USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 70:sc= -0.613! USER MOD Set 1.2: A 97 THR OG1 : rot -85:sc= 0.913 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 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 28 LYS NZ :NH3+ -151:sc= -0.0649 (180deg=-0.57) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.129 K(o=0.13,f=-6.1!) USER MOD Single : A 39 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0877 USER MOD Single : A 53 SER OG : rot 126:sc= 0.787 USER MOD Single : A 54 LYS NZ :NH3+ 158:sc=-0.00167 (180deg=-0.193) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.617 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 62:sc= 0.774 USER MOD Single : A 72 SER OG : rot 180:sc= -0.116 USER MOD Single : A 74 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.2) USER MOD Single : A 81 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 83 CYS SG : rot -64:sc= 1.16 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.125 USER MOD Single : A 89 HIS : no HD1:sc= 0.927 K(o=0.93,f=-3!) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc=-0.00259 (180deg=-0.146) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.44) USER MOD Single : A 107 HIS : no HD1:sc= -0.914 K(o=-0.91,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 5.079 7.993 -3.413 1.00 64.22 N ATOM 103 CA ARG A 9 6.119 8.673 -4.176 1.00 2.42 C ATOM 104 C ARG A 9 6.675 7.765 -5.269 1.00 15.14 C ATOM 105 O ARG A 9 6.249 6.620 -5.415 1.00 35.03 O ATOM 106 CB ARG A 9 7.249 9.123 -3.248 1.00 44.04 C ATOM 107 CG ARG A 9 7.464 10.628 -3.234 1.00 62.32 C ATOM 108 CD ARG A 9 8.199 11.073 -1.980 1.00 54.32 C ATOM 109 NE ARG A 9 7.369 11.926 -1.132 1.00 71.34 N ATOM 110 CZ ARG A 9 7.799 12.485 -0.007 1.00 74.30 C ATOM 111 NH1 ARG A 9 9.043 12.283 0.405 1.00 32.41 N ATOM 112 NH2 ARG A 9 6.984 13.247 0.709 1.00 15.45 N ATOM 0 HA ARG A 9 5.674 9.549 -4.648 1.00 2.42 H new ATOM 0 HB2 ARG A 9 7.031 8.786 -2.234 1.00 44.04 H new ATOM 0 HB3 ARG A 9 8.175 8.635 -3.554 1.00 44.04 H new ATOM 0 HG2 ARG A 9 8.033 10.924 -4.115 1.00 62.32 H new ATOM 0 HG3 ARG A 9 6.501 11.135 -3.292 1.00 62.32 H new ATOM 0 HD2 ARG A 9 8.514 10.196 -1.414 1.00 54.32 H new ATOM 0 HD3 ARG A 9 9.103 11.612 -2.262 1.00 54.32 H new ATOM 0 HE ARG A 9 6.406 12.102 -1.420 1.00 71.34 H new ATOM 0 HH11 ARG A 9 9.673 11.697 -0.143 1.00 32.41 H new ATOM 0 HH12 ARG A 9 9.370 12.714 1.270 1.00 32.41 H new ATOM 0 HH21 ARG A 9 6.026 13.404 0.396 1.00 15.45 H new ATOM 0 HH22 ARG A 9 7.315 13.676 1.573 1.00 15.45 H new ATOM 126 N GLY A 10 7.628 8.285 -6.036 1.00 13.52 N ATOM 127 CA GLY A 10 8.225 7.508 -7.106 1.00 2.40 C ATOM 128 C GLY A 10 9.111 6.392 -6.588 1.00 13.32 C ATOM 129 O GLY A 10 8.898 5.222 -6.908 1.00 31.12 O ATOM 0 H GLY A 10 7.997 9.230 -5.935 1.00 13.52 H new ATOM 0 HA2 GLY A 10 7.436 7.083 -7.726 1.00 2.40 H new ATOM 0 HA3 GLY A 10 8.812 8.167 -7.745 1.00 2.40 H new ATOM 133 N LYS A 11 10.107 6.753 -5.787 1.00 61.45 N ATOM 134 CA LYS A 11 11.029 5.774 -5.224 1.00 32.14 C ATOM 135 C LYS A 11 10.303 4.825 -4.275 1.00 52.40 C ATOM 136 O LYS A 11 10.508 3.612 -4.316 1.00 71.12 O ATOM 137 CB LYS A 11 12.166 6.481 -4.483 1.00 4.41 C ATOM 138 CG LYS A 11 12.982 7.410 -5.364 1.00 61.13 C ATOM 139 CD LYS A 11 12.951 8.839 -4.849 1.00 11.01 C ATOM 140 CE LYS A 11 14.096 9.662 -5.418 1.00 21.23 C ATOM 141 NZ LYS A 11 13.640 10.572 -6.505 1.00 75.30 N ATOM 0 H LYS A 11 10.297 7.717 -5.513 1.00 61.45 H new ATOM 0 HA LYS A 11 11.445 5.191 -6.045 1.00 32.14 H new ATOM 0 HB2 LYS A 11 11.748 7.054 -3.655 1.00 4.41 H new ATOM 0 HB3 LYS A 11 12.828 5.731 -4.050 1.00 4.41 H new ATOM 0 HG2 LYS A 11 14.013 7.060 -5.406 1.00 61.13 H new ATOM 0 HG3 LYS A 11 12.594 7.381 -6.382 1.00 61.13 H new ATOM 0 HD2 LYS A 11 12.001 9.302 -5.116 1.00 11.01 H new ATOM 0 HD3 LYS A 11 13.010 8.836 -3.761 1.00 11.01 H new ATOM 0 HE2 LYS A 11 14.552 10.249 -4.621 1.00 21.23 H new ATOM 0 HE3 LYS A 11 14.867 8.994 -5.803 1.00 21.23 H new ATOM 0 HZ1 LYS A 11 14.450 11.115 -6.866 1.00 75.30 H new ATOM 0 HZ2 LYS A 11 13.228 10.011 -7.277 1.00 75.30 H new ATOM 0 HZ3 LYS A 11 12.923 11.227 -6.132 1.00 75.30 H new ATOM 155 N LYS A 12 9.451 5.386 -3.423 1.00 13.23 N ATOM 156 CA LYS A 12 8.690 4.590 -2.466 1.00 45.31 C ATOM 157 C LYS A 12 7.831 3.554 -3.182 1.00 63.50 C ATOM 158 O LYS A 12 7.789 2.388 -2.788 1.00 4.34 O ATOM 159 CB LYS A 12 7.806 5.497 -1.607 1.00 23.41 C ATOM 160 CG LYS A 12 8.583 6.550 -0.837 1.00 2.54 C ATOM 161 CD LYS A 12 8.807 6.134 0.607 1.00 15.22 C ATOM 162 CE LYS A 12 10.073 6.755 1.177 1.00 21.02 C ATOM 163 NZ LYS A 12 9.872 7.250 2.566 1.00 22.15 N ATOM 0 H LYS A 12 9.270 6.389 -3.376 1.00 13.23 H new ATOM 0 HA LYS A 12 9.397 4.067 -1.822 1.00 45.31 H new ATOM 0 HB2 LYS A 12 7.076 5.992 -2.248 1.00 23.41 H new ATOM 0 HB3 LYS A 12 7.246 4.883 -0.902 1.00 23.41 H new ATOM 0 HG2 LYS A 12 9.545 6.720 -1.321 1.00 2.54 H new ATOM 0 HG3 LYS A 12 8.041 7.495 -0.864 1.00 2.54 H new ATOM 0 HD2 LYS A 12 7.950 6.434 1.210 1.00 15.22 H new ATOM 0 HD3 LYS A 12 8.874 5.048 0.667 1.00 15.22 H new ATOM 0 HE2 LYS A 12 10.875 6.017 1.167 1.00 21.02 H new ATOM 0 HE3 LYS A 12 10.391 7.580 0.540 1.00 21.02 H new ATOM 0 HZ1 LYS A 12 10.758 7.666 2.918 1.00 22.15 H new ATOM 0 HZ2 LYS A 12 9.124 7.973 2.572 1.00 22.15 H new ATOM 0 HZ3 LYS A 12 9.593 6.458 3.180 1.00 22.15 H new ATOM 177 N ALA A 13 7.147 3.985 -4.236 1.00 71.12 N ATOM 178 CA ALA A 13 6.291 3.093 -5.009 1.00 23.12 C ATOM 179 C ALA A 13 7.049 1.843 -5.440 1.00 60.22 C ATOM 180 O ALA A 13 6.515 0.734 -5.394 1.00 14.41 O ATOM 181 CB ALA A 13 5.731 3.819 -6.223 1.00 40.30 C ATOM 0 H ALA A 13 7.169 4.947 -4.575 1.00 71.12 H new ATOM 0 HA ALA A 13 5.463 2.782 -4.372 1.00 23.12 H new ATOM 0 HB1 ALA A 13 5.094 3.141 -6.791 1.00 40.30 H new ATOM 0 HB2 ALA A 13 5.145 4.678 -5.895 1.00 40.30 H new ATOM 0 HB3 ALA A 13 6.552 4.159 -6.854 1.00 40.30 H new ATOM 187 N ASP A 14 8.296 2.027 -5.860 1.00 12.30 N ATOM 188 CA ASP A 14 9.127 0.913 -6.301 1.00 0.32 C ATOM 189 C ASP A 14 9.212 -0.161 -5.221 1.00 4.44 C ATOM 190 O ASP A 14 8.906 -1.326 -5.467 1.00 33.13 O ATOM 191 CB ASP A 14 10.530 1.407 -6.658 1.00 73.34 C ATOM 192 CG ASP A 14 11.104 0.693 -7.867 1.00 2.12 C ATOM 193 OD1 ASP A 14 10.524 0.824 -8.965 1.00 13.31 O ATOM 194 OD2 ASP A 14 12.134 0.005 -7.714 1.00 33.21 O ATOM 0 