USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 703 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 32 GLN : amide:sc= 0.101 K(o=0.2,f=-2.2) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -167:sc= 0.1 (180deg=0) USER MOD Single : A 19 SER OG : rot 140:sc= -0.0717 USER MOD Single : A 20 HIS : no HD1:sc= -0.0505 X(o=-0.051,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -54:sc= 0.896 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.7) USER MOD Single : A 41 ASN : amide:sc= -1.82 K(o=-1.8,f=-10!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 45 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-11!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -57:sc= 1.17 USER MOD Single : A 60 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-6.1!) USER MOD Single : A 71 LYS NZ :NH3+ 147:sc= -2.09 (180deg=-3.86!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -3.81 X(o=-3.8,f=-3.4!) USER MOD Single : A 86 MET CE :methyl -161:sc= 0 (180deg=-0.137) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.082 (180deg=-0.635) USER MOD Single : A 88 MET CE :methyl 152:sc= -0.144 (180deg=-1.79) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.218 K(o=0.22,f=-0.46) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 102 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 26.054 0.923 -13.020 1.00 0.00 N ATOM 2 CA GLY A 12 27.190 1.189 -12.092 1.00 0.00 C ATOM 3 C GLY A 12 27.134 0.205 -10.931 1.00 0.00 C ATOM 4 O GLY A 12 28.171 -0.248 -10.443 1.00 0.00 O ATOM 0 HA2 GLY A 12 28.138 1.090 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 12 27.138 2.212 -11.719 1.00 0.00 H new ATOM 10 N GLY A 13 25.908 -0.122 -10.492 1.00 0.00 N ATOM 11 CA GLY A 13 25.700 -1.062 -9.381 1.00 0.00 C ATOM 12 C GLY A 13 26.201 -0.474 -8.088 1.00 0.00 C ATOM 13 O GLY A 13 26.468 -1.197 -7.128 1.00 0.00 O ATOM 0 H GLY A 13 25.046 0.251 -10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 13 24.640 -1.299 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.220 -1.998 -9.587 1.00 0.00 H new ATOM 17 N LEU A 14 26.348 0.854 -8.069 1.00 0.00 N ATOM 18 CA LEU A 14 26.846 1.546 -6.888 1.00 0.00 C ATOM 19 C LEU A 14 25.887 1.362 -5.727 1.00 0.00 C ATOM 20 O LEU A 14 26.300 1.103 -4.594 1.00 0.00 O ATOM 21 CB LEU A 14 26.992 3.066 -7.179 1.00 0.00 C ATOM 22 CG LEU A 14 27.825 3.803 -6.036 1.00 0.00 C ATOM 23 CD1 LEU A 14 29.352 3.711 -6.325 1.00 0.00 C ATOM 24 CD2 LEU A 14 27.392 5.294 -5.906 1.00 0.00 C ATOM 0 H LEU A 14 26.129 1.464 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 14 27.818 1.125 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 14 27.487 3.208 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 26.004 3.519 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 14 27.617 3.300 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 14 29.903 4.220 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 14 29.653 2.664 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 14 29.570 4.185 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 14 27.974 5.775 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 14 27.566 5.807 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 26.333 5.345 -5.655 1.00 0.00 H new ATOM 36 N VAL A 15 24.591 1.535 -6.029 1.00 0.00 N ATOM 37 CA VAL A 15 23.566 1.429 -4.997 1.00 0.00 C ATOM 38 C VAL A 15 23.534 -0.016 -4.434 1.00 0.00 C ATOM 39 O VAL A 15 23.292 -0.950 -5.199 1.00 0.00 O ATOM 40 CB VAL A 15 22.165 1.844 -5.540 1.00 0.00 C ATOM 41 CG1 VAL A 15 21.123 1.857 -4.372 1.00 0.00 C ATOM 42 CG2 VAL A 15 22.264 3.259 -6.183 1.00 0.00 C ATOM 0 H VAL A 15 24.239 1.745 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 15 23.818 2.118 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 15 21.838 1.126 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 15 20.146 2.148 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 15 21.057 0.862 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 15 21.439 2.570 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.287 3.554 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.593 3.978 -5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.982 3.237 -7.003 1.00 0.00 H new ATOM 52 N PRO A 16 23.770 -0.231 -3.142 1.00 0.00 N ATOM 53 CA PRO A 16 23.755 -1.612 -2.545 1.00 0.00 C ATOM 54 C PRO A 16 22.329 -2.142 -2.377 1.00 0.00 C ATOM 55 O PRO A 16 22.102 -3.353 -2.441 1.00 0.00 O ATOM 56 CB PRO A 16 24.470 -1.414 -1.172 1.00 0.00 C ATOM 57 CG PRO A 16 24.143 0.014 -0.780 1.00 0.00 C ATOM 58 CD PRO A 16 24.074 0.796 -2.100 1.00 0.00 C ATOM 0 HA PRO A 16 24.247 -2.354 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 16 24.107 -2.123 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 16 25.546 -1.566 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 16 23.196 0.066 -0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.907 0.425 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 16 23.300 1.563 -2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 16 25.016 1.303 -2.308 1.00 0.00 H new ATOM 66 N ARG A 17 21.375 -1.232 -2.154 1.00 0.00 N ATOM 67 CA ARG A 17 19.974 -1.623 -1.955 1.00 0.00 C ATOM 68 C ARG A 17 19.410 -2.279 -3.216 1.00 0.00 C ATOM 69 O ARG A 17 19.042 -3.457 -3.210 1.00 0.00 O ATOM 70 CB ARG A 17 19.131 -0.379 -1.580 1.00 0.00 C ATOM 71 CG ARG A 17 19.649 0.241 -0.252 1.00 0.00 C ATOM 72 CD ARG A 17 18.818 1.491 0.115 1.00 0.00 C ATOM 73 NE ARG A 17 19.037 2.531 -0.906 1.00 0.00 N ATOM 74 CZ ARG A 17 20.170 3.254 -0.964 1.00 0.00 C ATOM 75 NH1 ARG A 17 21.133 3.039 -0.103 1.00 0.00 N ATOM 76 NH2 ARG A 17 20.317 4.163 -1.887 1.00 0.00 N ATOM 0 H ARG A 17 21.544 -0.227 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 17 19.927 -2.348 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 17 19.184 0.360 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 17 18.083 -0.659 -1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 17 19.586 -0.495 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 17 20.700 0.512 -0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.760 1.236 0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 17 19.109 1.861 1.098 1.00 0.00 H new ATOM 0 HE ARG A 17 18.304 2.709 -1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 17 21.025 2.322 0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 17 21.991 3.589 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.573 4.326 -2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 17 21.176 4.711 -1.931 1.00 0.00 H new ATOM 90 N GLY A 18 19.344 -1.495 -4.296 1.00 0.00 N ATOM 91 CA GLY A 18 18.816 -1.986 -5.570 1.00 0.00 C ATOM 92 C GLY A 18 17.351 -2.395 -5.411 1.00 0.00 C ATOM 93 O GLY A 18 17.056 -3.412 -4.782 1.00 0.00 O ATOM 0 H GLY A 18 19.649 -0.522 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 18 18.904 -1.211 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 18 19.404 -2.838 -5.912 1.00 0.00 H new ATOM 97 N SER A 19 16.438 -1.592 -5.956 1.00 0.00 N ATOM 98 CA SER A 19 15.005 -1.863 -5.854 1.00 0.00 C ATOM 99 C SER A 19 14.254 -0.996 -6.844 1.00 0.00 C ATOM 100 O SER A 19 14.865 -0.289 -7.648 1.00 0.00 O ATOM 101 CB SER A 19 14.515 -1.579 -4.427 1.00 0.00 C ATOM 102 OG SER A 19 13.132 -1.892 -4.340 1.00 0.00 O ATOM 0 H SER A 19 16.667 -0.744 -6.475 1.00 0.00 H new ATOM 0 HA SER A 19 14.821 -2.912 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.081 -2.173 -3.710 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.680 -0.532 -4.174 1.00 0.00 H new ATOM 0 HG SER A 19 12.949 -2.329 -3.482 1.00 0.00 H new ATOM 108 N HIS A 20 12.923 -1.060 -6.788 1.00 0.00 N ATOM 109 CA HIS A 20 12.065 -0.281 -7.686 1.00 0.00 C ATOM 110 C HIS A 20 10.727 0.025 -7.003 1.00 0.00 C ATOM 111 O HIS A 20 10.356 1.184 -6.833 1.00 0.00 O ATOM 112 CB HIS A 20 11.832 -1.075 -8.997 1.00 0.00 C ATOM 113 CG HIS A 20 11.099 -0.220 -10.001 1.00 0.00 C ATOM 114 ND1 HIS A 20 11.733 0.804 -10.681 1.00 0.00 N ATOM 115 CD2 HIS A 20 9.792 -0.193 -10.408 1.00 0.00 C ATOM 116 CE1 HIS A 20 10.813 1.404 -11.456 1.00 0.00 C ATOM 117 NE2 HIS A 20 9.611 0.834 -11.328 1.00 0.00 N ATOM 0 H HIS A 20 12.412 -1.646 -6.127 1.00 0.00 H new ATOM 0 HA HIS A 20 12.555 0.663 -7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.788 -1.396 -9.411 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.256 -1.977 -8.787 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.020 -0.866 -10.067 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.020 2.244 -12.103 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.747 1.096 -11.803 1.00 0.00 H new ATOM 125 N MET A 21 10.000 -1.030 -6.616 1.00 0.00 N ATOM 126 CA MET A 21 8.697 -0.863 -5.959 1.00 0.00 C ATOM 127 C MET A 21 8.851 -0.121 -4.636 1.00 0.00 C ATOM 128 O MET A 21 8.106 0.819 -4.341 1.00 0.00 O ATOM 129 CB MET A 21 8.065 -2.252 -5.729 1.00 0.00 C ATOM 130 CG MET A 21 7.805 -2.952 -7.081 1.00 0.00 C ATOM 131 SD MET A 21 7.043 -4.572 -6.769 1.00 0.00 S ATOM 132 CE MET A 21 5.301 -4.075 -6.841 1.00 0.00 C ATOM 0 H MET A 21 10.288 -2.000 -6.745 1.00 0.00 H new ATOM 0 HA MET A 21 8.045 -0.269 -6.600 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.727 -2.864 -5.116 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.129 -2.147 -5.180 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.150 -2.341 -7.702 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.740 -3.074 -7.628 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.667 -4.945 -6.671 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.104 -3.327 -6.073 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.083 -3.654 -7.822 1.00 0.00 H new ATOM 142 N ALA A 22 9.825 -0.554 -3.838 1.00 0.00 N ATOM 143 CA ALA A 22 10.083 0.063 -2.531 1.00 0.00 C ATOM 144 C ALA A 22 10.309 1.569 -2.679 1.00 0.00 C ATOM 145 O ALA A 22 9.719 2.372 -1.955 1.00 0.00 O ATOM 146 CB ALA A 22 11.329 -0.580 -1.884 1.00 0.00 C ATOM 0 H ALA A 22 10.449 -1.327 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 22 9.212 -0.102 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.515 -0.118 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.159 -1.648 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.194 -0.428 -2.530 1.00 0.00 H new ATOM 152 N SER A 23 11.177 1.935 -3.630 1.00 0.00 N ATOM 153 CA SER A 23 11.503 3.347 -3.872 1.00 0.00 C ATOM 154 C SER A 23 10.245 4.162 -4.131 1.00 0.00 C ATOM 155 O SER A 23 10.064 5.225 -3.557 1.00 0.00 O ATOM 156 CB SER A 23 12.445 3.478 -5.091 1.00 0.00 C ATOM 157 OG SER A 23 11.731 3.173 -6.282 1.00 0.00 O ATOM 0 H SER A 23 11.664 1.279 -4.241 1.00 0.00 H new ATOM 0 HA SER A 23 11.997 3.730 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.847 4.490 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.294 2.803 -4.981 1.00 0.00 H new ATOM 0 HG SER A 23 11.313 2.291 -6.196 1.00 0.00 H new ATOM 163 N LYS A 24 9.358 3.639 -4.976 1.00 0.00 N ATOM 164 CA LYS A 24 8.103 4.336 -5.294 1.00 0.00 C ATOM 165 C LYS A 24 7.247 4.508 -4.054 1.00 0.00 C ATOM 166 O LYS A 24 6.673 5.576 -3.826 1.00 0.00 O ATOM 167 CB LYS A 24 7.323 3.543 -6.364 1.00 0.00 C ATOM 168 CG LYS A 24 8.030 3.636 -7.758 1.00 0.00 C ATOM 169 CD LYS A 24 7.154 3.008 -8.881 1.00 0.00 C ATOM 170 CE LYS A 24 7.030 1.480 -8.717 1.00 0.00 C ATOM 171 NZ LYS A 24 6.331 0.935 -9.893 1.00 0.00 N ATOM 0 H LYS A 24 9.479 2.744 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 24 8.348 5.326 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.243 2.499 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.307 3.931 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.235 4.680 -7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.991 3.124 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.161 3.458 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.590 3.236 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.018 1.029 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.481 1.241 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.240 -0.096 -9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.385 1.361 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.874 1.155 -10.752 1.00 0.00 H new ATOM 185 N ARG A 25 7.153 3.457 -3.254 1.00 0.00 N ATOM 186 CA ARG A 25 6.349 3.510 -2.043 1.00 0.00 C ATOM 187 C ARG A 25 6.966 4.510 -1.061 1.00 0.00 C ATOM 188 O ARG A 25 6.250 5.255 -0.389 1.00 0.00 O ATOM 189 CB ARG A 25 6.271 2.108 -1.411 1.00 0.00 C ATOM 190 CG ARG A 25 5.316 2.107 -0.187 1.00 0.00 C ATOM 191 CD ARG A 25 5.233 0.712 0.444 1.00 0.00 C ATOM 192 NE ARG A 25 4.259 0.745 1.541 1.00 0.00 N ATOM 193 CZ ARG A 25 4.523 1.342 2.715 1.00 0.00 C ATOM 194 NH1 ARG A 25 5.675 1.936 2.916 1.00 0.00 N ATOM 195 NH2 ARG A 25 3.625 1.340 3.654 1.00 0.00 N ATOM 0 H ARG A 25 7.619 2.565 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 25 5.339 3.838 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.921 1.389 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.266 1.788 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.668 2.825 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.322 2.430 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.934 -0.023 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.211 0.408 0.817 1.00 0.00 H new ATOM 0 HE ARG A 25 3.351 0.300 1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.379 1.947 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.867 2.387 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.725 0.887 3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.820 1.792 4.547 1.00 0.00 H new ATOM 209 N ASP A 26 8.305 4.502 -0.988 1.00 0.00 N ATOM 210 CA ASP A 26 9.034 5.391 -0.078 1.00 0.00 C ATOM 211 C ASP A 26 8.826 6.851 -0.469 1.00 0.00 C ATOM 212 O ASP A 26 8.666 7.714 0.397 1.00 0.00 O ATOM 213 CB ASP A 26 10.545 5.055 -0.097 1.00 0.00 C ATOM 214 CG ASP A 26 11.303 5.942 0.907 1.00 0.00 C ATOM 215 OD1 ASP A 26 11.273 5.622 2.083 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.876 6.935 0.484 1.00 0.00 O ATOM 0 H ASP A 26 8.901 3.892 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 26 8.646 5.240 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.694 4.004 0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.945 5.205 -1.100 1.00 0.00 H new ATOM 221 N LYS A 27 8.830 7.118 -1.777 1.00 0.00 N ATOM 222 CA LYS A 27 8.650 8.485 -2.282 1.00 0.00 C ATOM 223 C LYS A 27 7.349 9.074 -1.775 1.00 0.00 C ATOM 224 O LYS A 27 7.330 10.170 -1.237 1.00 0.00 O ATOM 225 CB LYS A 27 8.648 8.473 -3.841 1.00 0.00 C ATOM 226 CG LYS A 27 10.087 8.374 -4.394 1.00 0.00 C ATOM 227 CD LYS A 27 10.079 8.267 -5.936 1.00 0.00 C ATOM 228 CE LYS A 27 11.517 8.189 -6.471 1.00 0.00 C ATOM 229 NZ LYS A 27 11.469 8.080 -7.940 1.00 0.00 N ATOM 0 H LYS A 27 8.955 6.412 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 27 9.475 9.100 -1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.057 7.631 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.172 9.380 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.659 9.250 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.586 7.504 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.521 7.383 -6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.570 9.130 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.079 9.075 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.033 7.328 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.437 8.026 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.946 7.222 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.990 8.915 -8.335 1.00 0.00 H new ATOM 243 N ILE A 28 6.261 8.332 -1.922 1.00 0.00 N ATOM 244 CA ILE A 28 4.959 8.822 -1.459 1.00 0.00 C ATOM 245 C ILE A 28 5.031 9.118 0.039 1.00 0.00 C ATOM 246 O ILE A 28 4.613 10.170 0.487 1.00 0.00 O ATOM 247 CB ILE A 28 3.865 7.773 -1.752 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.845 7.446 -3.288 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.463 8.306 -1.296 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.955 6.234 -3.575 1.00 0.00 C ATOM 0 H ILE A 28 6.246 7.406 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 28 4.706 9.740 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 28 4.087 6.863 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.480 8.310 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.859 7.248 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.702 7.556 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.482 8.510 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.229 9.223 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.957 6.027 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.337 5.367 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.937 6.445 -3.248 1.00 0.00 H new ATOM 262 N ALA A 29 5.557 8.159 0.800 1.00 0.00 N ATOM 263 CA ALA A 29 5.664 8.311 2.255 1.00 0.00 C ATOM 264 C ALA A 29 6.460 9.569 2.604 1.00 0.00 C ATOM 265 O ALA A 29 6.226 10.203 3.633 1.00 0.00 O ATOM 266 CB ALA A 29 6.349 7.069 2.863 1.00 0.00 C ATOM 0 H ALA A 29 5.914 7.274 0.439 1.00 0.00 H new ATOM 0 HA ALA A 29 4.661 8.407 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.425 7.188 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.759 6.181 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.347 6.960 2.439 1.00 0.00 H new ATOM 272 N ASP A 30 7.407 9.915 1.723 1.00 0.00 N ATOM 273 CA ASP A 30 8.264 11.092 1.918 1.00 0.00 C ATOM 274 C ASP A 30 7.600 12.363 1.386 1.00 0.00 C ATOM 275 O ASP A 30 7.774 13.440 1.951 1.00 0.00 O ATOM 276 CB ASP A 30 9.616 10.878 1.179 1.00 0.00 C ATOM 277 CG ASP A 30 10.593 12.016 1.509 1.00 0.00 C ATOM 278 OD1 ASP A 30 11.268 11.910 2.518 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.623 12.985 0.767 1.00 0.00 O ATOM 0 H ASP A 30 7.600 9.396 0.866 1.00 0.00 H new ATOM 0 HA ASP A 30 8.430 11.213 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.050 9.922 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.447 10.836 0.103 1.00 0.00 H new ATOM 284 N ILE A 31 6.856 12.230 0.295 1.00 0.00 N ATOM 285 CA ILE A 31 6.184 13.376 -0.338 1.00 0.00 C ATOM 286 C ILE A 31 4.881 13.691 0.360 1.00 0.00 C ATOM 287 O ILE A 31 4.490 14.859 0.458 1.00 0.00 O ATOM 288 CB ILE A 31 5.921 13.063 -1.844 1.00 0.00 C ATOM 289 CG1 ILE A 31 7.293 12.880 -2.589 1.00 0.00 C ATOM 290 CG2 ILE A 31 5.107 14.232 -2.526 1.00 0.00 C ATOM 291 CD1 ILE A 31 7.086 12.263 -3.992 1.00 0.00 C ATOM 0 H ILE A 31 6.698 11.340 -0.177 1.00 0.00 H new ATOM 0 HA ILE A 31 6.833 14.248 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 31 5.336 12.146 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.791 13.845 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.948 12.239 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.935 13.992 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.149 14.352 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.674 15.160 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.051 12.148 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.610 11.287 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.451 12.919 -4.588 1.00 0.00 H new ATOM 303 N GLN A 32 4.184 12.654 0.806 1.00 0.00 N ATOM 304 CA GLN A 32 2.888 12.834 1.450 1.00 0.00 C ATOM 305 C GLN A 32 3.036 13.741 2.663 1.00 0.00 C ATOM 306 O GLN A 32 2.382 14.777 2.751 1.00 0.00 O ATOM 307 CB GLN A 32 2.300 11.466 1.872 1.00 0.00 C ATOM 308 CG GLN A 32 0.862 11.628 2.441 1.00 0.00 C ATOM 309 CD GLN A 32 0.287 10.273 2.846 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.813 9.623 3.747 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.762 9.818 2.228 1.00 0.00 N ATOM 0 H GLN A 32 4.492 11.684 0.735 1.00 0.00 H new ATOM 0 HA GLN A 32 2.203 13.299 0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.282 10.794 1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.942 11.006 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.880 12.294 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.220 12.093 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.191 10.365 1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.156 8.914 2.489 1.00 0.00 H new ATOM 320 N GLU A 33 3.910 13.320 3.589 1.00 0.00 N ATOM 321 CA GLU A 33 4.157 14.075 4.816 1.00 0.00 C ATOM 322 C GLU A 33 4.719 15.432 4.488 1.00 0.00 C ATOM 323 O GLU A 33 4.202 16.442 4.949 1.00 0.00 O ATOM 324 CB GLU A 33 5.152 13.320 5.718 1.00 0.00 C ATOM 325 CG GLU A 33 4.570 11.947 6.120 1.00 0.00 C ATOM 326 CD GLU A 33 5.558 11.200 7.020 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.725 11.173 6.675 1.00 0.00 O ATOM 328 OE2 GLU A 33 5.135 10.675 8.040 1.00 0.00 O ATOM 0 H GLU A 33 4.455 12.461 3.507 1.00 0.00 H new ATOM 0 HA GLU A 33 3.209 14.192 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.098 13.183 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.364 13.909 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.623 12.083 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.361 11.357 5.228 1.00 0.00 H new ATOM 335 N ALA A 34 5.834 15.444 3.733 1.00 0.00 N ATOM 336 CA ALA A 34 6.518 16.688 3.411 1.00 0.00 C ATOM 337 C ALA A 34 5.517 17.724 3.028 1.00 0.00 C ATOM 338 O ALA A 34 5.510 18.773 3.633 1.00 0.00 O ATOM 339 CB ALA A 34 7.478 16.493 2.220 1.00 0.00 C ATOM 0 H ALA A 34 6.269 14.608 3.343 1.00 0.00 H new ATOM 0 HA ALA A 34 7.082 16.999 4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.978 17.436 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.223 15.738 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.913 16.167 1.347 1.00 0.00 H new ATOM 345 N LEU A 35 4.686 17.414 2.029 1.00 0.00 N ATOM 346 CA LEU A 35 3.696 18.389 1.588 1.00 0.00 C ATOM 347 C LEU A 35 2.595 18.575 2.641 1.00 0.00 C ATOM 348 O LEU A 35 2.345 19.688 3.091 1.00 0.00 O ATOM 349 CB LEU A 35 3.099 17.970 0.241 1.00 0.00 C ATOM 350 CG LEU A 35 2.093 19.064 -0.345 1.00 0.00 C ATOM 351 CD1 LEU A 35 0.652 19.036 0.340 1.00 0.00 C ATOM 352 CD2 LEU A 35 2.720 20.519 -0.292 1.00 0.00 C ATOM 0 H LEU A 35 4.679 16.526 1.527 1.00 0.00 H new ATOM 0 HA LEU A 35 4.196 19.349 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.904 17.801 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.573 17.023 0.359 1.00 0.00 H new ATOM 0 HG LEU A 35 1.939 18.793 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.022 19.805 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.195 18.058 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.753 19.226 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.008 