4.305 1.00 0.00 C ATOM 1788 CG GLU A 106 -4.831 -9.722 -5.592 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.356 -9.413 -5.403 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -2.546 -10.359 -5.345 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -2.996 -8.220 -5.330 1.00 0.00 O ATOM 0 H GLU A 106 -7.356 -8.521 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.029 -11.209 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.412 -9.354 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.915 -11.004 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.945 -10.503 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.342 -8.837 -5.971 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.616 -10.606 -2.115 1.00 0.00 N ATOM 1799 CA LEU A 107 -8.047 -11.226 -0.862 1.00 0.00 C ATOM 1800 C LEU A 107 -9.343 -12.012 -1.055 1.00 0.00 C ATOM 1801 O LEU A 107 -9.486 -13.136 -0.535 1.00 0.00 O ATOM 1802 CB LEU A 107 -8.249 -10.151 0.208 1.00 0.00 C ATOM 1803 CG LEU A 107 -8.730 -10.654 1.578 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -7.724 -11.615 2.219 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -8.969 -9.455 2.485 1.00 0.00 C ATOM 0 H LEU A 107 -7.519 -9.591 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.270 -11.920 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.306 -9.621 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.971 -9.425 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.657 -11.210 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.103 -11.947 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.581 -12.479 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.771 -11.104 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.311 -9.799 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.040 -8.897 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.727 -8.809 2.042 1.00 0.00 H new ATOM 1817 N GLU A 108 -10.278 -11.447 -1.808 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.528 -12.148 -2.087 1.00 0.00 C ATOM 1819 C GLU A 108 -11.207 -13.482 -2.746 1.00 0.00 C ATOM 1820 O GLU A 108 -11.690 -14.521 -2.295 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.443 -11.352 -3.020 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.157 -10.171 -2.396 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.032 -9.484 -3.428 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -13.610 -8.459 -4.002 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -15.137 -9.995 -3.712 1.00 0.00 O ATOM 0 H GLU A 108 -10.200 -10.522 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.050 -12.286 -1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.849 -10.991 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.192 -12.030 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.767 -10.507 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.428 -9.465 -1.998 1.00 0.00 H new ATOM 1832 N SER A 109 -10.386 -13.473 -3.795 1.00 0.00 N ATOM 1833 CA SER A 109 -10.040 -14.723 -4.493 1.00 0.00 C ATOM 1834 C SER A 109 -9.346 -15.732 -3.580 1.00 0.00 C ATOM 1835 O SER A 109 -9.558 -16.940 -3.707 1.00 0.00 O ATOM 1836 CB SER A 109 -9.142 -14.443 -5.696 1.00 0.00 C ATOM 1837 OG SER A 109 -8.434 -13.231 -5.530 1.00 0.00 O ATOM 0 H SER A 109 -9.952 -12.634 -4.179 1.00 0.00 H new ATOM 0 HA SER A 109 -10.983 -15.157 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.438 -15.264 -5.827 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.747 -14.394 -6.602 1.00 0.00 H new ATOM 0 HG SER A 109 -7.848 -13.299 -4.747 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.546 -15.247 -2.639 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.795 -16.134 -1.750 1.00 0.00 C ATOM 1845 C HIS A 110 -8.724 -16.745 -0.720 1.00 0.00 C ATOM 1846 O HIS A 110 -8.395 -17.750 -0.092 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.715 -15.356 -0.987 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.728 -14.661 -1.870 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.469 -15.007 -3.171 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.924 -13.588 -1.623 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.572 -14.166 -3.654 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.187 -13.284 -2.749 1.00 0.00 N ATOM 0 H HIS A 110 -8.399 -14.252 -2.470 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.336 -16.905 -2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -7.198 -14.617 -0.347 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.180 -16.044 -0.332 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.896 -15.781 -3.679 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.872 -13.055 -0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.198 -14.196 -4.667 1.00 0.00 H new ATOM 1860 N SER A 111 -9.892 -16.145 -0.555 1.00 0.00 N ATOM 1861 CA SER A 111 -10.883 -16.628 0.401 1.00 0.00 C ATOM 1862 C SER A 111 -12.153 -17.189 -0.255 1.00 0.00 C ATOM 1863 O SER A 111 -13.060 -17.626 0.446 1.00 0.00 O ATOM 1864 CB SER A 111 -11.281 -15.457 1.292 1.00 0.00 C ATOM 1865 OG SER A 111 -11.754 -14.386 0.490 1.00 0.00 O ATOM 0 H SER A 111 -10.181 -15.316 -1.074 1.00 0.00 H new ATOM 0 HA SER A 111 -10.426 -17.447 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.055 -15.768 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 111 -10.426 -15.131 1.884 1.00 0.00 H new ATOM 0 HG SER A 111 -10.993 -13.917 0.089 1.00 0.00 H new ATOM 1871 N SER A 112 -12.217 -17.188 -1.583 1.00 0.00 N ATOM 1872 CA SER A 112 -13.420 -17.641 -2.317 1.00 0.00 C ATOM 1873 C SER A 112 -13.728 -19.144 -2.226 1.00 0.00 C ATOM 1874 O SER A 112 -14.735 -19.607 -2.763 1.00 0.00 O ATOM 1875 CB SER A 112 -13.298 -17.254 -3.788 1.00 0.00 C ATOM 1876 OG SER A 112 -13.328 -15.846 -3.949 1.00 0.00 O ATOM 0 H SER A 112 -11.453 -16.880 -2.185 1.00 0.00 H new ATOM 0 HA SER A 112 -14.253 -17.138 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.368 -17.650 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.112 -17.705 -4.355 1.00 0.00 H new ATOM 0 HG SER A 112 -12.906 -15.419 -3.175 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.868 -19.880 -1.532 1.00 0.00 N ATOM 1883 CA TRP A 113 -13.030 -21.318 -1.253 1.00 0.00 C ATOM 1884 C TRP A 113 -12.945 -22.244 -2.477 1.00 0.00 C ATOM 1885 O TRP A 113 -11.887 -22.832 -2.720 1.00 0.00 O ATOM 1886 CB TRP A 113 -14.315 -21.558 -0.435 1.00 0.00 C ATOM 1887 CG TRP A 113 -14.290 -22.844 0.323 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -14.927 -23.996 0.010 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -13.581 -23.124 1.548 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -14.664 -24.981 0.911 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -13.839 -24.487 1.879 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -12.757 -22.361 2.400 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -13.289 -25.104 3.020 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -12.210 -22.974 3.558 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -12.480 -24.345 3.850 1.00 0.00 C ATOM 0 H TRP A 113 -12.013 -19.491 -1.133 1.00 0.00 H new ATOM 0 HA TRP A 113 -12.160 -21.601 -0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -14.454 -20.733 0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -15.173 -21.555 -1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -15.567 -24.119 -0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -15.025 -25.934 0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -12.545 -21.326 2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -13.493 -26.141 3.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -11.584 -22.398 4.224 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -12.048 -24.797 4.730 1.00 0.00 H new