H ASP A 14 8.754 2.938 -5.904 1.00 12.30 H new ATOM 0 HA ASP A 14 8.667 0.476 -7.187 1.00 0.32 H new ATOM 0 HB2 ASP A 14 10.496 2.479 -6.855 1.00 73.34 H new ATOM 0 HB3 ASP A 14 11.192 1.260 -5.805 1.00 73.34 H new ATOM 199 N GLU A 15 9.633 0.241 -4.025 1.00 3.43 N ATOM 200 CA GLU A 15 9.760 -0.688 -2.909 1.00 64.22 C ATOM 201 C GLU A 15 8.478 -1.494 -2.723 1.00 32.43 C ATOM 202 O GLU A 15 8.519 -2.685 -2.411 1.00 64.34 O ATOM 203 CB GLU A 15 10.091 0.069 -1.621 1.00 41.44 C ATOM 204 CG GLU A 15 11.505 -0.173 -1.118 1.00 15.22 C ATOM 205 CD GLU A 15 12.478 0.896 -1.578 1.00 73.43 C ATOM 206 OE1 GLU A 15 12.458 2.003 -1.003 1.00 2.33 O ATOM 207 OE2 GLU A 15 13.259 0.623 -2.513 1.00 75.34 O ATOM 0 H GLU A 15 9.891 1.203 -3.805 1.00 3.43 H new ATOM 0 HA GLU A 15 10.573 -1.378 -3.135 1.00 64.22 H new ATOM 0 HB2 GLU A 15 9.953 1.137 -1.792 1.00 41.44 H new ATOM 0 HB3 GLU A 15 9.383 -0.224 -0.845 1.00 41.44 H new ATOM 0 HG2 GLU A 15 11.498 -0.209 -0.029 1.00 15.22 H new ATOM 0 HG3 GLU A 15 11.849 -1.147 -1.467 1.00 15.22 H new ATOM 214 N LEU A 16 7.340 -0.836 -2.915 1.00 33.24 N ATOM 215 CA LEU A 16 6.044 -1.491 -2.769 1.00 23.22 C ATOM 216 C LEU A 16 5.839 -2.541 -3.855 1.00 21.50 C ATOM 217 O LEU A 16 5.516 -3.693 -3.564 1.00 63.51 O ATOM 218 CB LEU A 16 4.919 -0.456 -2.825 1.00 23.12 C ATOM 219 CG LEU A 16 3.532 -0.949 -2.409 1.00 24.41 C ATOM 220 CD1 LEU A 16 2.917 -1.800 -3.509 1.00 14.21 C ATOM 221 CD2 LEU A 16 3.613 -1.733 -1.107 1.00 22.23 C ATOM 0 H LEU A 16 7.288 0.150 -3.172 1.00 33.24 H new ATOM 0 HA LEU A 16 6.023 -1.989 -1.800 1.00 23.22 H new ATOM 0 HB2 LEU A 16 5.192 0.383 -2.184 1.00 23.12 H new ATOM 0 HB3 LEU A 16 4.856 -0.072 -3.843 1.00 23.12 H new ATOM 0 HG LEU A 16 2.892 -0.082 -2.248 1.00 24.41 H new ATOM 0 HD11 LEU A 16 1.931 -2.142 -3.196 1.00 14.21 H new ATOM 0 HD12 LEU A 16 2.823 -1.207 -4.419 1.00 14.21 H new ATOM 0 HD13 LEU A 16 3.556 -2.662 -3.702 1.00 14.21 H new ATOM 0 HD21 LEU A 16 2.617 -2.076 -0.826 1.00 22.23 H new ATOM 0 HD22 LEU A 16 4.269 -2.593 -1.241 1.00 22.23 H new ATOM 0 HD23 LEU A 16 4.011 -1.092 -0.320 1.00 22.23 H new ATOM 233 N GLU A 17 6.029 -2.137 -5.107 1.00 22.14 N ATOM 234 CA GLU A 17 5.867 -3.045 -6.236 1.00 14.51 C ATOM 235 C GLU A 17 6.945 -4.125 -6.226 1.00 52.30 C ATOM 236 O GLU A 17 6.844 -5.123 -6.939 1.00 31.04 O ATOM 237 CB GLU A 17 5.916 -2.270 -7.553 1.00 42.24 C ATOM 238 CG GLU A 17 4.683 -1.420 -7.808 1.00 33.43 C ATOM 239 CD GLU A 17 4.211 -1.493 -9.247 1.00 12.14 C ATOM 240 OE1 GLU A 17 4.277 -2.591 -9.838 1.00 32.44 O ATOM 241 OE2 GLU A 17 3.775 -0.452 -9.782 1.00 74.35 O ATOM 0 H GLU A 17 6.295 -1.187 -5.365 1.00 22.14 H new ATOM 0 HA GLU A 17 4.894 -3.528 -6.144 1.00 14.51 H new ATOM 0 HB2 GLU A 17 6.796 -1.627 -7.553 1.00 42.24 H new ATOM 0 HB3 GLU A 17 6.036 -2.975 -8.375 1.00 42.24 H new ATOM 0 HG2 GLU A 17 3.879 -1.747 -7.149 1.00 33.43 H new ATOM 0 HG3 GLU A 17 4.902 -0.383 -7.554 1.00 33.43 H new ATOM 248 N ARG A 18 7.976 -3.914 -5.414 1.00 62.25 N ATOM 249 CA ARG A 18 9.075 -4.867 -5.313 1.00 72.35 C ATOM 250 C ARG A 18 8.700 -6.035 -4.405 1.00 3.52 C ATOM 251 O ARG A 18 9.012 -7.189 -4.701 1.00 10.02 O ATOM 252 CB ARG A 18 10.331 -4.176 -4.781 1.00 12.13 C ATOM 253 CG ARG A 18 11.567 -4.415 -5.634 1.00 14.20 C ATOM 254 CD ARG A 18 12.446 -3.177 -5.700 1.00 12.42 C ATOM 255 NE ARG A 18 13.861 -3.501 -5.545 1.00 13.12 N ATOM 256 CZ ARG A 18 14.417 -3.830 -4.384 1.00 62.00 C ATOM 257 NH1 ARG A 18 13.681 -3.877 -3.282 1.00 14.12 N ATOM 258 NH2 ARG A 18 15.712 -4.112 -4.323 1.00 41.14 N ATOM 0 H ARG A 18 8.073 -3.093 -4.817 1.00 62.25 H new ATOM 0 HA ARG A 18 9.278 -5.256 -6.311 1.00 72.35 H new ATOM 0 HB2 ARG A 18 10.146 -3.104 -4.717 1.00 12.13 H new ATOM 0 HB3 ARG A 18 10.526 -4.526 -3.768 1.00 12.13 H new ATOM 0 HG2 ARG A 18 12.139 -5.247 -5.223 1.00 14.20 H new ATOM 0 HG3 ARG A 18 11.265 -4.702 -6.641 1.00 14.20 H new ATOM 0 HD2 ARG A 18 12.292 -2.674 -6.654 1.00 12.42 H new ATOM 0 HD3 ARG A 18 12.147 -2.478 -4.919 1.00 12.42 H new ATOM 0 HE ARG A 18 14.455 -3.473 -6.373 1.00 13.12 H new ATOM 0 HH11 ARG A 18 12.685 -3.660 -3.324 1.00 14.12 H new ATOM 0 HH12 ARG A 18 14.111 -4.130 -2.392 1.00 14.12 H new ATOM 0 HH21 ARG A 18 16.282 -4.076 -5.168 1.00 41.14 H new ATOM 0 HH22 ARG A 18 16.138 -4.364 -3.431 1.00 41.14 H new ATOM 272 N ILE A 19 8.030 -5.726 -3.300 1.00 13.15 N ATOM 273 CA ILE A 19 7.613 -6.749 -2.349 1.00 60.35 C ATOM 274 C ILE A 19 6.673 -7.756 -3.003 1.00 63.31 C ATOM 275 O ILE A 19 5.762 -7.382 -3.741 1.00 73.43 O ATOM 276 CB ILE A 19 6.911 -6.129 -1.126 1.00 41.42 C ATOM 277 CG1 ILE A 19 7.848 -5.150 -0.416 1.00 1.34 C ATOM 278 CG2 ILE A 19 6.451 -7.219 -0.170 1.00 50.12 C ATOM 279 CD1 ILE A 19 7.151 -3.908 0.094 1.00 12.15 C ATOM 0 H ILE A 19 7.764 -4.776 -3.041 1.00 13.15 H new ATOM 0 HA ILE A 19 8.517 -7.260 -2.018 1.00 60.35 H new ATOM 0 HB ILE A 19 6.034 -5.580 -1.468 1.00 41.42 H new ATOM 0 HG12 ILE A 19 8.325 -5.659 0.422 1.00 1.34 H new ATOM 0 HG13 ILE A 19 8.641 -4.855 -1.103 1.00 1.34 H new ATOM 0 HG21 ILE A 19 5.957 -6.765 0.689 1.00 50.12 H new ATOM 0 HG22 ILE A 19 5.753 -7.881 -0.682 1.00 50.12 H new ATOM 0 HG23 ILE A 19 7.313 -7.793 0.169 1.00 50.12 H new ATOM 0 HD11 ILE A 19 7.876 -3.260 0.586 1.00 12.15 H new ATOM 0 HD12 ILE A 19 6.697 -3.376 -0.742 1.00 12.15 H new ATOM 0 HD13 ILE A 19 6.376 -4.192 0.806 1.00 12.15 H new ATOM 291 N ARG A 20 6.901 -9.036 -2.726 1.00 74.50 N ATOM 292 CA ARG A 20 6.075 -10.098 -3.287 1.00 35.25 C ATOM 293 C ARG A 20 5.071 -10.608 -2.256 1.00 52.34 C ATOM 294 O ARG A 20 5.353 -10.630 -1.058 1.00 15.45 O ATOM 295 CB ARG A 20 6.952 -11.253 -3.774 1.00 33.12 C ATOM 296 CG ARG A 20 7.932 -10.854 -4.865 1.00 41.34 C ATOM 297 CD ARG A 20 9.372 -10.987 -4.396 1.00 71.04 C ATOM 298 NE ARG A 20 9.742 -12.379 -4.152 1.00 14.33 N ATOM 299 CZ ARG A 20 10.993 -12.787 -3.971 1.00 2.41 C ATOM 300 NH1 ARG A 20 11.989 -11.912 -4.007 1.00 23.44 N ATOM 301 NH2 ARG A 20 11.249 -14.069 -3.753 1.00 61.44 N ATOM 0 H ARG A 20 7.651 -9.362 -2.116 1.00 74.50 H new ATOM 0 HA ARG A 20 5.525 -9.687 -4.133 1.00 35.25 H new ATOM 0 HB2 ARG A 20 7.508 -11.658 -2.928 1.00 33.12 H new ATOM 0 HB3 ARG A 20 6.312 -12.052 -4.147 1.00 33.12 H new ATOM 0 HG2 ARG A 20 7.775 -11.480 -5.743 1.00 41.34 H new ATOM 0 HG3 ARG A 20 7.741 -9.825 -5.169 1.00 