21.237 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.948 20.780 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.636 20.542 -0.882 1.00 0.00 H new ATOM 364 N ALA A 36 1.888 17.491 2.961 1.00 0.00 N ATOM 365 CA ALA A 36 0.755 17.545 3.909 1.00 0.00 C ATOM 366 C ALA A 36 1.158 18.305 5.183 1.00 0.00 C ATOM 367 O ALA A 36 0.575 19.328 5.549 1.00 0.00 O ATOM 368 CB ALA A 36 0.322 16.111 4.253 1.00 0.00 C ATOM 0 H ALA A 36 2.073 16.562 2.583 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.079 18.076 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.514 16.141 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.015 15.595 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.157 15.578 4.708 1.00 0.00 H new ATOM 374 N HIS A 37 2.209 17.777 5.794 1.00 0.00 N ATOM 375 CA HIS A 37 2.811 18.342 7.008 1.00 0.00 C ATOM 376 C HIS A 37 3.639 19.576 6.659 1.00 0.00 C ATOM 377 O HIS A 37 4.584 19.904 7.384 1.00 0.00 O ATOM 378 CB HIS A 37 3.728 17.283 7.718 1.00 0.00 C ATOM 379 CG HIS A 37 4.074 17.789 9.098 1.00 0.00 C ATOM 380 ND1 HIS A 37 5.376 18.041 9.494 1.00 0.00 N ATOM 381 CD2 HIS A 37 3.278 18.148 10.151 1.00 0.00 C ATOM 382 CE1 HIS A 37 5.322 18.535 10.746 1.00 0.00 C ATOM 383 NE2 HIS A 37 4.067 18.618 11.193 1.00 0.00 N ATOM 0 H HIS A 37 2.678 16.934 5.462 1.00 0.00 H new ATOM 0 HA HIS A 37 2.006 18.624 7.686 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.215 16.324 7.785 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.636 17.119 7.137 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.201 18.077 10.169 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.189 18.828 11.319 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.755 18.954 12.104 1.00 0.00 H new ATOM 391 N ALA A 38 3.286 20.278 5.566 1.00 0.00 N ATOM 392 CA ALA A 38 4.028 21.494 5.161 1.00 0.00 C ATOM 393 C ALA A 38 3.192 22.731 5.281 1.00 0.00 C ATOM 394 O ALA A 38 3.615 23.655 5.975 1.00 0.00 O ATOM 395 CB ALA A 38 4.488 21.397 3.680 1.00 0.00 C ATOM 0 H ALA A 38 2.507 20.033 4.955 1.00 0.00 H new ATOM 0 HA ALA A 38 4.884 21.559 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.030 22.302 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.140 20.532 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.616 21.288 3.035 1.00 0.00 H new ATOM 401 N ASP A 39 1.996 22.719 4.596 1.00 0.00 N ATOM 402 CA ASP A 39 1.029 23.883 4.555 1.00 0.00 C ATOM 403 C ASP A 39 1.672 25.131 5.195 1.00 0.00 C ATOM 404 O ASP A 39 1.125 25.740 6.113 1.00 0.00 O ATOM 405 CB ASP A 39 -0.294 23.532 5.281 1.00 0.00 C ATOM 406 CG ASP A 39 -0.953 22.313 4.634 1.00 0.00 C ATOM 407 OD1 ASP A 39 -1.183 22.367 3.437 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.230 21.358 5.339 1.00 0.00 O ATOM 0 H ASP A 39 1.676 21.911 4.061 1.00 0.00 H new ATOM 0 HA ASP A 39 0.798 24.097 3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.095 23.330 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.974 24.383 5.243 1.00 0.00 H new ATOM 413 N ALA A 40 2.912 25.426 4.751 1.00 0.00 N ATOM 414 CA ALA A 40 3.711 26.500 5.332 1.00 0.00 C ATOM 415 C ALA A 40 3.000 27.816 5.187 1.00 0.00 C ATOM 416 O ALA A 40 2.812 28.548 6.164 1.00 0.00 O ATOM 417 CB ALA A 40 5.108 26.553 4.656 1.00 0.00 C ATOM 0 H ALA A 40 3.373 24.928 3.990 1.00 0.00 H new ATOM 0 HA ALA A 40 3.849 26.301 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.695 27.358 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.622 25.604 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.989 26.735 3.588 1.00 0.00 H new ATOM 423 N ASN A 41 2.593 28.108 3.954 1.00 0.00 N ATOM 424 CA ASN A 41 1.880 29.342 3.650 1.00 0.00 C ATOM 425 C ASN A 41 0.413 29.214 4.031 1.00 0.00 C ATOM 426 O ASN A 41 -0.291 30.219 4.094 1.00 0.00 O ATOM 427 CB ASN A 41 2.021 29.644 2.141 1.00 0.00 C ATOM 428 CG ASN A 41 1.568 28.442 1.300 1.00 0.00 C ATOM 429 OD1 ASN A 41 0.654 27.713 1.688 1.00 0.00 O ATOM 430 ND2 ASN A 41 2.166 28.194 0.169 1.00 0.00 N ATOM 0 H ASN A 41 2.747 27.503 3.147 1.00 0.00 H new ATOM 0 HA ASN A 41 2.308 30.162 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.425 30.519 1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.058 29.886 1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.877 27.395 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.923 28.798 -0.151 1.00 0.00 H new ATOM 437 N ALA A 42 -0.055 27.977 4.268 1.00 0.00 N ATOM 438 CA ALA A 42 -1.464 27.744 4.632 1.00 0.00 C ATOM 439 C ALA A 42 -2.408 28.406 3.609 1.00 0.00 C ATOM 440 O ALA A 42 -3.260 29.219 3.972 1.00 0.00 O ATOM 441 CB ALA A 42 -1.732 28.302 6.051 1.00 0.00 C ATOM 0 H ALA A 42 0.513 27.132 4.215 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.657 26.671 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.774 28.129 6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.084 27.798 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.526 29.372 6.066 1.00 0.00 H new ATOM 447 N ASP A 43 -2.241 28.053 2.325 1.00 0.00 N ATOM 448 CA ASP A 43 -3.065 28.612 1.230 1.00 0.00 C ATOM 449 C ASP A 43 -4.043 27.565 0.738 1.00 0.00 C ATOM 450 O ASP A 43 -5.001 27.894 0.046 1.00 0.00 O ATOM 451 CB ASP A 43 -2.145 29.057 0.071 1.00 0.00 C ATOM 452 CG ASP A 43 -1.296 27.887 -0.462 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.309 26.823 0.145 1.00 0.00 O ATOM 454 OD2 ASP A 43 -0.647 28.077 -1.475 1.00 0.00 O ATOM 0 H ASP A 43 -1.541 27.380 2.014 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.623 29.472 1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.750 29.466 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.489 29.857 0.414 1.00 0.00 H new ATOM 459 N GLN A 44 -3.798 26.305 1.112 1.00 0.00 N ATOM 460 CA GLN A 44 -4.676 25.190 0.726 1.00 0.00 C ATOM 461 C GLN A 44 -4.581 24.931 -0.775 1.00 0.00 C ATOM 462 O GLN A 44 -5.360 24.157 -1.317 1.00 0.00 O ATOM 463 CB GLN A 44 -6.166 25.502 1.123 1.00 0.00 C ATOM 464 CG GLN A 44 -6.986 24.208 1.333 1.00 0.00 C ATOM 465 CD GLN A 44 -8.432 24.547 1.683 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.698 25.560 2.335 1.00 0.00 O ATOM 467 NE2 GLN A 44 -9.376 23.767 1.265 1.00 0.00 N ATOM 0 H GLN A 44 -2.999 26.029 1.682 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.349 24.297 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.182 26.095 2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.631 26.105 0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.957 23.600 0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.542 23.613 2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.146 22.932 0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.350 23.988 1.474 1.00 0.00 H new ATOM 476 N HIS A 45 -3.638 25.596 -1.449 1.00 0.00 N ATOM 477 CA HIS A 45 -3.446 25.462 -2.904 1.00 0.00 C ATOM 478 C HIS A 45 -2.055 24.965 -3.146 1.00 0.00 C ATOM 479 O HIS A 45 -1.246 24.921 -2.222 1.00 0.00 O ATOM 480 CB HIS A 45 -3.647 26.834 -3.588 1.00 0.00 C ATOM 481 CG HIS A 45 -5.060 27.307 -3.385 1.00 0.00 C ATOM 482 ND1 HIS A 45 -5.864 26.835 -2.360 1.00 0.00 N ATOM 483 CD2 HIS A 45 -5.827 28.202 -4.079 1.00 0.00 C ATOM 484 CE1 HIS A 45 -7.056 27.441 -2.464 1.00 0.00 C ATOM 485 NE2 HIS A 45 -7.089 28.287 -3.497 1.00 0.00 N ATOM 0 H HIS A 45 -2.985 26.242 -1.006 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.171 24.762 -3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.948 27.561 -3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.431 26.754 -4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.503 28.758 -4.946 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.886 27.267 -1.795 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.871 28.870 -3.795 1.00 0.00 H new ATOM 493 N LEU A 46 -1.798 24.590 -4.400 1.00 0.00 N ATOM 494 CA LEU A 46 -0.492 24.054 -4.822 1.00 0.00 C ATOM 495 C LEU A 46 0.086 24.857 -5.974 1.00 0.00 C ATOM 496 O LEU A 46 -0.319 24.677 -7.133 1.00 0.00 O ATOM 497 CB LEU A 46 -0.631 22.539 -5.261 1.00 0.00 C ATOM 498 CG LEU A 46 -0.031 21.555 -4.193 1.00 0.00 C ATOM 499 CD1 LEU A 46 -0.826 21.626 -2.851 1.00 0.00 C ATOM 500 CD2 LEU A 46 0.008 20.105 -4.755 1.00 0.00 C ATOM 0 H LEU A 46 -2.483 24.647 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 46 0.183 24.127 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.683 22.303 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.124 22.391 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 46 0.992 21.863 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.388 20.934 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.780 22.640 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.866 21.353 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.426 19.435 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.003 19.784 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.629 20.078 -5.651 1.00 0.00 H new ATOM 512 N ASP A 47 1.056 25.708 -5.659 1.00 0.00 N ATOM 513 CA ASP A 47 1.760 26.498 -6.643 1.00 0.00 C ATOM 514 C ASP A 47 3.108 25.836 -6.853 1.00 0.00 C ATOM 515 O ASP A 47 3.697 25.314 -5.901 1.00 0.00 O ATOM 516 CB ASP A 47 1.929 27.936 -6.134 1.00 0.00 C ATOM 517 CG ASP A 47 0.541 28.534 -5.892 1.00 0.00 C ATOM 518 OD1 ASP A 47 -0.296 28.379 -6.766 1.00 0.00 O ATOM 519 OD2 ASP A 47 0.335 29.122 -4.844 1.00 0.00 O ATOM 0 H ASP A 47 1.373 25.865 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 47 1.210 26.548 -7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.511 27.945 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.477 28.533 -6.863 1.00 0.00 H new ATOM 524 N PHE A 48 3.548 25.830 -8.105 1.00 0.00 N ATOM 525 CA PHE A 48 4.808 25.196 -8.508 1.00 0.00 C ATOM 526 C PHE A 48 5.925 25.438 -7.499 1.00 0.00 C ATOM 527 O PHE A 48 6.578 24.510 -7.081 1.00 0.00 O ATOM 528 CB PHE A 48 5.264 25.767 -9.885 1.00 0.00 C ATOM 529 CG PHE A 48 6.287 24.812 -10.528 1.00 0.00 C ATOM 530 CD1 PHE A 48 5.838 23.587 -11.056 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.667 25.120 -10.582 1.00 0.00 C ATOM 532 CE1 PHE A 48 6.738 22.685 -11.632 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.569 24.207 -11.170 1.00 0.00 C ATOM 534 CZ PHE A 48 8.100 22.995 -11.692 1.00 0.00 C ATOM 0 H PHE A 48 3.043 26.265 -8.877 1.00 0.00 H new ATOM 0 HA PHE A 48 4.622 24.124 -8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.403 25.890 -10.542 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.707 26.754 -9.752 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.787 23.341 -11.016 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.030 26.052 -10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.380 21.747 -12.031 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.622 24.443 -11.217 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.792 22.298 -12.142 1.00 0.00 H new ATOM 544 N ASP A 49 6.088 26.703 -7.076 1.00 0.00 N ATOM 545 CA ASP A 49 7.130 27.074 -6.113 1.00 0.00 C ATOM 546 C ASP A 49 7.099 26.173 -4.880 1.00 0.00 C ATOM 547 O ASP A 49 8.125 25.630 -4.470 1.00 0.00 O ATOM 548 CB ASP A 49 6.916 28.552 -5.681 1.00 0.00 C ATOM 549 CG ASP A 49 5.506 28.752 -5.118 1.00 0.00 C ATOM 550 OD1 ASP A 49 5.328 28.548 -3.927 1.00 0.00 O ATOM 551 OD2 ASP A 49 4.633 29.110 -5.884 1.00 0.00 O ATOM 0 H ASP A 49 5.510 27.483 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 49 8.101 26.953 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.656 28.827 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.069 29.212 -6.535 1.00 0.00 H new ATOM 556 N GLU A 50 5.908 26.026 -4.304 1.00 0.00 N ATOM 557 CA GLU A 50 5.741 25.193 -3.112 1.00 0.00 C ATOM 558 C GLU A 50 6.165 23.751 -3.398 1.00 0.00 C ATOM 559 O GLU A 50 6.969 23.181 -2.682 1.00 0.00 O ATOM 560 CB GLU A 50 4.262 25.217 -2.645 1.00 0.00 C ATOM 561 CG GLU A 50 4.086 24.471 -1.286 1.00 0.00 C ATOM 562 CD GLU A 50 2.633 24.501 -0.803 1.00 0.00 C ATOM 563 OE1 GLU A 50 1.893 25.367 -1.241 1.00 0.00 O ATOM 564 OE2 GLU A 50 2.288 23.659 0.014 1.00 0.00 O ATOM 0 H GLU A 50 5.051 26.467 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 50 6.375 25.597 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.927 26.249 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.631 24.752 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.411 23.436 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.728 24.930 -0.534 1.00 0.00 H new ATOM 571 N TRP A 51 5.611 23.190 -4.469 1.00 0.00 N ATOM 572 CA TRP A 51 5.913 21.815 -4.856 1.00 0.00 C ATOM 573 C TRP A 51 7.328 21.697 -5.394 1.00 0.00 C ATOM 574 O TRP A 51 7.876 20.595 -5.469 1.00 0.00 O ATOM 575 CB TRP A 51 4.910 21.342 -5.945 1.00 0.00 C ATOM 576 CG TRP A 51 5.092 19.864 -6.186 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.990 19.304 -7.039 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.393 18.763 -5.547 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.876 17.932 -6.962 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.899 17.550 -6.067 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.371 18.699 -4.582 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.415 16.314 -5.646 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.877 17.451 -4.155 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.397 16.261 -4.688 1.00 0.00 C ATOM 0 H TRP A 51 4.951 23.666 -5.084 1.00 0.00 H new ATOM 0 HA TRP A 51 5.824 21.187 -3.970 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.888 21.547 -5.627 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.073 21.895 -6.870 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.679 19.844 -7.672 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.445 17.279 -7.501 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.964 19.610 -4.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.823 15.402 -6.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.093 17.409 -3.413 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.012 15.307 -4.359 1.00 0.00 H new ATOM 595 N ARG A 52 7.908 22.826 -5.787 1.00 0.00 N ATOM 596 CA ARG A 52 9.252 22.823 -6.351 1.00 0.00 C ATOM 597 C ARG A 52 10.334 22.742 -5.293 1.00 0.00 C ATOM 598 O ARG A 52 11.125 21.818 -5.279 1.00 0.00 O ATOM 599 CB ARG A 52 9.476 24.116 -7.176 1.00 0.00 C ATOM 600 CG ARG A 52 10.826 24.076 -7.957 1.00 0.00 C ATOM 601 CD ARG A 52 11.093 25.425 -8.636 1.00 0.00 C ATOM 602 NE ARG A 52 11.304 26.453 -7.606 1.00 0.00 N ATOM 603 CZ ARG A 52 11.553 27.725 -7.923 1.00 0.00 C ATOM 604 NH1 ARG A 52 11.608 28.076 -9.182 1.00 0.00 N ATOM 605 NH2 ARG A 52 11.738 28.613 -6.988 1.00 0.00 N ATOM 0 H ARG A 52 7.473 23.747 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 52 9.324 21.935 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.653 24.246 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.466 24.979 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.641 23.838 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.797 23.285 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.969 25.354 -9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.251 25.698 -9.272 1.00 0.00 H new ATOM 0 HE ARG A 52 11.259 26.187 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.461 27.379 -9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.798 29.046 -9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.693 28.338 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.928 29.584 -7.237 1.00 0.00 H new ATOM 619 N GLN A 53 10.375 23.765 -4.445 1.00 0.00 N ATOM 620 CA GLN A 53 11.424 23.864 -3.427 1.00 0.00 C ATOM 621 C GLN A 53 11.269 22.822 -2.362 1.00 0.00 C ATOM 622 O GLN A 53 12.262 22.309 -1.829 1.00 0.00 O ATOM 623 CB GLN A 53 11.411 25.275 -2.774 1.00 0.00 C ATOM 624 CG GLN A 53 12.653 25.473 -1.852 1.00 0.00 C ATOM 625 CD GLN A 53 12.640 26.857 -1.211 1.00 0.00 C ATOM 626 OE1 GLN A 53 11.722 27.180 -0.461 1.00 0.00 O ATOM 627 NE2 GLN A 53 13.615 27.683 -1.455 1.00 0.00 N ATOM 0 H GLN A 53 9.703 24.532 -4.439 1.00 0.00 H new ATOM 0 HA GLN A 53 12.377 23.698 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.404 26.040 -3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.498 25.403 -2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.660 24.708 -1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.566 25.346 -2.433 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.373 27.407 -2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.621 28.607 -1.022 1.00 0.00 H new ATOM 636 N GLU A 54 10.019 22.543 -2.019 1.00 0.00 N ATOM 637 CA GLU A 54 9.731 21.606 -0.941 1.00 0.00 C ATOM 638 C GLU A 54 10.284 20.230 -1.216 1.00 0.00 C ATOM 639 O GLU A 54 10.987 19.655 -0.392 1.00 0.00 O ATOM 640 CB GLU A 54 8.197 21.498 -0.715 1.00 0.00 C ATOM 641 CG GLU A 54 7.854 20.634 0.545 1.00 0.00 C ATOM 642 CD GLU A 54 8.360 21.319 1.828 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.409 22.542 1.843 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.725 20.615 2.757 1.00 0.00 O ATOM 0 H GLU A 54 9.196 22.947 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 54 10.217 21.996 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.776 22.496 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.730 21.057 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.776 20.485 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.308 19.647 0.450 1.00 0.00 H new ATOM 651 N LEU A 55 9.895 19.687 -2.353 1.00 0.00 N ATOM 652 CA LEU A 55 10.275 18.328 -2.718 1.00 0.00 C ATOM 653 C LEU A 55 11.738 18.237 -3.068 1.00 0.00 C ATOM 654 O LEU A 55 12.363 17.213 -2.884 1.00 0.00 O ATOM 655 CB LEU A 55 9.407 17.835 -3.931 1.00 0.00 C ATOM 656 CG LEU A 55 8.947 16.351 -3.760 1.00 0.00 C ATOM 657 CD1 LEU A 55 8.073 15.928 -4.962 1.00 0.00 C ATOM 658 CD2 LEU A 55 10.170 15.397 -3.595 1.00 0.00 C ATOM 0 H LEU A 55 9.315 20.163 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 55 10.094 17.688 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.531 18.476 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.983 17.932 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 55 8.350 16.276 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.757 14.893 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.195 16.572 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.650 16.021 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.819 14.372 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.806 15.464 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.742 15.687 -2.713 1.00 0.00 H new ATOM 670 N LYS A 56 12.265 19.304 -3.635 1.00 0.00 N ATOM 671 CA LYS A 56 13.652 19.290 -4.079 1.00 0.00 C ATOM 672 C LYS A 56 14.640 18.935 -2.967 1.00 0.00 C ATOM 673 O LYS A 56 15.530 18.111 -3.177 1.00 0.00 O ATOM 674 CB LYS A 56 14.016 20.676 -4.624 1.00 0.00 C ATOM 675 CG LYS A 56 15.424 20.675 -5.288 1.00 0.00 C ATOM 676 CD LYS A 56 15.760 22.063 -5.893 1.00 0.00 C ATOM 677 CE LYS A 56 15.922 23.154 -4.793 1.00 0.00 C ATOM 678 NZ LYS A 56 16.568 24.333 -5.391 1.00 0.00 N ATOM 0 H LYS A 56 11.768 20.179 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 56 13.730 18.518 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.269 20.989 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.995 21.404 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.178 20.406 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.460 19.916 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 56 16.680 21.993 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.970 22.359 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.949 23.424 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.522 22.772 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.683 25.071 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.501 24.066 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.977 24.697 -6.166 1.00 0.00 H new ATOM 692 N CYS A 57 14.500 19.585 -1.811 1.00 0.00 N ATOM 693 CA CYS A 57 15.431 19.365 -0.693 1.00 0.00 C ATOM 694 C CYS A 57 15.416 17.910 -0.233 1.00 0.00 C ATOM 695 O CYS A 57 16.224 17.514 0.601 1.00 0.00 O ATOM 696 CB CYS A 57 15.049 20.304 0.473 1.00 0.00 C ATOM 697 SG CYS A 57 13.411 19.869 1.135 1.00 0.00 S ATOM 0 H CYS A 57 13.761 20.262 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 57 16.443 19.588 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.797 20.234 1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.045 21.338 0.128 1.00 0.00 H new ATOM 0 HG CYS A 57 12.528 19.927 0.182 1.00 0.00 H new ATOM 703 N ARG A 58 14.469 17.129 -0.755 1.00 0.00 N ATOM 704 CA ARG A 58 14.305 15.720 -0.376 1.00 0.00 C ATOM 705 C ARG A 58 15.210 14.832 -1.202 1.00 0.00 C ATOM 706 O ARG A 58 14.974 13.628 -1.323 1.00 0.00 O ATOM 707 CB ARG A 58 12.824 15.298 -0.559 1.00 0.00 C ATOM 708 CG ARG A 58 11.862 16.330 0.117 1.00 0.00 C ATOM 709 CD ARG A 58 12.091 16.378 1.644 1.00 0.00 C ATOM 710 NE ARG A 58 11.031 17.147 2.301 1.00 0.00 N ATOM 711 CZ ARG A 58 10.984 17.266 3.634 1.00 0.00 C ATOM 712 NH1 ARG A 58 11.901 16.689 4.375 1.00 0.00 N ATOM 713 NH2 ARG A 58 10.033 17.948 4.184 1.00 0.00 N ATOM 0 H ARG A 58 13.795 17.451 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 58 14.584 15.606 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.592 15.221 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.667 14.310 -0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.025 17.319 -0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.827 16.059 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.115 15.365 2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.060 16.828 1.858 1.00 0.00 H new ATOM 0 HE ARG A 58 10.316 17.600 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.648 16.151 3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.867 16.779 5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.322 18.393 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.993 18.041 5.199 1.00 0.00 H new ATOM 727 N GLY A 59 16.258 15.426 -1.764 1.00 0.00 N ATOM 728 CA GLY A 59 17.223 14.684 -2.571 1.00 0.00 C ATOM 729 C GLY A 59 16.723 14.484 -3.989 1.00 0.00 C ATOM 730 O GLY A 59 17.279 13.676 -4.724 1.00 0.00 O ATOM 0 H GLY A 59 16.462 16.422 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.172 15.220 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.415 13.714 -2.111 1.00 0.00 H new ATOM 734 N HIS A 60 15.673 15.227 -4.384 1.00 0.00 N ATOM 735 CA HIS A 60 15.095 15.140 -5.741 1.00 0.00 C ATOM 736 C HIS A 60 15.533 16.355 -6.545 1.00 0.00 C ATOM 737 O HIS A 60 15.851 