41.34 H new ATOM 0 HD2 ARG A 20 10.038 -10.561 -5.146 1.00 71.04 H new ATOM 0 HD3 ARG A 20 9.510 -10.410 -3.482 1.00 71.04 H new ATOM 0 HE ARG A 20 8.998 -13.076 -4.119 1.00 14.33 H new ATOM 0 HH11 ARG A 20 11.795 -10.925 -4.174 1.00 23.44 H new ATOM 0 HH12 ARG A 20 12.949 -12.226 -3.868 1.00 23.44 H new ATOM 0 HH21 ARG A 20 10.485 -14.744 -3.724 1.00 61.44 H new ATOM 0 HH22 ARG A 20 12.210 -14.381 -3.614 1.00 61.44 H new ATOM 315 N LEU A 21 3.899 -11.016 -2.730 1.00 73.03 N ATOM 316 CA LEU A 21 2.853 -11.525 -1.851 1.00 22.45 C ATOM 317 C LEU A 21 3.320 -12.777 -1.116 1.00 65.51 C ATOM 318 O LEU A 21 2.815 -13.105 -0.042 1.00 75.14 O ATOM 319 CB LEU A 21 1.589 -11.834 -2.655 1.00 31.24 C ATOM 320 CG LEU A 21 0.981 -10.662 -3.426 1.00 73.14 C ATOM 321 CD1 LEU A 21 -0.051 -11.159 -4.427 1.00 34.34 C ATOM 322 CD2 LEU A 21 0.357 -9.659 -2.468 1.00 1.23 C ATOM 0 H LEU A 21 3.649 -11.004 -3.719 1.00 73.03 H new ATOM 0 HA LEU A 21 2.628 -10.755 -1.113 1.00 22.45 H new ATOM 0 HB2 LEU A 21 1.819 -12.629 -3.364 1.00 31.24 H new ATOM 0 HB3 LEU A 21 0.834 -12.224 -1.972 1.00 31.24 H new ATOM 0 HG LEU A 21 1.778 -10.161 -3.975 1.00 73.14 H new ATOM 0 HD11 LEU A 21 -0.473 -10.311 -4.966 1.00 34.34 H new ATOM 0 HD12 LEU A 21 0.426 -11.838 -5.134 1.00 34.34 H new ATOM 0 HD13 LEU A 21 -0.846 -11.685 -3.899 1.00 34.34 H new ATOM 0 HD21 LEU A 21 -0.071 -8.832 -3.035 1.00 1.23 H new ATOM 0 HD22 LEU A 21 -0.428 -10.147 -1.890 1.00 1.23 H new ATOM 0 HD23 LEU A 21 1.122 -9.278 -1.791 1.00 1.23 H new ATOM 334 N ARG A 22 4.291 -13.472 -1.702 1.00 34.54 N ATOM 335 CA ARG A 22 4.828 -14.688 -1.102 1.00 34.44 C ATOM 336 C ARG A 22 6.340 -14.763 -1.287 1.00 64.51 C ATOM 337 O ARG A 22 6.918 -14.106 -2.154 1.00 0.13 O ATOM 338 CB ARG A 22 4.166 -15.922 -1.718 1.00 40.42 C ATOM 339 CG ARG A 22 2.932 -16.392 -0.964 1.00 60.34 C ATOM 340 CD ARG A 22 2.909 -17.906 -0.826 1.00 33.32 C ATOM 341 NE ARG A 22 2.081 -18.538 -1.851 1.00 0.21 N ATOM 342 CZ ARG A 22 0.753 -18.513 -1.841 1.00 22.12 C ATOM 343 NH1 ARG A 22 0.106 -17.893 -0.865 1.00 10.13 N ATOM 344 NH2 ARG A 22 0.070 -19.110 -2.809 1.00 20.00 N ATOM 0 H ARG A 22 4.721 -13.214 -2.590 1.00 34.54 H new ATOM 0 HA ARG A 22 4.611 -14.663 -0.034 1.00 34.44 H new ATOM 0 HB2 ARG A 22 3.889 -15.699 -2.748 1.00 40.42 H new ATOM 0 HB3 ARG A 22 4.892 -16.734 -1.752 1.00 40.42 H new ATOM 0 HG2 ARG A 22 2.912 -15.935 0.025 1.00 60.34 H new ATOM 0 HG3 ARG A 22 2.035 -16.059 -1.487 1.00 60.34 H new ATOM 0 HD2 ARG A 22 3.926 -18.291 -0.894 1.00 33.32 H new ATOM 0 HD3 ARG A 22 2.532 -18.174 0.161 1.00 33.32 H new ATOM 0 HE ARG A 22 2.548 -19.025 -2.616 1.00 0.21 H new ATOM 0 HH11 ARG A 22 0.628 -17.433 -0.119 1.00 10.13 H new ATOM 0 HH12 ARG A 22 -0.914 -17.875 -0.860 1.00 10.13 H new ATOM 0 HH21 ARG A 22 0.565 -19.589 -3.562 1.00 20.00 H new ATOM 0 HH22 ARG A 22 -0.950 -19.090 -2.801 1.00 20.00 H new ATOM 358 N PRO A 23 6.999 -15.583 -0.455 1.00 32.15 N ATOM 359 CA PRO A 23 8.452 -15.764 -0.507 1.00 3.21 C ATOM 360 C PRO A 23 8.899 -16.516 -1.757 1.00 10.14 C ATOM 361 O PRO A 23 9.978 -16.265 -2.291 1.00 33.31 O ATOM 362 CB PRO A 23 8.754 -16.588 0.748 1.00 54.12 C ATOM 363 CG PRO A 23 7.484 -17.313 1.038 1.00 64.55 C ATOM 364 CD PRO A 23 6.375 -16.398 0.602 1.00 14.53 C ATOM 0 HA PRO A 23 8.979 -14.811 -0.545 1.00 3.21 H new ATOM 0 HB2 PRO A 23 9.577 -17.283 0.577 1.00 54.12 H new ATOM 0 HB3 PRO A 23 9.044 -15.948 1.582 1.00 54.12 H new ATOM 0 HG2 PRO A 23 7.443 -18.259 0.499 1.00 64.55 H new ATOM 0 HG3 PRO A 23 7.402 -17.547 2.099 1.00 64.55 H new ATOM 0 HD2 PRO A 23 5.518 -16.957 0.225 1.00 14.53 H new ATOM 0 HD3 PRO A 23 6.016 -15.781 1.426 1.00 14.53 H new ATOM 372 N GLY A 24 8.060 -17.438 -2.219 1.00 33.55 N ATOM 373 CA GLY A 24 8.386 -18.211 -3.402 1.00 74.04 C ATOM 374 C GLY A 24 7.433 -17.945 -4.549 1.00 73.04 C ATOM 375 O GLY A 24 7.313 -18.755 -5.468 1.00 2.42 O ATOM 0 H GLY A 24 7.160 -17.663 -1.795 1.00 33.55 H new ATOM 0 HA2 GLY A 24 9.403 -17.976 -3.717 1.00 74.04 H new ATOM 0 HA3 GLY A 24 8.366 -19.273 -3.156 1.00 74.04 H new ATOM 379 N GLY A 25 6.749 -16.805 -4.496 1.00 62.25 N ATOM 380 CA GLY A 25 5.809 -16.455 -5.545 1.00 72.32 C ATOM 381 C GLY A 25 6.370 -15.430 -6.509 1.00 52.20 C ATOM 382 O GLY A 25 7.547 -15.075 -6.434 1.00 54.35 O ATOM 0 H GLY A 25 6.829 -16.119 -3.746 1.00 62.25 H new ATOM 0 HA2 GLY A 25 5.533 -17.354 -6.096 1.00 72.32 H new ATOM 0 HA3 GLY A 25 4.896 -16.064 -5.095 1.00 72.32 H new ATOM 386 N LYS A 26 5.528 -14.952 -7.420 1.00 74.31 N ATOM 387 CA LYS A 26 5.946 -13.961 -8.405 1.00 34.35 C ATOM 388 C LYS A 26 4.974 -12.787 -8.440 1.00 41.32 C ATOM 389 O LYS A 26 5.092 -11.895 -9.281 1.00 31.20 O ATOM 390 CB LYS A 26 6.042 -14.600 -9.791 1.00 50.24 C ATOM 391 CG LYS A 26 4.706 -15.075 -10.337 1.00 22.32 C ATOM 392 CD LYS A 26 4.584 -16.588 -10.273 1.00 12.45 C ATOM 393 CE LYS A 26 3.353 -17.080 -11.019 1.00 11.31 C ATOM 394 NZ LYS A 26 2.121 -16.973 -10.190 1.00 31.13 N ATOM 0 H LYS A 26 4.551 -15.235 -7.496 1.00 74.31 H new ATOM 0 HA LYS A 26 6.928 -13.588 -8.115 1.00 34.35 H new ATOM 0 HB2 LYS A 26 6.473 -13.878 -10.485 1.00 50.24 H new ATOM 0 HB3 LYS A 26 6.727 -15.446 -9.745 1.00 50.24 H new ATOM 0 HG2 LYS A 26 3.896 -14.619 -9.767 1.00 22.32 H new ATOM 0 HG3 LYS A 26 4.595 -14.743 -11.369 1.00 22.32 H new ATOM 0 HD2 LYS A 26 5.477 -17.044 -10.701 1.00 12.45 H new ATOM 0 HD3 LYS A 26 4.531 -16.906 -9.232 1.00 12.45 H new ATOM 0 HE2 LYS A 26 3.227 -16.500 -11.933 1.00 11.31 H new ATOM 0 HE3 LYS A 26 3.500 -18.118 -11.318 1.00 11.31 H new ATOM 0 HZ1 LYS A 26 1.305 -17.318 -10.735 1.00 31.13 H new ATOM 0 HZ2 LYS A 26 2.231 -17.547 -9.330 1.00 31.13 H new ATOM 0 HZ3 LYS A 26 1.965 -15.979 -9.926 1.00 31.13 H new ATOM 408 N LYS A 27 4.014 -12.790 -7.522 1.00 25.34 N ATOM 409 CA LYS A 27 3.023 -11.724 -7.445 1.00 3.24 C ATOM 410 C LYS A 27 3.536 -10.564 -6.598 1.00 30.10 C ATOM 411 O LYS A 27 4.008 -10.760 -5.478 1.00 34.13 O ATOM 412 CB LYS A 27 1.714 -12.258 -6.859 1.00 2.22 C ATOM 413 CG LYS A 27 1.080 -13.360 -7.689 1.00 15.33 C ATOM 414 CD LYS A 27 0.373 -12.801 -8.911 1.00 54.35 C ATOM 415 CE LYS A 27 -1.116 -12.615 -8.658 1.00 34.30 C ATOM 416 NZ LYS A 27 -1.887 -13.855 -8.949 1.00 73.33 N ATOM 0 H LYS A 27 3.901 -13.521 -6.819 1.00 25.34 H new ATOM 0 HA LYS A 27 2.839 -11.359 -8.456 1.00 3.24 