17.400 -5.979 1.00 0.00 O ATOM 738 CB HIS A 60 13.550 15.109 -5.645 1.00 0.00 C ATOM 739 CG HIS A 60 13.117 13.893 -4.872 1.00 0.00 C ATOM 740 ND1 HIS A 60 13.902 13.320 -3.883 1.00 0.00 N ATOM 741 CD2 HIS A 60 11.989 13.123 -4.948 1.00 0.00 C ATOM 742 CE1 HIS A 60 13.236 12.252 -3.409 1.00 0.00 C ATOM 743 NE2 HIS A 60 12.064 12.087 -4.025 1.00 0.00 N ATOM 0 H HIS A 60 15.203 15.900 -3.778 1.00 0.00 H new ATOM 0 HA HIS A 60 15.441 14.230 -6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 60 13.188 16.012 -5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 60 13.114 15.092 -6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 60 11.164 13.294 -5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 60 13.605 11.607 -2.625 1.00 0.00 H new ATOM 0 HE2 HIS A 60 11.372 11.357 -3.855 1.00 0.00 H new ATOM 751 N ALA A 61 15.558 16.204 -7.872 1.00 0.00 N ATOM 752 CA ALA A 61 15.958 17.281 -8.778 1.00 0.00 C ATOM 753 C ALA A 61 14.759 18.156 -9.065 1.00 0.00 C ATOM 754 O ALA A 61 13.635 17.795 -8.741 1.00 0.00 O ATOM 755 CB ALA A 61 16.498 16.668 -10.089 1.00 0.00 C ATOM 0 H ALA A 61 15.303 15.337 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 61 16.741 17.886 -8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.797 17.467 -10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.359 16.037 -9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.719 16.067 -10.558 1.00 0.00 H new ATOM 761 N ASP A 62 15.018 19.311 -9.668 1.00 0.00 N ATOM 762 CA ASP A 62 13.971 20.277 -10.020 1.00 0.00 C ATOM 763 C ASP A 62 13.210 19.861 -11.282 1.00 0.00 C ATOM 764 O ASP A 62 12.025 20.154 -11.430 1.00 0.00 O ATOM 765 CB ASP A 62 14.604 21.670 -10.252 1.00 0.00 C ATOM 766 CG ASP A 62 13.514 22.740 -10.304 1.00 0.00 C ATOM 767 OD1 ASP A 62 13.177 23.240 -9.251 1.00 0.00 O ATOM 768 OD2 ASP A 62 13.019 23.017 -11.387 1.00 0.00 O ATOM 0 H ASP A 62 15.958 19.609 -9.929 1.00 0.00 H new ATOM 0 HA ASP A 62 13.264 20.311 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.308 21.896 -9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.170 21.670 -11.184 1.00 0.00 H new ATOM 773 N ALA A 63 13.928 19.216 -12.204 1.00 0.00 N ATOM 774 CA ALA A 63 13.359 18.775 -13.484 1.00 0.00 C ATOM 775 C ALA A 63 12.520 17.513 -13.347 1.00 0.00 C ATOM 776 O ALA A 63 11.456 17.392 -13.936 1.00 0.00 O ATOM 777 CB ALA A 63 14.489 18.530 -14.509 1.00 0.00 C ATOM 0 H ALA A 63 14.915 18.985 -12.088 1.00 0.00 H new ATOM 0 HA ALA A 63 12.701 19.572 -13.830 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.057 18.203 -15.455 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.046 19.454 -14.664 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.162 17.760 -14.132 1.00 0.00 H new ATOM 783 N ASP A 64 13.047 16.539 -12.601 1.00 0.00 N ATOM 784 CA ASP A 64 12.374 15.244 -12.443 1.00 0.00 C ATOM 785 C ASP A 64 10.970 15.391 -11.854 1.00 0.00 C ATOM 786 O ASP A 64 10.027 14.745 -12.319 1.00 0.00 O ATOM 787 CB ASP A 64 13.225 14.337 -11.515 1.00 0.00 C ATOM 788 CG ASP A 64 14.605 14.060 -12.113 1.00 0.00 C ATOM 789 OD1 ASP A 64 14.752 14.164 -13.324 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.502 13.744 -11.347 1.00 0.00 O ATOM 0 H ASP A 64 13.931 16.620 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 64 12.273 14.799 -13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.338 14.815 -10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.704 13.394 -11.348 1.00 0.00 H new ATOM 795 N ILE A 65 10.838 16.245 -10.840 1.00 0.00 N ATOM 796 CA ILE A 65 9.556 16.458 -10.180 1.00 0.00 C ATOM 797 C ILE A 65 8.572 17.164 -11.093 1.00 0.00 C ATOM 798 O ILE A 65 7.366 17.083 -10.881 1.00 0.00 O ATOM 799 CB ILE A 65 9.795 17.288 -8.885 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.466 18.673 -9.230 1.00 0.00 C ATOM 801 CG2 ILE A 65 10.709 16.472 -7.922 1.00 0.00 C ATOM 802 CD1 ILE A 65 10.570 19.570 -7.985 1.00 0.00 C ATOM 0 H ILE A 65 11.605 16.800 -10.459 1.00 0.00 H new ATOM 0 HA ILE A 65 9.120 15.491 -9.927 1.00 0.00 H new ATOM 0 HB ILE A 65 8.838 17.487 -8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.460 18.505 -9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.883 19.180 -9.999 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.882 17.046 -7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.223 15.530 -7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.662 16.269 -8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.037 20.517 -8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.573 19.758 -7.588 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.174 19.072 -7.227 1.00 0.00 H new ATOM 814 N GLU A 66 9.091 17.895 -12.081 1.00 0.00 N ATOM 815 CA GLU A 66 8.236 18.657 -12.991 1.00 0.00 C ATOM 816 C GLU A 66 7.309 17.726 -13.766 1.00 0.00 C ATOM 817 O GLU A 66 6.147 18.057 -14.000 1.00 0.00 O ATOM 818 CB GLU A 66 9.105 19.467 -13.983 1.00 0.00 C ATOM 819 CG GLU A 66 8.242 20.476 -14.797 1.00 0.00 C ATOM 820 CD GLU A 66 9.097 21.295 -15.773 1.00 0.00 C ATOM 821 OE1 GLU A 66 10.301 21.364 -15.574 1.00 0.00 O ATOM 822 OE2 GLU A 66 8.530 21.832 -16.711 1.00 0.00 O ATOM 0 H GLU A 66 10.090 17.975 -12.270 1.00 0.00 H new ATOM 0 HA GLU A 66 7.630 19.342 -12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.879 20.005 -13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.613 18.786 -14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.475 19.935 -15.351 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.726 21.149 -14.112 1.00 0.00 H new ATOM 829 N ALA A 67 7.849 16.570 -14.171 1.00 0.00 N ATOM 830 CA ALA A 67 7.079 15.592 -14.944 1.00 0.00 C ATOM 831 C ALA A 67 5.962 15.003 -14.098 1.00 0.00 C ATOM 832 O ALA A 67 4.844 14.808 -14.574 1.00 0.00 O ATOM 833 CB ALA A 67 8.017 14.465 -15.438 1.00 0.00 C ATOM 0 H ALA A 67 8.811 16.291 -13.977 1.00 0.00 H new ATOM 0 HA ALA A 67 6.634 16.095 -15.802 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.442 13.739 -16.013 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.797 14.891 -16.069 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.474 13.970 -14.581 1.00 0.00 H new ATOM 839 N VAL A 68 6.288 14.714 -12.831 1.00 0.00 N ATOM 840 CA VAL A 68 5.327 14.133 -11.897 1.00 0.00 C ATOM 841 C VAL A 68 4.279 15.159 -11.507 1.00 0.00 C ATOM 842 O VAL A 68 3.109 14.813 -11.312 1.00 0.00 O ATOM 843 CB VAL A 68 6.045 13.599 -10.620 1.00 0.00 C ATOM 844 CG1 VAL A 68 5.035 12.849 -9.691 1.00 0.00 C ATOM 845 CG2 VAL A 68 7.200 12.647 -11.037 1.00 0.00 C ATOM 0 H VAL A 68 7.213 14.875 -12.433 1.00 0.00 H new ATOM 0 HA VAL A 68 4.838 13.297 -12.396 1.00 0.00 H new ATOM 0 HB VAL A 68 6.454 14.443 -10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.556 12.484 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.242 13.533 -9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.602 12.006 -10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.703 12.273 -10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.794 11.809 -11.603 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.914 13.191 -11.655 1.00 0.00 H new ATOM 855 N PHE A 69 4.706 16.421 -11.370 1.00 0.00 N ATOM 856 CA PHE A 69 3.808 17.487 -10.961 1.00 0.00 C ATOM 857 C PHE A 69 2.902 17.892 -12.130 1.00 0.00 C ATOM 858 O PHE A 69 1.677 17.821 -12.030 1.00 0.00 O ATOM 859 CB PHE A 69 4.624 18.698 -10.484 1.00 0.00 C ATOM 860 CG PHE A 69 3.659 19.861 -10.152 1.00 0.00 C ATOM 861 CD1 PHE A 69 3.054 19.937 -8.885 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.342 20.833 -11.129 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.160 20.982 -8.592 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.446 21.874 -10.827 1.00 0.00 C ATOM 865 CZ PHE A 69 1.862 21.950 -9.559 1.00 0.00 C ATOM 0 H PHE A 69 5.667 16.719 -11.538 1.00 0.00 H new ATOM 0 HA PHE A 69 3.184 17.131 -10.141 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.210 18.433 -9.604 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.329 19.004 -11.257 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.276 19.192 -8.136 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.789 20.776 -12.110 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.701 21.038 -7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.209 22.616 -11.575 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.181 22.755 -9.325 1.00 0.00 H new ATOM 875 N ALA A 70 3.517 18.399 -13.219 1.00 0.00 N ATOM 876 CA ALA A 70 2.771 18.904 -14.406 1.00 0.00 C ATOM 877 C ALA A 70 1.577 18.024 -14.743 1.00 0.00 C ATOM 878 O ALA A 70 0.591 18.482 -15.302 1.00 0.00 O ATOM 879 CB ALA A 70 3.721 18.978 -15.617 1.00 0.00 C ATOM 0 H ALA A 70 4.531 18.472 -13.307 1.00 0.00 H new ATOM 0 HA ALA A 70 2.392 19.897 -14.165 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.175 19.347 -16.485 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.546 19.654 -15.392 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.115 17.985 -15.832 1.00 0.00 H new ATOM 885 N LYS A 71 1.673 16.776 -14.342 1.00 0.00 N ATOM 886 CA LYS A 71 0.623 15.779 -14.519 1.00 0.00 C ATOM 887 C LYS A 71 -0.709 16.260 -13.916 1.00 0.00 C ATOM 888 O LYS A 71 -1.744 15.649 -14.128 1.00 0.00 O ATOM 889 CB LYS A 71 1.031 14.437 -13.833 1.00 0.00 C ATOM 890 CG LYS A 71 0.219 13.247 -14.460 1.00 0.00 C ATOM 891 CD LYS A 71 0.308 11.970 -13.591 1.00 0.00 C ATOM 892 CE LYS A 71 1.790 11.537 -13.375 1.00 0.00 C ATOM 893 NZ LYS A 71 2.370 12.355 -12.271 1.00 0.00 N ATOM 0 H LYS A 71 2.501 16.410 -13.871 1.00 0.00 H new ATOM 0 HA LYS A 71 0.493 15.625 -15.590 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.100 14.265 -13.958 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.841 14.494 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.825 13.539 -14.572 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.599 13.034 -15.459 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.165 12.150 -12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.244 11.161 -14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.842 10.477 -13.127 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.363 11.679 -14.