H new ATOM 0 HB2 LYS A 27 1.903 -12.635 -5.854 1.00 2.22 H new ATOM 0 HB3 LYS A 27 1.006 -11.435 -6.763 1.00 2.22 H new ATOM 0 HG2 LYS A 27 1.848 -14.067 -8.003 1.00 15.33 H new ATOM 0 HG3 LYS A 27 0.368 -13.914 -7.077 1.00 15.33 H new ATOM 0 HD2 LYS A 27 0.819 -11.845 -9.185 1.00 54.35 H new ATOM 0 HD3 LYS A 27 0.518 -13.474 -9.756 1.00 54.35 H new ATOM 0 HE2 LYS A 27 -1.274 -12.324 -7.620 1.00 34.30 H new ATOM 0 HE3 LYS A 27 -1.491 -11.800 -9.278 1.00 34.30 H new ATOM 0 HZ1 LYS A 27 -2.897 -13.687 -8.764 1.00 73.33 H new ATOM 0 HZ2 LYS A 27 -1.757 -14.119 -9.946 1.00 73.33 H new ATOM 0 HZ3 LYS A 27 -1.547 -14.626 -8.340 1.00 73.33 H new ATOM 430 N LYS A 28 3.440 -9.354 -7.140 1.00 14.32 N ATOM 431 CA LYS A 28 3.891 -8.161 -6.434 1.00 23.04 C ATOM 432 C LYS A 28 2.706 -7.314 -5.982 1.00 35.42 C ATOM 433 O LYS A 28 1.652 -7.315 -6.620 1.00 2.33 O ATOM 434 CB LYS A 28 4.812 -7.331 -7.331 1.00 45.52 C ATOM 435 CG LYS A 28 6.214 -7.902 -7.460 1.00 33.44 C ATOM 436 CD LYS A 28 6.853 -7.520 -8.784 1.00 55.20 C ATOM 437 CE LYS A 28 7.455 -8.729 -9.483 1.00 31.23 C ATOM 438 NZ LYS A 28 8.363 -9.494 -8.582 1.00 75.32 N ATOM 0 H LYS A 28 3.054 -9.174 -8.067 1.00 14.32 H new ATOM 0 HA LYS A 28 4.444 -8.480 -5.550 1.00 23.04 H new ATOM 0 HB2 LYS A 28 4.367 -7.256 -8.323 1.00 45.52 H new ATOM 0 HB3 LYS A 28 4.877 -6.318 -6.933 1.00 45.52 H new ATOM 0 HG2 LYS A 28 6.832 -7.539 -6.639 1.00 33.44 H new ATOM 0 HG3 LYS A 28 6.175 -8.988 -7.374 1.00 33.44 H new ATOM 0 HD2 LYS A 28 6.106 -7.060 -9.430 1.00 55.20 H new ATOM 0 HD3 LYS A 28 7.629 -6.774 -8.613 1.00 55.20 H new ATOM 0 HE2 LYS A 28 6.655 -9.382 -9.833 1.00 31.23 H new ATOM 0 HE3 LYS A 28 8.008 -8.402 -10.364 1.00 31.23 H new ATOM 0 HZ1 LYS A 28 9.098 -9.964 -9.148 1.00 75.32 H new ATOM 0 HZ2 LYS A 28 8.810 -8.843 -7.906 1.00 75.32 H new ATOM 0 HZ3 LYS A 28 7.815 -10.209 -8.063 1.00 75.32 H new ATOM 452 N TYR A 29 2.885 -6.595 -4.880 1.00 50.34 N ATOM 453 CA TYR A 29 1.829 -5.744 -4.343 1.00 22.30 C ATOM 454 C TYR A 29 1.425 -4.674 -5.353 1.00 2.12 C ATOM 455 O TYR A 29 2.260 -4.158 -6.095 1.00 62.14 O ATOM 456 CB TYR A 29 2.289 -5.085 -3.041 1.00 62.54 C ATOM 457 CG TYR A 29 2.067 -5.944 -1.817 1.00 14.33 C ATOM 458 CD1 TYR A 29 0.794 -6.111 -1.284 1.00 50.11 C ATOM 459 CD2 TYR A 29 3.127 -6.587 -1.192 1.00 44.41 C ATOM 460 CE1 TYR A 29 0.585 -6.894 -0.165 1.00 61.31 C ATOM 461 CE2 TYR A 29 2.928 -7.373 -0.074 1.00 44.11 C ATOM 462 CZ TYR A 29 1.655 -7.523 0.436 1.00 44.21 C ATOM 463 OH TYR A 29 1.454 -8.304 1.551 1.00 54.35 O ATOM 0 H TYR A 29 3.751 -6.584 -4.341 1.00 50.34 H new ATOM 0 HA TYR A 29 0.961 -6.371 -4.138 1.00 22.30 H new ATOM 0 HB2 TYR A 29 3.350 -4.846 -3.119 1.00 62.54 H new ATOM 0 HB3 TYR A 29 1.758 -4.142 -2.914 1.00 62.54 H new ATOM 0 HD1 TYR A 29 -0.046 -5.620 -1.753 1.00 50.11 H new ATOM 0 HD2 TYR A 29 4.125 -6.470 -1.587 1.00 44.41 H new ATOM 0 HE1 TYR A 29 -0.410 -7.013 0.237 1.00 61.31 H new ATOM 0 HE2 TYR A 29 3.764 -7.867 0.398 1.00 44.11 H new ATOM 0 HH TYR A 29 0.974 -9.120 1.297 1.00 54.35 H new ATOM 473 N ARG A 30 0.137 -4.345 -5.373 1.00 64.43 N ATOM 474 CA ARG A 30 -0.379 -3.337 -6.290 1.00 51.41 C ATOM 475 C ARG A 30 -1.599 -2.637 -5.699 1.00 34.15 C ATOM 476 O ARG A 30 -2.141 -3.067 -4.679 1.00 41.20 O ATOM 477 CB ARG A 30 -0.745 -3.977 -7.631 1.00 13.12 C ATOM 478 CG ARG A 30 -0.034 -3.351 -8.820 1.00 3.05 C ATOM 479 CD ARG A 30 -0.579 -3.879 -10.137 1.00 14.34 C ATOM 480 NE ARG A 30 0.481 -4.117 -11.113 1.00 1.15 N ATOM 481 CZ ARG A 30 0.294 -4.763 -12.258 1.00 14.52 C ATOM 482 NH1 ARG A 30 -0.907 -5.231 -12.570 1.00 73.34 N ATOM 483 NH2 ARG A 30 1.308 -4.940 -13.094 1.00 45.04 N ATOM 0 H ARG A 30 -0.567 -4.762 -4.765 1.00 64.43 H new ATOM 0 HA ARG A 30 0.402 -2.594 -6.450 1.00 51.41 H new ATOM 0 HB2 ARG A 30 -0.506 -5.040 -7.594 1.00 13.12 H new ATOM 0 HB3 ARG A 30 -1.822 -3.898 -7.780 1.00 13.12 H new ATOM 0 HG2 ARG A 30 -0.150 -2.268 -8.785 1.00 3.05 H new ATOM 0 HG3 ARG A 30 1.034 -3.559 -8.757 1.00 3.05 H new ATOM 0 HD2 ARG A 30 -1.122 -4.807 -9.958 1.00 14.34 H new ATOM 0 HD3 ARG A 30 -1.294 -3.165 -10.546 1.00 14.34 H new ATOM 0 HE ARG A 30 1.416 -3.768 -10.904 1.00 1.15 H new ATOM 0 HH11 ARG A 30 -1.689 -5.095 -11.930 1.00 73.34 H new ATOM 0 HH12 ARG A 30 -1.048 -5.727 -13.450 1.00 73.34 H new ATOM 0 HH21 ARG A 30 2.233 -4.580 -12.858 1.00 45.04 H new ATOM 0 HH22 ARG A 30 1.163 -5.436 -13.973 1.00 45.04 H new ATOM 497 N LEU A 31 -2.027 -1.558 -6.344 1.00 1.42 N ATOM 498 CA LEU A 31 -3.183 -0.798 -5.882 1.00 12.23 C ATOM 499 C LEU A 31 -4.371 -1.718 -5.621 1.00 22.23 C ATOM 500 O LEU A 31 -5.189 -1.459 -4.737 1.00 3.30 O ATOM 501 CB LEU A 31 -3.565 0.266 -6.913 1.00 71.33 C ATOM 502 CG LEU A 31 -3.123 1.695 -6.599 1.00 22.43 C ATOM 503 CD1 LEU A 31 -1.617 1.835 -6.756 1.00 21.52 C ATOM 504 CD2 LEU A 31 -3.848 2.687 -7.496 1.00 50.23 C ATOM 0 H LEU A 31 -1.591 -1.189 -7.189 1.00 1.42 H new ATOM 0 HA LEU A 31 -2.913 -0.308 -4.946 1.00 12.23 H new ATOM 0 HB2 LEU A 31 -3.141 -0.021 -7.875 1.00 71.33 H new ATOM 0 HB3 LEU A 31 -4.649 0.259 -7.028 1.00 71.33 H new ATOM 0 HG LEU A 31 -3.382 1.915 -5.563 1.00 22.43 H new ATOM 0 HD11 LEU A 31 -1.321 2.859 -6.528 1.00 21.52 H new ATOM 0 HD12 LEU A 31 -1.115 1.151 -6.071 1.00 21.52 H new ATOM 0 HD13 LEU A 31 -1.334 1.595 -7.781 1.00 21.52 H new ATOM 0 HD21 LEU A 31 -3.521 3.699 -7.258 1.00 50.23 H new ATOM 0 HD22 LEU A 31 -3.621 2.468 -8.539 1.00 50.23 H new ATOM 0 HD23 LEU A 31 -4.923 2.606 -7.334 1.00 50.23 H new ATOM 516 N LYS A 32 -4.458 -2.796 -6.392 1.00 73.14 N ATOM 517 CA LYS A 32 -5.544 -3.758 -6.242 1.00 61.11 C ATOM 518 C LYS A 32 -5.667 -4.219 -4.794 1.00 45.22 C ATOM 519 O LYS A 32 -6.772 -4.390 -4.277 1.00 44.05 O ATOM 520 CB LYS A 32 -5.312 -4.966 -7.155 1.00 4.40 C ATOM 521 CG LYS A 32 -6.417 -5.178 -8.175 1.00 34.31 C ATOM 522 CD LYS A 32 -7.125 -6.505 -7.961 1.00 62.41 C ATOM 523 CE LYS A 32 -8.306 -6.362 -7.015 1.00 20.21 C ATOM 524 NZ LYS A 32 -9.507 -7.091 -7.510 1.00 23.22 N ATOM 0 H LYS A 32 -3.790 -3.026 -7.127 1.00 73.14 H new ATOM 0 HA LYS A 32 -6.474 -3.266 -6.528 1.00 61.11 H new ATOM 0 HB2 LYS A 32 -4.365 -4.838 -7.679 1.00 4.40 H new ATOM 0 HB3 LYS A 32 -5.218 -5.862 -6.541 1.00 4.40 H new ATOM 0 HG2 LYS A 32 -7.139 -4.364 -8.106 1.00 34.31 H new ATOM 0 HG3 LYS A 32 -5.997 -5.147 -9.180 1.00 34.31 H new ATOM 0 HD2 LYS A 32 -7.470 -6.893 -8.919 1.00 62.41 H new ATOM 0 HD3 LYS A 32 -6.421 -7.233 -7.558 1.00 62.41 H new ATOM 0 HE2 LYS A 32 -8.031 -6.742 -6.031 1.00 20.21 H new ATOM 0 HE3 LYS A 32 -8.547 -5.306 -6.893 1.00 20.21 H new ATOM 0 HZ1 LYS A 32 -10.290 -6.968 -6.836 1.00 23.22 H new ATOM 0 HZ2 LYS A 32 -9.786 -6.712 -8.437 1.00 23.22 H new ATOM 0 HZ3 LYS A 32 -9.285 -8.103 -7.602 1.00 23.22 H new ATOM 538 N HIS A 33 -4.526 -4.417 -4.142 1.00 5.33 N ATOM 539 CA HIS A 33 -4.505 -4.856 -2.750 1.00 52.41 C ATOM 540 C HIS A 33 -4.841 -3.700 -1.812 1.00 25.31 C ATOM 541 O HIS A 33 -5.387 -3.979 -0.744 1.00 74.14 O ATOM 542 CB HIS A 33 -3.134 -5.434 -2.395 1.00 1.43 C ATOM 543 CG HIS A 33 -2.681 -6.515 -3.328 1.00 0.15 C ATOM 544 ND1 HIS A 33 -1.608 -6.371 -4.182 1.00 11.20 N ATOM 545 CD2 HIS A 33 -3.160 -7.763 -3.537 1.00 15.45 C ATOM 546 CE1 HIS A 33 -1.449 -7.484 -4.877 1.00 5.55 C ATOM 547 NE2 HIS A 33 -2.378 -8.345 -4.502 1.00 11.21 N ATOM 0 H HIS A 33 -3.603 -4.281 -4.555 1.00 5.33 H new ATOM 0 HA HIS A 33 -5.260 -5.632 -2.628 1.00 52.41 H new ATOM 0 HB2 HIS A 33 -2.398 -4.630 -2.398 1.00 1.43 H new ATOM 0 HB3 HIS A 33 -3.168 -5.831 -1.381 1.00 1.43 H new ATOM 0 HD2 HIS A 33 -4.002 -8.217 -3.036 1.00 15.45 H new ATOM 0 HE1 HIS A 33 -0.689 -7.660 -5.624 1.00 5.55 H new ATOM 0 HE2 HIS A 33 -2.495 -9.289 -4.870 1.00 11.21 H new ATOM 555 N ILE A 34 -4.540 -2.456 -2.168 1.00 4.31 N ATOM 556 CA ILE A 34 -4.843 -1.321 -1.305 1.00 41.12 C ATOM 557 C ILE A 34 -6.333 -1.000 -1.322 1.00 14.41 C ATOM 558 O ILE A 34 -6.925 -0.690 -0.287 1.00 41.45 O ATOM 559 CB ILE A 34 -4.054 -0.067 -1.727 1.00 15.43 C ATOM 560 CG1 ILE A 34 -2.572 -0.404 -1.902 1.00 33.34 C ATOM 561 CG2 ILE A 34 -4.232 1.042 -0.699 1.00 75.21 C ATOM 562 CD1 ILE A 34 -1.726 0.783 -2.303 1.00 63.41 C ATOM 0 H ILE A 34 -4.087 -2.208 -3.048 1.00 4.31 H new ATOM 0 HA ILE A 34 -4.547 -1.604 -0.295 1.00 41.12 H new ATOM 0 HB ILE A 34 -4.443 0.283 -2.683 1.00 15.43 H new ATOM 0 HG12 ILE A 34 -2.188 -0.814 -0.968 1.00 33.34 H new ATOM 0 HG13 ILE A 34 -2.472 -1.183 -2.658 1.00 33.34 H new ATOM 0 HG21 ILE A 34 -3.669 1.921 -1.011 1.00 75.21 H new ATOM 0 HG22 ILE A 34 -5.289 1.298 -0.619 1.00 75.21 H new ATOM 0 HG23 ILE A 34 -3.866 0.702 0.270 1.00 75.21 H new ATOM 0 HD11 ILE A 34 -0.687 0.470 -2.409 1.00 63.41 H new ATOM 0 HD12 ILE A 34 -2.084 1.181 -3.253 1.00 63.41 H new ATOM 0 HD13 ILE A 34 -1.796 1.555 -1.537 1.00 63.41 H new ATOM 574 N VAL A 35 -6.937 -1.077 -2.503 1.00 61.12 N ATOM 575 CA VAL A 35 -8.360 -0.797 -2.655 1.00 63.55 C ATOM 576 C VAL A 35 -9.197 -1.709 -1.766 1.00 61.31 C ATOM 577 O VAL A 35 -10.114 -1.256 -1.083 1.00 53.41 O ATOM 578 CB VAL A 35 -8.812 -0.968 -4.118 1.00 22.53 C ATOM 579 CG1 VAL A 35 -10.307 -0.715 -4.248 1.00 44.01 C ATOM 580 CG2 VAL A 35 -8.024 -0.040 -5.031 1.00 13.23 C ATOM 0 H VAL A 35 -6.463 -1.331 -3.370 1.00 61.12 H new ATOM 0 HA VAL A 35 -8.513 0.239 -2.354 1.00 63.55 H new ATOM 0 HB VAL A 35 -8.614 -1.995 -4.424 1.00 22.53 H new ATOM 0 HG11 VAL A 35 -10.608 -0.840 -5.288 1.00 44.01 H new ATOM 0 HG12 VAL A 35 -10.852 -1.424 -3.625 1.00 44.01 H new ATOM 0 HG13 VAL A 35 -10.534 0.301 -3.925 1.00 44.01 H new ATOM 0 HG21 VAL A 35 -8.356 -0.174 -6.060 1.00 13.23 H new ATOM 0 HG22 VAL A 35 -8.189 0.994 -4.728 1.00 13.23 H new ATOM 0 HG23 VAL A 35 -6.962 -0.274 -4.959 1.00 13.23 H new ATOM 590 N TRP A 36 -8.874 -2.998 -1.780 1.00 71.10 N ATOM 591 CA TRP A 36 -9.597 -3.975 -0.974 1.00 21.02 C ATOM 592 C TRP A 36 -9.371 -3.727 0.513 1.00 54.30 C ATOM 593 O TRP A 36 -10.286 -3.880 1.323 1.00 23.30 O ATOM 594 CB TRP A 36 -9.157 -5.394 -1.340 1.00 13.25 C ATOM 595 CG TRP A 36 -9.881 -6.457 -0.570 1.00 11.41 C ATOM 596 CD1 TRP A 36 -11.126 -6.954 -0.830 1.00 41.12 C ATOM 597 CD2 TRP A 36 -9.404 -7.152 0.588 1.00 70.22 C ATOM 598 NE1 TRP A 36 -11.452 -7.916 0.095 1.00 63.10 N ATOM 599 CE2 TRP A 36 -10.412 -8.057 0.975 1.00 44.43 C ATOM 600 CE3 TRP A 36 -8.223 -7.100 1.333 1.00 42.35 C ATOM 601 CZ2 TRP A 36 -10.272 -8.899 2.075 1.00 65.54 C ATOM 602 CZ3 TRP A 36 -8.086 -7.936 2.424 1.00 31.31 C ATOM 603 CH2 TRP A 36 -9.105 -8.827 2.786 1.00 5.14 C ATOM 0 H TRP A 36 -8.117 -3.390 -2.340 1.00 71.10 H new ATOM 0 HA TRP A 36 -10.661 -3.867 -1.184 1.00 21.02 H new ATOM 0 HB2 TRP A 36 -9.319 -5.553 -2.406 1.00 13.25 H new ATOM 0 HB3 TRP A 36 -8.086 -5.492 -1.162 1.00 13.25 H new ATOM 0 HD1 TRP A 36 -11.761 -6.637 -1.644 1.00 41.12 H new ATOM 0 HE1 TRP A 36 -12.327 -8.440 0.122 1.00 63.10 H new ATOM 0 HE3 TRP A 36 -7.431 -6.418 1.061 1.00 42.35 H new ATOM 0 HZ2 TRP A 36 -11.057 -9.585 2.357 1.00 65.54 H new ATOM 0 HZ3 TRP A 36 -7.178 -7.902 3.008 1.00 31.31 H new ATOM 0 HH2 TRP A 36 -8.967 -9.470 3.643 1.00 5.14 H new ATOM 614 N ALA A 37 -8.150 -3.343 0.866 1.00 25.24 N ATOM 615 CA ALA A 37 -7.806 -3.072 2.256 1.00 25.41 C ATOM 616 C ALA A 37 -8.533 -1.835 2.771 1.00 53.21 C ATOM 617 O ALA A 37 -9.120 -1.852 3.852 1.00 32.31 O ATOM 618 CB ALA A 37 -6.301 -2.901 2.404 1.00 0.43 C ATOM 0 H ALA A 37 -7.381 -3.212 0.208 1.00 25.24 H new ATOM 0 HA ALA A 37 -8.125 -3.925 2.855 1.00 25.41 H new ATOM 0 HB1 ALA A 37 -6.059 -2.699 3.447 1.00 0.43 H new ATOM 0 HB2 ALA A 37 -5.798 -3.814 2.085 1.00 0.43 H new ATOM 0 HB3 ALA A 37 -5.967 -2.067 1.786 1.00 0.43 H new ATOM 624 N ALA A 38 -8.489 -0.761 1.989 1.00 12.42 N ATOM 625 CA ALA A 38 -9.146 0.485 2.365 1.00 20.22 C ATOM 626 C ALA A 38 -10.658 0.306 2.450 1.00 74.25 C ATOM 627 O ALA A 38 -11.287 0.713 3.424 1.00 53.21 O ATOM 628 CB ALA A 38 -8.798 1.586 1.375 1.00 62.33 C ATOM 0 H ALA A 38 -8.005 -0.729 1.092 1.00 12.42 H new ATOM 0 HA ALA A 38 -8.785 0.772 3.352 1.00 20.22 H new ATOM 0 HB1 ALA A 38 -9.296 2.510 1.669 1.00 62.33 H new ATOM 0 HB2 ALA A 38 -7.719 1.741 1.368 1.00 62.33 H new ATOM 0 HB3 ALA A 38 -9.129 1.297 0.378 1.00 62.33 H new ATOM 634 N ASN A 39 -11.235 -0.308 1.420 1.00 2.44 N ATOM 635 CA ASN A 39 -12.673 -0.540 1.377 1.00 13.24 C ATOM 636 C ASN A 39 -13.133 -1.331 2.598 1.00 12.55 C ATOM 637 O ASN A 39 -14.235 -1.123 3.108 1.00 64.21 O ATOM 638 CB ASN A 39 -13.052 -1.289 0.099 1.00 72.01 C ATOM 639 CG ASN A 39 -14.508 -1.712 0.086 1.00 53.31 C ATOM 640 OD1 ASN A 39 -15.382 -0.958 -0.345 1.00 21.43 O ATOM 641 ND2 ASN A 39 -14.777 -2.923 0.561 1.00 74.31 N ATOM 0 H ASN A 39 -10.728 -0.653 