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.063 11.786 -11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.841 13.192 -12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.611 12.658 -11.628 1.00 0.00 H new ATOM 907 N TYR A 72 -0.657 17.355 -13.150 1.00 0.00 N ATOM 908 CA TYR A 72 -1.851 17.926 -12.494 1.00 0.00 C ATOM 909 C TYR A 72 -2.261 19.233 -13.135 1.00 0.00 C ATOM 910 O TYR A 72 -3.303 19.784 -12.789 1.00 0.00 O ATOM 911 CB TYR A 72 -1.547 18.144 -10.992 1.00 0.00 C ATOM 912 CG TYR A 72 -1.074 16.817 -10.368 1.00 0.00 C ATOM 913 CD1 TYR A 72 -1.911 15.677 -10.406 1.00 0.00 C ATOM 914 CD2 TYR A 72 0.206 16.703 -9.772 1.00 0.00 C ATOM 915 CE1 TYR A 72 -1.476 14.464 -9.855 1.00 0.00 C ATOM 916 CE2 TYR A 72 0.626 15.482 -9.229 1.00 0.00 C ATOM 917 CZ TYR A 72 -0.214 14.372 -9.271 1.00 0.00 C ATOM 918 OH TYR A 72 0.202 13.185 -8.719 1.00 0.00 O ATOM 0 H TYR A 72 0.203 17.871 -12.965 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.680 17.227 -12.610 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.780 18.909 -10.872 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.438 18.503 -10.478 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.888 15.742 -10.861 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.861 17.561 -9.736 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.121 13.598 -9.883 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.603 15.401 -8.777 1.00 0.00 H new ATOM 0 HH TYR A 72 1.106 13.292 -8.356 1.00 0.00 H new ATOM 928 N ASP A 73 -1.453 19.718 -14.078 1.00 0.00 N ATOM 929 CA ASP A 73 -1.757 20.968 -14.790 1.00 0.00 C ATOM 930 C ASP A 73 -2.519 20.634 -16.068 1.00 0.00 C ATOM 931 O ASP A 73 -2.081 20.959 -17.178 1.00 0.00 O ATOM 932 CB ASP A 73 -0.455 21.732 -15.132 1.00 0.00 C ATOM 933 CG ASP A 73 -0.772 23.118 -15.731 1.00 0.00 C ATOM 934 OD1 ASP A 73 -1.938 23.498 -15.747 1.00 0.00 O ATOM 935 OD2 ASP A 73 0.156 23.782 -16.161 1.00 0.00 O ATOM 0 H ASP A 73 -0.585 19.269 -14.369 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.366 21.608 -14.151 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.149 21.850 -14.233 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.137 21.152 -15.840 1.00 0.00 H new ATOM 940 N VAL A 74 -3.656 19.958 -15.915 1.00 0.00 N ATOM 941 CA VAL A 74 -4.462 19.541 -17.076 1.00 0.00 C ATOM 942 C VAL A 74 -4.852 20.755 -17.925 1.00 0.00 C ATOM 943 O VAL A 74 -4.765 20.710 -19.152 1.00 0.00 O ATOM 944 CB VAL A 74 -5.747 18.802 -16.600 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.593 18.312 -17.822 1.00 0.00 C ATOM 946 CG2 VAL A 74 -5.358 17.598 -15.697 1.00 0.00 C ATOM 0 H VAL A 74 -4.043 19.686 -15.011 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.862 18.864 -17.684 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.356 19.499 -16.025 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.486 17.799 -17.464 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.886 19.169 -18.429 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.998 17.627 -18.425 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.261 17.084 -15.367 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.733 16.906 -16.262 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.807 17.958 -14.828 1.00 0.00 H new ATOM 956 N ASP A 75 -5.301 21.827 -17.264 1.00 0.00 N ATOM 957 CA ASP A 75 -5.728 23.034 -17.965 1.00 0.00 C ATOM 958 C ASP A 75 -4.521 23.727 -18.586 1.00 0.00 C ATOM 959 O ASP A 75 -4.682 24.606 -19.431 1.00 0.00 O ATOM 960 CB ASP A 75 -6.452 23.970 -16.960 1.00 0.00 C ATOM 961 CG ASP A 75 -5.602 24.178 -15.695 1.00 0.00 C ATOM 962 OD1 ASP A 75 -4.388 24.142 -15.800 1.00 0.00 O ATOM 963 OD2 ASP A 75 -6.188 24.356 -14.634 1.00 0.00 O ATOM 0 H ASP A 75 -5.377 21.880 -16.248 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.418 22.777 -18.769 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.651 24.932 -17.432 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.417 23.542 -16.688 1.00 0.00 H new ATOM 968 N GLY A 76 -3.312 23.321 -18.172 1.00 0.00 N ATOM 969 CA GLY A 76 -2.081 23.912 -18.707 1.00 0.00 C ATOM 970 C GLY A 76 -1.925 25.339 -18.209 1.00 0.00 C ATOM 971 O GLY A 76 -1.082 26.080 -18.717 1.00 0.00 O ATOM 0 H GLY A 76 -3.163 22.592 -17.474 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.221 23.316 -18.402 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.107 23.900 -19.797 1.00 0.00 H new ATOM 975 N ASP A 77 -2.744 25.735 -17.207 1.00 0.00 N ATOM 976 CA ASP A 77 -2.676 27.110 -16.660 1.00 0.00 C ATOM 977 C ASP A 77 -1.684 27.172 -15.517 1.00 0.00 C ATOM 978 O ASP A 77 -1.254 28.254 -15.138 1.00 0.00 O ATOM 979 CB ASP A 77 -4.085 27.526 -16.177 1.00 0.00 C ATOM 980 CG ASP A 77 -5.077 27.509 -17.340 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.643 27.637 -18.478 1.00 0.00 O ATOM 982 OD2 ASP A 77 -6.257 27.371 -17.076 1.00 0.00 O ATOM 0 H ASP A 77 -3.445 25.137 -16.769 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.340 27.798 -17.436 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.422 26.847 -15.394 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.046 28.523 -15.739 1.00 0.00 H new ATOM 987 N ARG A 78 -1.298 25.998 -15.000 1.00 0.00 N ATOM 988 CA ARG A 78 -0.311 25.901 -13.907 1.00 0.00 C ATOM 989 C ARG A 78 -0.882 26.374 -12.570 1.00 0.00 C ATOM 990 O ARG A 78 -0.173 26.969 -11.757 1.00 0.00 O ATOM 991 CB ARG A 78 0.958 26.740 -14.275 1.00 0.00 C ATOM 992 CG ARG A 78 2.221 26.202 -13.558 1.00 0.00 C ATOM 993 CD ARG A 78 3.408 27.136 -13.833 1.00 0.00 C ATOM 994 NE ARG A 78 3.640 27.212 -15.283 1.00 0.00 N ATOM 995 CZ ARG A 78 4.618 27.959 -15.796 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.379 28.654 -14.995 1.00 0.00 N ATOM 997 NH2 ARG A 78 4.807 28.003 -17.084 1.00 0.00 N ATOM 0 H ARG A 78 -1.654 25.097 -15.320 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.044 24.851 -13.790 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.112 26.715 -15.354 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.799 27.783 -14.000 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.041 26.133 -12.485 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.449 25.195 -13.908 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.204 28.129 -13.433 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.301 26.766 -13.329 1.00 0.00 H new ATOM 0 HE ARG A 78 3.038 26.680 -15.912 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.222 28.622 -13.988 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.130 29.229 -15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.205 27.464 -17.706 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.557 28.576 -17.470 1.00 0.00 H new ATOM 1011 N VAL A 79 -2.159 26.108 -12.342 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.836 26.520 -11.098 1.00 0.00 C ATOM 1013 C VAL A 79 -3.882 25.467 -10.728 1.00 0.00 C ATOM 1014 O VAL A 79 -4.741 25.110 -11.535 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.516 27.923 -11.290 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -2.476 29.079 -11.156 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -4.198 27.997 -12.696 1.00 0.00 C ATOM 0 H VAL A 79 -2.759 25.607 -12.998 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.105 26.603 -10.294 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.267 28.042 -10.509 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.977 30.037 -11.294 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.021 29.046 -10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.702 28.962 -11.915 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.667 28.973 -12.822 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.447 27.853 -13.473 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.956 27.217 -12.774 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.760 24.945 -9.505 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.650 23.911 -8.982 1.00 0.00 C ATOM 1029 C LEU A 80 -4.944 24.187 -7.512 1.00 0.00 C ATOM 1030 O LEU A 80 -4.071 24.005 -6.655 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.977 22.499 -9.104 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.396 22.606 -8.938 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.811 21.242 -8.483 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -1.674 23.142 -10.258 1.00 0.00 C ATOM 0 H LEU A 80 -3.035 25.231 -8.847 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.574 23.923 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.382 21.832 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.216 22.060 -10.073 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.198 23.347 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.730 21.328 -8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.251 20.958 -7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.040 20.481 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.599 23.195 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.878 22.463 -11.086 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.052 24.135 -10.502 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.177 24.585 -7.235 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.653 24.845 -5.889 1.00 0.00 C ATOM 1048 C ASP A 81 -7.428 23.625 -5.434 1.00 0.00 C ATOM 1049 O ASP A 81 -7.399 22.587 -6.097 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.564 26.086 -5.902 1.00 0.00 C ATOM 1051 CG ASP A 81 -8.788 25.875 -6.812 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -8.595 25.432 -7.931 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -9.894 26.157 -6.372 1.00 0.00 O ATOM 0 H ASP A 81 -6.885 24.738 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.823 25.036 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.897 26.306 -4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.998 26.951 -6.246 1.00 0.00 H new ATOM 1058 N ALA A 82 -8.151 23.770 -4.317 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.985 22.695 -3.751 1.00 0.00 C ATOM 1060 C ALA A 82 -9.832 21.997 -4.824 1.00 0.00 C ATOM 1061 O ALA A 82 -10.337 20.897 -4.609 1.00 0.00 O ATOM 1062 CB ALA A 82 -9.920 23.290 -2.667 1.00 0.00 C ATOM 0 H ALA A 82 -8.176 24.635 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.319 21.950 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.539 22.498 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.320 23.741 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.560 24.050 -3.116 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.967 22.669 -5.979 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.763 22.138 -7.082 1.00 0.00 C ATOM 1070 C GLU A 83 -10.120 20.867 -7.654 1.00 0.00 C ATOM 1071 O GLU A 83 -10.715 19.807 -7.621 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.872 23.212 -8.196 1.00 0.00 C ATOM 1073 CG GLU A 83 -11.882 22.776 -9.297 1.00 0.00 C ATOM 1074 CD GLU A 83 -12.065 23.854 -10.367 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.220 24.729 -10.470 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -13.051 23.773 -11.083 1.00 0.00 O ATOM 0 H GLU A 83 -9.536 23.574 -6.166 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.756 21.885 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.189 24.160 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.892 23.378 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.533 21.856 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.845 22.554 -8.838 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.898 20.997 -8.173 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.143 19.862 -8.733 1.00 0.00 C ATOM 1085 C GLU A 84 -7.369 19.135 -7.654 1.00 0.00 C ATOM 1086 O GLU A 84 -6.957 17.982 -7.827 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.165 20.362 -9.825 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.938 21.052 -10.973 1.00 0.00 C ATOM 1089 CD GLU A 84 -6.979 21.549 -12.070 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -5.796 21.244 -11.999 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -7.448 22.232 -12.964 1.00 0.00 O ATOM 0 H GLU A 84 -8.401 21.886 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.858 19.167 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.451 21.060 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.591 19.523 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.656 