0.605 1.00 2.44 H new ATOM 0 HA ASN A 39 -13.172 0.429 1.384 1.00 13.24 H new ATOM 0 HB2 ASN A 39 -12.854 -0.653 -0.764 1.00 72.01 H new ATOM 0 HB3 ASN A 39 -12.420 -2.171 -0.003 1.00 72.01 H new ATOM 0 HD21 ASN A 39 -15.739 -3.262 0.579 1.00 74.31 H new ATOM 0 HD22 ASN A 39 -14.022 -3.514 0.908 1.00 74.31 H new ATOM 648 N LYS A 40 -12.282 -2.237 3.065 1.00 64.15 N ATOM 649 CA LYS A 40 -12.597 -3.058 4.227 1.00 30.34 C ATOM 650 C LYS A 40 -12.644 -2.212 5.495 1.00 20.14 C ATOM 651 O LYS A 40 -13.485 -2.431 6.368 1.00 2.43 O ATOM 652 CB LYS A 40 -11.562 -4.175 4.385 1.00 11.33 C ATOM 653 CG LYS A 40 -11.917 -5.444 3.630 1.00 62.54 C ATOM 654 CD LYS A 40 -12.502 -6.498 4.554 1.00 73.42 C ATOM 655 CE LYS A 40 -13.151 -7.628 3.769 1.00 35.22 C ATOM 656 NZ LYS A 40 -13.345 -8.845 4.607 1.00 43.52 N ATOM 0 H LYS A 40 -11.366 -2.422 2.655 1.00 64.15 H new ATOM 0 HA LYS A 40 -13.580 -3.502 4.070 1.00 30.34 H new ATOM 0 HB2 LYS A 40 -10.594 -3.814 4.037 1.00 11.33 H new ATOM 0 HB3 LYS A 40 -11.453 -4.411 5.444 1.00 11.33 H new ATOM 0 HG2 LYS A 40 -12.634 -5.211 2.842 1.00 62.54 H new ATOM 0 HG3 LYS A 40 -11.026 -5.840 3.143 1.00 62.54 H new ATOM 0 HD2 LYS A 40 -11.716 -6.901 5.192 1.00 73.42 H new ATOM 0 HD3 LYS A 40 -13.241 -6.038 5.211 1.00 73.42 H new ATOM 0 HE2 LYS A 40 -14.115 -7.295 3.383 1.00 35.22 H new ATOM 0 HE3 LYS A 40 -12.530 -7.875 2.908 1.00 35.22 H new ATOM 0 HZ1 LYS A 40 -13.790 -9.592 4.036 1.00 43.52 H new ATOM 0 HZ2 LYS A 40 -12.423 -9.177 4.955 1.00 43.52 H new ATOM 0 HZ3 LYS A 40 -13.958 -8.616 5.415 1.00 43.52 H new ATOM 670 N LEU A 41 -11.739 -1.244 5.589 1.00 62.43 N ATOM 671 CA LEU A 41 -11.678 -0.363 6.750 1.00 20.32 C ATOM 672 C LEU A 41 -12.963 0.446 6.886 1.00 20.25 C ATOM 673 O LEU A 41 -13.582 0.472 7.951 1.00 1.42 O ATOM 674 CB LEU A 41 -10.478 0.579 6.638 1.00 60.33 C ATOM 675 CG LEU A 41 -9.100 -0.083 6.675 1.00 4.35 C ATOM 676 CD1 LEU A 41 -8.012 0.934 6.369 1.00 25.13 C ATOM 677 CD2 LEU A 41 -8.857 -0.735 8.029 1.00 35.10 C ATOM 0 H LEU A 41 -11.037 -1.049 4.875 1.00 62.43 H new ATOM 0 HA LEU A 41 -11.564 -0.982 7.640 1.00 20.32 H new ATOM 0 HB2 LEU A 41 -10.566 1.138 5.706 1.00 60.33 H new ATOM 0 HB3 LEU A 41 -10.533 1.303 7.451 1.00 60.33 H new ATOM 0 HG LEU A 41 -9.070 -0.859 5.910 1.00 4.35 H new ATOM 0 HD11 LEU A 41 -7.038 0.445 6.400 1.00 25.13 H new ATOM 0 HD12 LEU A 41 -8.176 1.355 5.377 1.00 25.13 H new ATOM 0 HD13 LEU A 41 -8.041 1.732 7.111 1.00 25.13 H new ATOM 0 HD21 LEU A 41 -7.872 -1.201 8.037 1.00 35.10 H new ATOM 0 HD22 LEU A 41 -8.907 0.022 8.812 1.00 35.10 H new ATOM 0 HD23 LEU A 41 -9.619 -1.494 8.209 1.00 35.10 H new ATOM 689 N ASP A 42 -13.361 1.104 5.803 1.00 60.41 N ATOM 690 CA ASP A 42 -14.575 1.912 5.800 1.00 62.41 C ATOM 691 C ASP A 42 -15.764 1.106 6.314 1.00 34.24 C ATOM 692 O ASP A 42 -16.501 1.559 7.190 1.00 24.14 O ATOM 693 CB ASP A 42 -14.864 2.430 4.391 1.00 11.53 C ATOM 694 CG ASP A 42 -14.802 3.943 4.307 1.00 43.14 C ATOM 695 OD1 ASP A 42 -15.623 4.608 4.972 1.00 61.32 O ATOM 696 OD2 ASP A 42 -13.932 4.461 3.576 1.00 64.12 O ATOM 0 H ASP A 42 -12.860 1.094 4.915 1.00 60.41 H new ATOM 0 HA ASP A 42 -14.420 2.761 6.465 1.00 62.41 H new ATOM 0 HB2 ASP A 42 -14.144 2.000 3.694 1.00 11.53 H new ATOM 0 HB3 ASP A 42 -15.852 2.092 4.078 1.00 11.53 H new ATOM 701 N ARG A 43 -15.947 -0.089 5.762 1.00 71.23 N ATOM 702 CA ARG A 43 -17.048 -0.956 6.162 1.00 70.12 C ATOM 703 C ARG A 43 -16.878 -1.419 7.605 1.00 24.34 C ATOM 704 O ARG A 43 -17.787 -1.279 8.425 1.00 51.11 O ATOM 705 CB ARG A 43 -17.134 -2.168 5.233 1.00 33.31 C ATOM 706 CG ARG A 43 -17.883 -1.892 3.939 1.00 4.11 C ATOM 707 CD ARG A 43 -18.465 -3.167 3.349 1.00 2.51 C ATOM 708 NE ARG A 43 -19.895 -3.289 3.614 1.00 32.33 N ATOM 709 CZ ARG A 43 -20.702 -4.100 2.937 1.00 2.41 C ATOM 710 NH1 ARG A 43 -20.220 -4.855 1.961 1.00 64.31 N ATOM 711 NH2 ARG A 43 -21.993 -4.155 3.237 1.00 21.13 N ATOM 0 H ARG A 43 -15.346 -0.479 5.036 1.00 71.23 H new ATOM 0 HA ARG A 43 -17.973 -0.384 6.089 1.00 70.12 H new ATOM 0 HB2 ARG A 43 -16.125 -2.504 4.994 1.00 33.31 H new ATOM 0 HB3 ARG A 43 -17.626 -2.985 5.760 1.00 33.31 H new ATOM 0 HG2 ARG A 43 -18.685 -1.178 4.127 1.00 4.11 H new ATOM 0 HG3 ARG A 43 -17.208 -1.431 3.218 1.00 4.11 H new ATOM 0 HD2 ARG A 43 -18.293 -3.180 2.273 1.00 2.51 H new ATOM 0 HD3 ARG A 43 -17.944 -4.030 3.765 1.00 2.51 H new ATOM 0 HE ARG A 43 -20.297 -2.721 4.360 1.00 32.33 H new ATOM 0 HH11 ARG A 43 -19.228 -4.815 1.728 1.00 64.31 H new ATOM 0 HH12 ARG A 43 -20.841 -5.477 1.443 1.00 64.31 H new ATOM 0 HH21 ARG A 43 -22.367 -3.575 3.988 1.00 21.13 H new ATOM 0 HH22 ARG A 43 -22.611 -4.778 2.717 1.00 21.13 H new ATOM 725 N PHE A 44 -15.708 -1.972 7.911 1.00 52.04 N ATOM 726 CA PHE A 44 -15.419 -2.457 9.255 1.00 33.10 C ATOM 727 C PHE A 44 -15.732 -1.388 10.298 1.00 24.10 C ATOM 728 O PHE A 44 -16.379 -1.660 11.308 1.00 74.54 O ATOM 729 CB PHE A 44 -13.953 -2.879 9.364 1.00 43.44 C ATOM 730 CG PHE A 44 -13.724 -4.335 9.077 1.00 74.13 C ATOM 731 CD1 PHE A 44 -14.419 -5.309 9.775 1.00 72.20 C ATOM 732 CD2 PHE A 44 -12.817 -4.729 8.107 1.00 34.52 C ATOM 733 CE1 PHE A 44 -14.210 -6.650 9.514 1.00 73.24 C ATOM 734 CE2 PHE A 44 -12.605 -6.069 7.840 1.00 24.41 C ATOM 735 CZ PHE A 44 -13.303 -7.030 8.544 1.00 25.32 C ATOM 0 H PHE A 44 -14.945 -2.095 7.245 1.00 52.04 H new ATOM 0 HA PHE A 44 -16.053 -3.322 9.446 1.00 33.10 H new ATOM 0 HB2 PHE A 44 -13.359 -2.283 8.671 1.00 43.44 H new ATOM 0 HB3 PHE A 44 -13.592 -2.654 10.368 1.00 43.44 H new ATOM 0 HD1 PHE A 44 -15.132 -5.017 10.532 1.00 72.20 H new ATOM 0 HD2 PHE A 44 -12.269 -3.981 7.553 1.00 34.52 H new ATOM 0 HE1 PHE A 44 -14.755 -7.400 10.068 1.00 73.24 H new ATOM 0 HE2 PHE A 44 -11.894 -6.364 7.082 1.00 24.41 H new ATOM 0 HZ PHE A 44 -13.140 -8.077 8.337 1.00 25.32 H new ATOM 745 N GLY A 45 -15.265 -0.168 10.045 1.00 22.43 N ATOM 746 CA GLY A 45 -15.502 0.923 10.971 1.00 13.31 C ATOM 747 C GLY A 45 -14.313 1.855 11.087 1.00 22.43 C ATOM 748 O GLY A 45 -14.402 2.914 11.710 1.00 22.10 O ATOM 0 H GLY A 45 -14.727 0.083 9.215 1.00 22.43 H new ATOM 0 HA2 GLY A 45 -16.373 1.490 10.644 1.00 13.31 H new ATOM 0 HA3 GLY A 45 -15.738 0.516 11.954 1.00 13.31 H new ATOM 752 N LEU A 46 -13.194 1.459 10.490 1.00 11.43 N ATOM 753 CA LEU A 46 -11.979 2.266 10.531 1.00 12.51 C ATOM 754 C LEU