20.353 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.509 21.892 -10.577 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.118 19.846 -6.550 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.314 19.288 -5.457 1.00 0.00 C ATOM 1100 C GLN A 85 -6.949 18.045 -4.868 1.00 0.00 C ATOM 1101 O GLN A 85 -6.271 17.053 -4.629 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.116 20.327 -4.326 1.00 0.00 C ATOM 1103 CG GLN A 85 -5.012 19.893 -3.323 1.00 0.00 C ATOM 1104 CD GLN A 85 -3.670 19.756 -4.040 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -2.858 18.909 -3.681 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -3.418 20.544 -5.058 1.00 0.00 N ATOM 0 H GLN A 85 -7.454 20.796 -6.390 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.348 19.022 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.852 21.291 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.056 20.466 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.931 20.627 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.284 18.944 -2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.104 21.243 -5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.536 20.458 -5.564 1.00 0.00 H new ATOM 1115 N MET A 86 -8.260 18.115 -4.622 1.00 0.00 N ATOM 1116 CA MET A 86 -8.986 16.985 -4.036 1.00 0.00 C ATOM 1117 C MET A 86 -8.698 15.709 -4.825 1.00 0.00 C ATOM 1118 O MET A 86 -8.413 14.665 -4.253 1.00 0.00 O ATOM 1119 CB MET A 86 -10.504 17.300 -4.043 1.00 0.00 C ATOM 1120 CG MET A 86 -11.042 17.448 -5.503 1.00 0.00 C ATOM 1121 SD MET A 86 -12.652 18.288 -5.525 1.00 0.00 S ATOM 1122 CE MET A 86 -13.166 17.754 -7.184 1.00 0.00 C ATOM 0 H MET A 86 -8.836 18.934 -4.817 1.00 0.00 H new ATOM 0 HA MET A 86 -8.657 16.830 -3.009 1.00 0.00 H new ATOM 0 HB2 MET A 86 -11.046 16.504 -3.532 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.690 18.220 -3.489 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.326 18.011 -6.102 1.00 0.00 H new ATOM 0 HG3 MET A 86 -11.136 16.463 -5.961 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.959 18.408 -7.547 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.314 17.804 -7.862 1.00 0.00 H new ATOM 0 HE3 MET A 86 -13.534 16.729 -7.139 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.778 15.823 -6.156 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.548 14.695 -7.040 1.00 0.00 C ATOM 1134 C LYS A 87 -7.153 14.138 -6.826 1.00 0.00 C ATOM 1135 O LYS A 87 -6.959 12.920 -6.817 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.713 15.133 -8.521 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.612 13.902 -9.469 1.00 0.00 C ATOM 1138 CD LYS A 87 -8.821 14.312 -10.947 1.00 0.00 C ATOM 1139 CE LYS A 87 -8.705 13.065 -11.859 1.00 0.00 C ATOM 1140 NZ LYS A 87 -9.750 12.081 -11.454 1.00 0.00 N ATOM 0 H LYS A 87 -9.002 16.694 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.281 13.921 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.676 15.625 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.944 15.862 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.636 13.431 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.359 13.160 -9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.800 14.774 -11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.078 15.056 -11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.835 13.347 -12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.713 12.622 -11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.930 11.423 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.421 11.548 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.628 12.585 -11.216 1.00 0.00 H new ATOM 1154 N MET A 88 -6.187 15.046 -6.667 1.00 0.00 N ATOM 1155 CA MET A 88 -4.799 14.647 -6.461 1.00 0.00 C ATOM 1156 C MET A 88 -4.647 13.912 -5.131 1.00 0.00 C ATOM 1157 O MET A 88 -4.241 12.753 -5.105 1.00 0.00 O ATOM 1158 CB MET A 88 -3.867 15.885 -6.494 1.00 0.00 C ATOM 1159 CG MET A 88 -2.383 15.455 -6.400 1.00 0.00 C ATOM 1160 SD MET A 88 -1.305 16.899 -6.555 1.00 0.00 S ATOM 1161 CE MET A 88 0.212 16.100 -5.968 1.00 0.00 C ATOM 0 H MET A 88 -6.342 16.054 -6.677 1.00 0.00 H new ATOM 0 HA MET A 88 -4.513 13.973 -7.269 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.031 16.445 -7.414 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.111 16.552 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.201 14.956 -5.448 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.155 14.735 -7.186 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.077 16.588 -6.416 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.270 16.183 -4.883 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.202 15.048 -6.252 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.986 14.599 -4.021 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.881 14.008 -2.686 1.00 0.00 C ATOM 1173 C ALA A 89 -5.691 12.718 -2.587 1.00 0.00 C ATOM 1174 O ALA A 89 -5.251 11.751 -1.967 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.388 15.024 -1.639 1.00 0.00 C ATOM 0 H ALA A 89 -5.332 15.558 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.836 13.765 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.312 14.588 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.782 15.929 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.429 15.273 -1.848 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.880 12.719 -3.204 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.755 11.545 -3.178 1.00 0.00 C ATOM 1183 C HIS A 90 -7.071 10.327 -3.822 1.00 0.00 C ATOM 1184 O HIS A 90 -7.050 9.237 -3.242 1.00 0.00 O ATOM 1185 CB HIS A 90 -9.085 11.861 -3.926 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.998 10.660 -3.912 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -10.057 9.771 -4.971 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.846 10.170 -2.956 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.917 8.795 -4.629 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.428 8.992 -3.409 1.00 0.00 N ATOM 0 H HIS A 90 -7.254 13.514 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.969 11.303 -2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.582 12.708 -3.454 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.871 12.150 -4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.034 10.629 -1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.164 7.956 -5.262 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.100 8.404 -2.917 1.00 0.00 H new ATOM 1198 N ASP A 91 -6.549 10.514 -5.036 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.920 9.432 -5.781 1.00 0.00 C ATOM 1200 C ASP A 91 -4.624 9.065 -5.131 1.00 0.00 C ATOM 1201 O ASP A 91 -4.250 7.895 -5.088 1.00 0.00 O ATOM 1202 CB ASP A 91 -5.686 9.875 -7.250 1.00 0.00 C ATOM 1203 CG ASP A 91 -7.026 10.167 -7.938 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -7.983 9.464 -7.652 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -7.077 11.089 -8.733 1.00 0.00 O ATOM 0 H ASP A 91 -6.552 11.411 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.573 8.559 -5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.056 10.764 -7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.154 9.094 -7.792 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.928 10.081 -4.628 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.639 9.861 -3.998 1.00 0.00 C ATOM 1212 C LEU A 92 -2.801 8.976 -2.763 1.00 0.00 C ATOM 1213 O LEU A 92 -2.014 8.049 -2.542 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.996 11.216 -3.598 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.524 11.025 -3.082 1.00 0.00 C ATOM 1216 CD1 LEU A 92 0.453 10.639 -4.244 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.018 12.310 -2.364 1.00 0.00 C ATOM 0 H LEU A 92 -4.235 11.054 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.985 9.359 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.997 11.888 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.596 11.690 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.538 10.202 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.460 10.516 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.126 9.704 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.454 11.428 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.003 12.154 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.040 13.148 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.663 12.529 -1.513 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.822 9.288 -1.962 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.081 8.543 -0.734 1.00 0.00 C ATOM 1231 C GLU A 93 -4.419 7.094 -1.068 1.00 0.00 C ATOM 1232 O GLU A 93 -4.022 6.179 -0.350 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.246 9.197 0.048 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.432 8.522 1.440 1.00 0.00 C ATOM 1235 CD GLU A 93 -6.577 9.176 2.214 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.630 9.342 1.626 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -6.389 9.487 3.381 1.00 0.00 O ATOM 0 H GLU A 93 -4.478 10.048 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.187 8.562 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.049 10.261 0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.168 9.112 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.636 7.459 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.508 8.601 2.013 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.158 6.905 -2.168 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.562 5.568 -2.606 1.00 0.00 C ATOM 1246 C GLY A 94 -4.413 4.857 -3.277 1.00 0.00 C ATOM 1247 O GLY A 94 -4.349 3.626 -3.281 1.00 0.00 O ATOM 0 H GLY A 94 -5.487 7.661 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.905 4.988 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.402 5.644 -3.296 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.497 5.641 -3.868 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.340 5.073 -4.575 1.00 0.00 C ATOM 1253 C GLN A 95 -1.466 4.296 -3.609 1.00 0.00 C ATOM 1254 O GLN A 95 -0.982 3.211 -3.931 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.506 6.192 -5.254 1.00 0.00 C ATOM 1256 CG GLN A 95 -0.420 5.588 -6.188 1.00 0.00 C ATOM 1257 CD GLN A 95 0.376 6.693 -6.870 1.00 0.00 C ATOM 1258 OE1 GLN A 95 1.307 7.245 -6.282 1.00 0.00 O ATOM 1259 NE2 GLN A 95 0.042 7.060 -8.071 1.00 0.00 N ATOM 0 H GLN A 95 -3.535 6.660 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.710 4.398 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.164 6.843 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.032 6.811 -4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.251 4.952 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.891 4.955 -6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.730 6.597 -8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.552 7.811 -8.535 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.256 4.866 -2.423 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.420 4.224 -1.412 1.00 0.00 C ATOM 1270 C LYS A 96 -1.004 2.871 -1.009 1.00 0.00 C ATOM 1271 O LYS A 96 -0.278 1.889 -0.859 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.313 5.139 -0.180 1.00 0.00 C ATOM 1273 CG LYS A 96 0.694 4.555 0.869 1.00 0.00 C ATOM 1274 CD LYS A 96 0.929 5.541 2.040 1.00 0.00 C ATOM 1275 CE LYS A 96 -0.364 5.770 2.867 1.00 0.00 C ATOM 1276 NZ LYS A 96 -0.007 6.491 4.102 1.00 0.00 N ATOM 0 H LYS A 96 -1.650 5.764 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 96 0.573 4.057 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.013 6.133 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.295 5.254 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.310 3.612 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.643 4.336 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.713 5.153 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.283 6.494 1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.087 6.345 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.834 4.816 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.807 6.461 4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.822 6.041 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.216 7.481 3.874 1.00 0.00 H new ATOM 1290 N SER A 97 -2.332 2.842 -0.835 1.00 0.00 N ATOM 1291 CA SER A 97 -3.034 1.617 -0.441 1.00 0.00 C ATOM 1292 C SER A 97 -2.855 0.537 -1.509 1.00 0.00 C ATOM 1293 O SER A 97 -2.629 -0.630 -1.193 1.00 0.00 O ATOM 1294 CB SER A 97 -4.533 1.914 -0.238 1.00 0.00 C ATOM 1295 OG SER A 97 -4.674 2.865 0.805 1.00 0.00 O ATOM 0 H SER A 97 -2.939 3.652 -0.961 1.00 0.00 H new ATOM 0 HA SER A 97 -2.612 1.255 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.970 2.298 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.069 0.998 0.012 1.00 0.00 H new ATOM 0 HG SER A 97 -5.624 3.063 0.941 1.00 0.00 H new ATOM 1301 N ASP A 98 -2.957 0.952 -2.780 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.811 0.030 -3.912 1.00 0.00 C ATOM 1303 C ASP A 98 -1.407 -0.578 -3.941 1.00 0.00 C ATOM 1304 O ASP A 98 -1.240 -1.756 -4.235 1.00 0.00 O ATOM 1305 CB ASP A 98 -3.098 0.781 -5.243 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.499 1.400 -5.204 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -5.401 0.743 -4.710 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.650 2.520 -5.668 1.00 0.00 O ATOM 0 H ASP A 98 -3.140 1.919 -3.048 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.530 -0.781 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.352 1.560 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.019 0.091 -6.083 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.407 0.243 -3.632 1.00 0.00 N ATOM 1314 CA LEU A 99 0.996 -0.205 -3.625 1.00 0.00 C ATOM 1315 C LEU A 99 1.266 -1.129 -2.459 1.00 0.00 C ATOM 1316 O LEU A 99 1.964 -2.139 -2.598 1.00 0.00 O ATOM 1317 CB LEU A 99 1.917 1.031 -3.556 1.00 0.00 C ATOM 1318 CG LEU A 99 1.843 1.860 -4.897 1.00 0.00 C ATOM 1319 CD1 LEU A 99 2.396 3.280 -4.674 1.00 0.00 C ATOM 1320 CD2 LEU A 99 2.648 1.159 -6.043 1.00 0.00 C ATOM 0 H LEU A 99 -0.535 1.224 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 99 1.196 -0.762 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.625 1.662 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.944 0.715 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 99 0.796 1.918 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.340 3.843 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.805 3.785 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.435 3.219 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.578 1.754 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.694 1.067 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.234 0.167 -6.225 1.00 0.00 H new ATOM 1332 N ASN A 100 0.725 -0.775 -1.301 1.00 0.00 N ATOM 1333 CA ASN A 100 0.928 -1.570 -0.088 1.00 0.00 C ATOM 1334 C ASN A 100 0.468 -3.013 -0.341 1.00 0.00 C ATOM 1335 O ASN A 100 1.136 -3.971 0.043 1.00 0.00 O ATOM 1336 CB ASN A 100 0.129 -0.934 1.119 1.00 0.00 C ATOM 1337 CG ASN A 100 -0.882 -1.942 1.702 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.493 -2.853 2.431 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -2.140 -1.858 1.367 1.00 0.00 N ATOM 0 H ASN A 100 0.144 0.053 -1.172 1.00 0.00 H new ATOM 0 HA ASN A 100 1.987 -1.576 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.826 -0.621 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.396 -0.040 0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.806 -2.550 1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.457 -1.100 0.762 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.707 -3.137 -0.973 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.289 -4.448 -1.255 1.00 0.00 C ATOM 1348 C ASN A 101 -0.394 -5.227 -2.214 1.00 0.00 C ATOM 1349 O ASN A 101 0.063 -6.307 -1.890 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.705 -4.299 -1.858 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.341 -5.685 -2.059 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -3.147 -6.315 -3.096 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.059 -6.199 -1.103 1.00 0.00 N ATOM 0 H ASN A 101 -1.267 -2.348 -1.295 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.367 -4.997 -0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.329 -3.696 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.650 -3.774 -2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.464 -7.129 -1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.217 -5.672 -0.244 1.00 0.00 H new ATOM 1360 N GLN A 102 -0.170 -4.659 -3.410 1.00 0.00 N ATOM 1361 CA GLN A 102 0.667 -5.300 -4.447 1.00 0.00 C ATOM 1362 C GLN A 102 1.928 -5.862 -3.838 1.00 0.00 C ATOM 1363 O GLN A 102 2.436 -6.902 -4.261 1.00 0.00 O ATOM 1364 CB GLN A 102 1.015 -4.256 -5.545 1.00 0.00 C ATOM 1365 CG GLN A 102 -0.244 -3.913 -6.394 1.00 0.00 C ATOM 1366 CD GLN A 102 -0.624 -5.113 -7.272 1.00 0.00 C ATOM 1367 OE1 GLN A 102 0.226 -5.638 -7.989 1.00 0.00 O ATOM 1368 NE2 GLN A 102 -1.834 -5.592 -7.237 1.00 0.00 N ATOM 0 H GLN A 102 -0.556 -3.756 -3.687 1.00 0.00 H new ATOM 0 HA GLN A 102 0.112 -6.124 -4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.406 -3.350 -5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.800 -4.648 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -1.075 -3.653 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -0.046 -3.042 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.538 -5.156 -6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.078 -6.404 -7.805 1.00 0.00 H new ATOM 1377 N LEU A 103 2.426 -5.169 -2.822 1.00 0.00 N ATOM 1378 CA LEU A 103 3.640 -5.590 -2.124 1.00 0.00 C ATOM 1379 C LEU A 103 3.409 -6.915 -1.383 1.00 0.00 C ATOM 1380 O LEU A 103 4.271 -7.366 -0.632 1.00 0.00 O ATOM 1381 CB LEU A 103 4.084 -4.490 -1.108 1.00 0.00 C ATOM 1382 CG LEU A 103 5.648 -4.552 -0.860 1.00 0.00 C ATOM 1383 CD1 LEU A 103 6.411 -3.760 -1.963 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.003 -4.004 0.550 1.00 0.00 C ATOM 0 H LEU A 103 2.009 -4.311 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 103 4.426 -5.736 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.810 -3.506 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.556 -4.626 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 103 5.959 -5.595 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.483 -3.815 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.192 -4.193 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.093 -2.718 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.081 -4.056 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.675 -2.968 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.502 -4.604 1.310 1.00 0.00 H new ATOM 1396 N ALA A 104 2.239 -7.523 -1.594 1.00 0.00 N ATOM 1397 CA ALA A 104 1.887 -8.783 -0.959 1.00 0.00 C ATOM 1398 C ALA A 104 2.897 -9.843 -1.359 1.00 0.00 C ATOM 1399 O ALA A 104 3.444 -10.546 -0.508 1.00 0.00 O ATOM 1400 CB ALA A 104 0.470 -9.209 -1.402 1.00 0.00 C ATOM 0 H ALA A 104 1.515 -7.152 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 104 1.898 -8.665 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.208 -10.153 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.248 -8.443 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.449 -9.331 -2.485 1.00 0.00 H new ATOM 1406 N GLU A 105 3.132 -9.951 -2.680 1.00 0.00 N ATOM 1407 CA GLU A 105 4.069 -10.944 -3.209 1.00 0.00 C ATOM 1408 C GLU A 105 5.447 -10.737 -2.605 1.00 0.00 C ATOM 1409 O GLU A 105 6.268 -9.992 -3.149 1.00 0.00 O ATOM 1410 CB GLU A 105 4.159 -10.872 -4.756 1.00 0.00 C ATOM 1411 CG GLU A 105 5.006 -12.061 -5.331 1.00 0.00 C ATOM 1412 CD GLU A 105 4.320 -13.411 -5.054 1.00 0.00 C ATOM 1413 OE1 GLU A 105 3.100 -13.430 -4.996 1.00 0.00 O ATOM 1414 OE2 GLU A 105 5.024 -14.396 -4.878 1.00 0.00 O ATOM 0 H GLU A 105 2.689 -9.367 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 105 3.696 -11.931 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.156 -10.897 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.609 -9.925 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.140 -11.931 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.999 -12.055 -4.882 1.00 0.00 H new ATOM 1421 N LEU A 106 5.696 -11.385 -1.473 1.00 0.00 N ATOM 1422 CA LEU A 106 6.985 -11.249 -0.810 1.00 0.00 C ATOM 1423 C LEU A 106 7.192 -12.414 0.135 1.00 0.00 C ATOM 1424 O LEU A 106 6.665 -12.408 1.245 1.00 0.00 O ATOM 1425 CB LEU A 106 7.059 -9.879 -0.043 1.00 0.00 C ATOM 1426 CG LEU A 106 8.524 -9.337 0.030 1.00 0.00 C ATOM 1427 CD1 LEU A 106 8.550 -7.967 0.748 1.00 0.00 C ATOM 1428 CD2 LEU A 106 9.475 -10.370 0.734 1.00 0.00 C ATOM 0 H LEU A 106 5.033 -12.000 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 106 7.781 -11.259 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.424 -9.147 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.667 -10.005 0.966 1.00 0.00 H new ATOM 0 HG LEU A 106 8.893 -9.198 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.575 -7.599 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.933 -7.256 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.160 -8.079 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.487 -9.967 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.122 -10.557 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.477 -11.304 0.172 1.00 0.00 H new ATOM 1440 N GLU A 107 7.961 -13.407 -0.314 1.00 0.00 N ATOM 1441 CA GLU A 107 8.272 -14.587 0.493 1.00 0.00 C ATOM 1442 C GLU A 107 6.998 -15.392 0.803 1.00 0.00 C ATOM 1443 O GLU A 107 5.949 -14.780 0.958 1.00 0.00 O ATOM 1444 CB GLU A 107 8.998 -14.158 1.806 1.00 0.00 C ATOM 1445 CG GLU A 107 9.575 -15.381 2.560 1.00 0.00 C ATOM 1446 CD GLU A 107 10.257 -14.959 3.874 1.00 0.00 C ATOM 1447 OE1 GLU A 107 10.611 -13.793 4.002 1.00 0.00 O ATOM 1448 OE2 GLU A 107 10.397 -15.806 4.741 1.00 0.00 O ATOM 1449 OXT GLU A 107 7.092 -16.605 0.873 1.00 0.00 O ATOM 0 H GLU A 107 8.384 -13.416 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 107 8.939 -15.234 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.803 -13.463 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.299 -13.627 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.775 -16.089 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.295 -15.896 1.924 1.00 0.00 H new TER 1456 GLU A 107