A 46 -11.895 3.186 9.317 1.00 65.32 C ATOM 755 O LEU A 46 -12.638 3.023 8.350 1.00 14.34 O ATOM 756 CB LEU A 46 -10.746 1.363 10.587 1.00 3.21 C ATOM 757 CG LEU A 46 -10.492 0.655 11.918 1.00 11.43 C ATOM 758 CD1 LEU A 46 -10.618 -0.851 11.755 1.00 61.21 C ATOM 759 CD2 LEU A 46 -9.120 1.022 12.464 1.00 24.34 C ATOM 0 H LEU A 46 -13.103 0.585 9.972 1.00 11.43 H new ATOM 0 HA LEU A 46 -12.012 2.883 11.429 1.00 12.51 H new ATOM 0 HB2 LEU A 46 -10.839 0.606 9.808 1.00 3.21 H new ATOM 0 HB3 LEU A 46 -9.869 1.964 10.345 1.00 3.21 H new ATOM 0 HG LEU A 46 -11.246 0.986 12.633 1.00 11.43 H new ATOM 0 HD11 LEU A 46 -10.434 -1.337 12.713 1.00 61.21 H new ATOM 0 HD12 LEU A 46 -11.622 -1.097 11.410 1.00 61.21 H new ATOM 0 HD13 LEU A 46 -9.888 -1.200 11.025 1.00 61.21 H new ATOM 0 HD21 LEU A 46 -8.956 0.509 13.412 1.00 24.34 H new ATOM 0 HD22 LEU A 46 -8.352 0.721 11.751 1.00 24.34 H new ATOM 0 HD23 LEU A 46 -9.067 2.099 12.621 1.00 24.34 H new ATOM 771 N ALA A 47 -10.982 4.151 9.374 1.00 50.02 N ATOM 772 CA ALA A 47 -10.798 5.094 8.278 1.00 71.54 C ATOM 773 C ALA A 47 -9.750 4.590 7.291 1.00 42.12 C ATOM 774 O ALA A 47 -9.079 3.589 7.541 1.00 2.25 O ATOM 775 CB ALA A 47 -10.405 6.461 8.817 1.00 33.11 C ATOM 0 H ALA A 47 -10.359 4.300 10.168 1.00 50.02 H new ATOM 0 HA ALA A 47 -11.745 5.185 7.747 1.00 71.54 H new ATOM 0 HB1 ALA A 47 -10.271 7.155 7.987 1.00 33.11 H new ATOM 0 HB2 ALA A 47 -11.190 6.831 9.476 1.00 33.11 H new ATOM 0 HB3 ALA A 47 -9.472 6.378 9.374 1.00 33.11 H new ATOM 781 N GLU A 48 -9.614 5.291 6.169 1.00 24.12 N ATOM 782 CA GLU A 48 -8.647 4.913 5.146 1.00 42.44 C ATOM 783 C GLU A 48 -7.392 5.777 5.237 1.00 74.35 C ATOM 784 O GLU A 48 -6.323 5.389 4.766 1.00 61.13 O ATOM 785 CB GLU A 48 -9.269 5.043 3.754 1.00 51.03 C ATOM 786 CG GLU A 48 -9.589 6.475 3.360 1.00 13.22 C ATOM 787 CD GLU A 48 -10.667 6.561 2.297 1.00 21.15 C ATOM 788 OE1 GLU A 48 -11.187 5.500 1.893 1.00 64.31 O ATOM 789 OE2 GLU A 48 -10.990 7.689 1.869 1.00 31.43 O ATOM 0 H GLU A 48 -10.161 6.123 5.946 1.00 24.12 H new ATOM 0 HA GLU A 48 -8.364 3.874 5.315 1.00 42.44 H new ATOM 0 HB2 GLU A 48 -8.586 4.617 3.019 1.00 51.03 H new ATOM 0 HB3 GLU A 48 -10.184 4.452 3.718 1.00 51.03 H new ATOM 0 HG2 GLU A 48 -9.910 7.028 4.243 1.00 13.22 H new ATOM 0 HG3 GLU A 48 -8.683 6.958 2.993 1.00 13.22 H new ATOM 796 N SER A 49 -7.531 6.950 5.845 1.00 13.31 N ATOM 797 CA SER A 49 -6.412 7.872 5.995 1.00 25.11 C ATOM 798 C SER A 49 -5.332 7.273 6.892 1.00 70.03 C ATOM 799 O SER A 49 -4.200 7.757 6.928 1.00 42.04 O ATOM 800 CB SER A 49 -6.893 9.203 6.576 1.00 61.13 C ATOM 801 OG SER A 49 -8.295 9.348 6.426 1.00 25.51 O ATOM 0 H SER A 49 -8.409 7.285 6.242 1.00 13.31 H new ATOM 0 HA SER A 49 -5.984 8.049 5.008 1.00 25.11 H new ATOM 0 HB2 SER A 49 -6.629 9.259 7.632 1.00 61.13 H new ATOM 0 HB3 SER A 49 -6.383 10.027 6.076 1.00 61.13 H new ATOM 0 HG SER A 49 -8.578 10.206 6.807 1.00 25.51 H new ATOM 807 N LEU A 50 -5.690 6.218 7.615 1.00 71.42 N ATOM 808 CA LEU A 50 -4.753 5.552 8.512 1.00 61.44 C ATOM 809 C LEU A 50 -3.769 4.689 7.729 1.00 32.42 C ATOM 810 O LEU A 50 -2.765 4.224 8.271 1.00 5.21 O ATOM 811 CB LEU A 50 -5.511 4.690 9.524 1.00 4.24 C ATOM 812 CG LEU A 50 -6.628 5.390 10.298 1.00 43.50 C ATOM 813 CD1 LEU A 50 -7.352 4.404 11.201 1.00 0.45 C ATOM 814 CD2 LEU A 50 -6.068 6.549 11.112 1.00 51.23 C ATOM 0 H LEU A 50 -6.623 5.805 7.598 1.00 71.42 H new ATOM 0 HA LEU A 50 -4.191 6.319 9.045 1.00 61.44 H new ATOM 0 HB2 LEU A 50 -5.940 3.838 8.996 1.00 4.24 H new ATOM 0 HB3 LEU A 50 -4.794 4.292 10.241 1.00 4.24 H new ATOM 0 HG LEU A 50 -7.346 5.788 9.581 1.00 43.50 H new ATOM 0 HD11 LEU A 50 -8.143 4.921 11.744 1.00 0.45 H new ATOM 0 HD12 LEU A 50 -7.787 3.608 10.596 1.00 0.45 H new ATOM 0 HD13 LEU A 50 -6.646 3.975 11.912 1.00 0.45 H new ATOM 0 HD21 LEU A 50 -6.877 7.036 11.656 1.00 51.23 H new ATOM 0 HD22 LEU A 50 -5.329 6.173 11.820 1.00 51.23 H new ATOM 0 HD23 LEU A 50 -5.596 7.269 10.443 1.00 51.23 H new ATOM 826 N LEU A 51 -4.061 4.478 6.451 1.00 75.34 N ATOM 827 CA LEU A 51 -3.202 3.672 5.591 1.00 5.11 C ATOM 828 C LEU A 51 -2.063 4.511 5.021 1.00 44.32 C ATOM 829 O LEU A 51 -1.113 3.978 4.448 1.00 63.11 O ATOM 830 CB LEU A 51 -4.017 3.057 4.452 1.00 11.23 C ATOM 831 CG LEU A 51 -4.543 1.642 4.692 1.00 14.24 C ATOM 832 CD1 LEU A 51 -5.587 1.277 3.648 1.00 14.23 C ATOM 833 CD2 LEU A 51 -3.400 0.638 4.679 1.00 0.35 C ATOM 0 H LEU A 51 -4.887 4.854 5.987 1.00 75.34 H new ATOM 0 HA LEU A 51 -2.774 2.872 6.195 1.00 5.11 H new ATOM 0 HB2 LEU A 51 -4.866 3.709 4.246 1.00 11.23 H new ATOM 0 HB3 LEU A 51 -3.399 3.046 3.554 1.00 11.23 H new ATOM 0 HG LEU A 51 -5.015 1.612 5.674 1.00 14.24 H new ATOM 0 HD11 LEU A 51 -5.950 0.266 3.835 1.00 14.23 H new ATOM 0 HD12 LEU A 51 -6.420 1.978 3.705 1.00 14.23 H new ATOM 0 HD13 LEU A 51 -5.140 1.324 2.655 1.00 14.23 H new ATOM 0 HD21 LEU A 51 -3.794 -0.364 4.851 1.00 0.35 H new ATOM 0 HD22 LEU A 51 -2.899 0.669 3.711 1.00 0.35 H new ATOM 0 HD23 LEU A 51 -2.687 0.888 5.465 1.00 0.35 H new ATOM 845 N GLU A 52 -2.164 5.827 5.182 1.00 34.53 N ATOM 846 CA GLU A 52 -1.142 6.738 4.685 1.00 42.33 C ATOM 847 C GLU A 52 -0.379 7.384 5.839 1.00 61.13 C ATOM 848 O GLU A 52 0.171 8.477 5.700 1.00 33.13 O ATOM 849 CB GLU A 52 -1.775 7.822 3.809 1.00 0.32 C ATOM 850 CG GLU A 52 -2.848 8.629 4.520 1.00 3.41 C ATOM 851 CD GLU A 52 -3.209 9.901 3.777 1.00 21.02 C ATOM 852 OE1 GLU A 52 -3.768 9.802 2.665 1.00 11.04 O ATOM 853 OE2 GLU A 52 -2.932 10.996 4.310 1.00 1.30 O ATOM 0 H GLU A 52 -2.944 6.285 5.653 1.00 34.53 H new ATOM 0 HA GLU A 52 -0.439 6.160 4.085 1.00 42.33 H new ATOM 0 HB2 GLU A 52 -0.994 8.498 3.461 1.00 0.32 H new ATOM 0 HB3 GLU A 52 -2.209 7.355 2.925 1.00 0.32 H new ATOM 0 HG2 GLU A 52 -3.741 8.015 4.637 1.00 3.41 H new ATOM 0 HG3 GLU A 52 -2.502 8.883 5.522 1.00 3.41 H new ATOM 860 N SER A 53 -0.352 6.699 6.977 1.00 3.34 N ATOM 861 CA SER A 53 0.339 7.206 8.157 1.00 2.35 C ATOM 862 C SER A 53 0.718 6.067 9.097 1.00 21.55 C ATOM 863 O SER A 53 -0.119 5.238 9.458 1.00 70.53 O ATOM 864 CB SER A 53 -0.541 8.218 8.894 1.00 3.33 C ATOM 865 OG SER A 53 -1.150 7.632 10.030 1.00 34.33 O ATOM 0 H SER A 53 -0.800 5.792 7.107 1.00 3.34 H new ATOM 0 HA SER A 53 1.253 7.701 7.827 1.00 2.35 H new ATOM 0 HB2 SER A 53 0.062 9.073 9.201 1.00 3.33 H new ATOM 0 HB3 SER A 53 -1.310 8.595 8.220 1.00 3.33 H new ATOM 0 HG SER A 53 -0.949 8.171 10.823 1.00 34.33 H new ATOM 871 N LYS A 54 1.986 6.029 9.492 1.00 0.43 N ATOM 872 CA LYS A 54 2.479 4.993 10.392 1.00 60.42 C ATOM 873 C LYS A 54 1.663 4.958 11.680 1.00 33.33 C ATOM 874 O LYS A 54 1.214 3.896 12.112 1.00 51.23 O ATOM 875 CB LYS A 54 3.955 5.230 10.716 1.00 32.10 C ATOM 876 CG LYS A 54 4.762 3.950 10.849 1.00 44.11 C ATOM 877 CD LYS A 54 5.642 3.971 12.088 1.00 2.21 C ATOM 878 CE LYS A 54 6.644 5.114 12.039 1.00 13.14 C ATOM 879 NZ LYS A 54 6.353 6.151 13.069 1.00 20.33 N ATOM 0 H LYS A 54 2.692 6.705 9.202 1.00 0.43 H new ATOM 0 HA LYS A 54 2.374 4.031 9.891 1.00 60.42 H new ATOM 0 HB2 LYS A 54 4.395 5.848 9.933 1.00 32.10 H new ATOM 0 HB3 LYS A 54 4.028 5.794 11.646 1.00 32.10 H new ATOM 0 HG2 LYS A 54 4.086 3.096 10.896 1.00 44.11 H new ATOM 0 HG3 LYS A 54 5.383 3.817 9.963 1.00 44.11 H new ATOM 0 HD2 LYS A 54 5.019 4.070 12.977 1.00 2.21 H new ATOM 0 HD3 LYS A 54 6.173 3.023 12.175 1.00 2.21 H new ATOM 0 HE2 LYS A 54 7.650 4.722 12.192 1.00 13.14 H new ATOM 0 HE3 LYS A 54 6.627 5.570 11.049 1.00 13.14 H new ATOM 0 HZ1 LYS A 54 7.216 6.697 13.265 1.00 20.33 H new ATOM 0 HZ2 LYS A 54 5.611 6.790 12.719 1.00 20.33 H new ATOM 0 HZ3 LYS A 54 6.029 5.691 13.943 1.00 20.33 H new ATOM 893 N GLU A 55 1.475 6.125 12.288 1.00 74.34 N ATOM 894 CA GLU A 55 0.712 6.225 13.527 1.00 71.11 C ATOM 895 C GLU A 55 -0.694 5.659 13.348 1.00 73.13 C ATOM 896 O GLU A 55 -1.242 5.030 14.252 1.00 4.12 O ATOM 897 CB GLU A 55 0.632 7.683 13.986 1.00 54.32 C ATOM 898 CG GLU A 55 -0.033 7.859 15.340 1.00 1.32 C ATOM 899 CD GLU A 55 -1.547 7.843 15.253 1.00 0.31 C ATOM 900 OE1 GLU A 55 -2.096 8.511 14.352 1.00 2.33 O ATOM 901 OE2 GLU A 55 -2.183 7.163 16.085 1.00 64.44 O ATOM 0 H GLU A 55 1.840 7.013 11.944 1.00 74.34 H new ATOM 0 HA GLU A 55 1.226 5.639 14.289 1.00 71.11 H new ATOM 0 HB2 GLU A 55 1.639 8.097 14.029 1.00 54.32 H new ATOM 0 HB3 GLU A 55 0.081 8.259 13.243 1.00 54.32 H new ATOM 0 HG2 GLU A 55 0.297 7.064 16.009 1.00 1.32 H new ATOM 0 HG3 GLU A 55 0.292 8.802 15.780 1.00 1.32 H new ATOM 908 N GLY A 56 -1.273 5.888 12.173 1.00 22.03 N ATOM 909 CA GLY A 56 -2.610 5.396 11.896 1.00 1.23 C ATOM 910 C GLY A 56 -2.635 3.902 11.641 1.00 11.31 C ATOM 911 O GLY A 56 -3.464 3.184 12.201 1.00 33.05 O ATOM 0 H GLY A 56 -0.840 6.405 11.408 1.00 22.03 H new ATOM 0 HA2 GLY A 56 -3.262 5.629 12.738 1.00 1.23 H new ATOM 0 HA3 GLY A 56 -3.013 5.917 11.027 1.00 1.23 H new ATOM 915 N CYS A 57 -1.728 3.433 10.792 1.00 32.52 N ATOM 916 CA CYS A 57 -1.651 2.014 10.462 1.00 53.00 C ATOM 917 C CYS A 57 -1.503 1.169 11.723 1.00 43.12 C ATOM 918 O CYS A 57 -1.993 0.042 11.787 1.00 65.43 O ATOM 919 CB CYS A 57 -0.479 1.752 9.515 1.00 31.45 C ATOM 920 SG CYS A 57 -0.964 1.480 7.796 1.00 43.13 S ATOM 0 H CYS A 57 -1.036 4.014 10.319 1.00 32.52 H new ATOM 0 HA CYS A 57 -2.579 1.731 9.965 1.00 53.00 H new ATOM 0 HB2 CYS A 57 0.205 2.599 9.558 1.00 31.45 H new ATOM 0 HB3 CYS A 57 0.071 0.880 9.868 1.00 31.45 H new ATOM 0 HG CYS A 57 -0.592 2.495 7.074 1.00 43.13 H new ATOM 926 N GLN A 58 -0.822 1.721 12.722 1.00 61.01 N ATOM 927 CA GLN A 58 -0.606 1.016 13.980 1.00 3.42 C ATOM 928 C GLN A 58 -1.921 0.826 14.729 1.00 40.05 C ATOM 929 O GLN A 58 -2.113 -0.172 15.423 1.00 75.54 O ATOM 930 CB GLN A 58 0.387 1.785 14.855 1.00 74.33 C ATOM 931 CG GLN A 58 1.151 0.900 15.827 1.00 2.32 C ATOM 932 CD GLN A 58 0.725 1.110 17.266 1.00 13.02 C ATOM 933 OE1 GLN A 58 -0.438 0.905 17.617 1.00 31.44 O ATOM 934 NE2 GLN A 58 1.665 1.521 18.109 1.00 72.33 N ATOM 0 H GLN A 58 -0.411 2.654 12.685 1.00 61.01 H new ATOM 0 HA GLN A 58 -0.193 0.033 13.752 1.00 3.42 H new ATOM 0 HB2 GLN A 58 1.098 2.304 14.213 1.00 74.33 H new ATOM 0 HB3 GLN A 58 -0.151 2.548 15.417 1.00 74.33 H new ATOM 0 HG2 GLN A 58 1.000 -0.145 15.556 1.00 2.32 H new ATOM 0 HG3 GLN A 58 2.218 1.102 15.735 1.00 2.32 H new ATOM 0 HE21 GLN A 58 2.616 1.678 17.775 1.00 72.33 H new ATOM 0 HE22 GLN A 58 1.436 1.679 19.090 1.00 72.33 H new ATOM 943 N LYS A 59 -2.824 1.790 14.585 1.00 3.14 N ATOM 944 CA LYS A 59 -4.121 1.730 15.247 1.00 70.21 C ATOM 945 C LYS A 59 -5.009 0.667 14.606 1.00 14.54 C ATOM 946 O LYS A 59 -5.941 0.163 15.234 1.00 10.21 O ATOM 947 CB LYS A 59 -4.813 3.094 15.185 1.00 72.45 C ATOM 948 CG LYS A 59 -5.958 3.239 16.171 1.00 14.32 C ATOM 949 CD LYS A 59 -6.528 4.648 16.160 1.00 42.43 C ATOM 950 CE LYS A 59 -7.522 4.857 17.292 1.00 5.31 C ATOM 951 NZ LYS A 59 -8.890 4.402 16.921 1.00 0.31 N ATOM 0 H LYS A 59 -2.681 2.623 14.015 1.00 3.14 H new ATOM 0 HA LYS A 59 -3.957 1.461 16.290 1.00 70.21 H new ATOM 0 HB2 LYS A 59 -4.077 3.875 15.378 1.00 72.45 H new ATOM 0 HB3 LYS A 59 -5.191 3.255 14.175 1.00 72.45 H new ATOM 0 HG2 LYS A 59 -6.744 2.525 15.925 1.00 14.32 H new ATOM 0 HG3 LYS A 59 -5.609 2.995 17.174 1.00 14.32 H new ATOM 0 HD2 LYS A 59 -5.717 5.370 16.249 1.00 42.43 H new ATOM 0 HD3 LYS A 59 -7.018 4.836 15.205 1.00 42.43 H new ATOM 0 HE2 LYS A 59 -7.186 4.314 18.175 1.00 5.31 H new ATOM 0 HE3 LYS A 59 -7.551 5.913 17.559 1.00 5.31 H new ATOM 0 HZ1 LYS A 59 -9.537 4.562 17.719 1.00 0.31 H new ATOM 0 HZ2 LYS A 59 -9.222 4.938 16.094 1.00 0.31 H new ATOM 0 HZ3 LYS A 59 -8.868 3.388 16.691 1.00 0.31 H new ATOM 965 N ILE A 60 -4.714 0.332 13.354 1.00 23.04 N ATOM 966 CA ILE A 60 -5.485 -0.671 12.632 1.00 62.53 C ATOM 967 C ILE A 60 -5.012 -2.081 12.976 1.00 50.42 C ATOM 968 O ILE A 60 -5.822 -2.977 13.217 1.00 3.14 O ATOM 969 CB ILE A 60 -5.386 -0.467 11.108 1.00 23.23 C ATOM 970 CG1 ILE A 60 -5.713 0.982 10.744 1.00 52.23 C ATOM 971 CG2 ILE A 60 -6.319 -1.425 10.384 1.00 61.23 C ATOM 972 CD1 ILE A 60 -5.474 1.307 9.286 1.00 40.24 C ATOM 0 H ILE A 60 -3.947 0.741 12.820 1.00 23.04 H new ATOM 0 HA ILE A 60 -6.524 -0.553 12.940 1.00 62.53 H new ATOM 0 HB ILE A 60 -4.364 -0.679 10.793 1.00 23.23 H new ATOM 0 HG12 ILE A 60 -6.757 1.182 10.986 1.00 52.23 H new ATOM 0 HG13 ILE A 60 -5.109 1.648 11.360 1.00 52.23 H new ATOM 0 HG21 ILE A 60 -6.238 -1.269 9.308 1.00 61.23 H new ATOM 0 HG22 ILE A 60 -6.043 -2.452 10.623 1.00 61.23 H new ATOM 0 HG23 ILE A 60 -7.346 -1.242 10.701 1.00 61.23 H new ATOM 0 HD11 ILE A 60 -5.727 2.351 9.100 1.00 40.24 H new ATOM 0 HD12 ILE A 60 -4.425 1.139 9.043 1.00 40.24 H new ATOM 0 HD13 ILE A 60 -6.098 0.666 8.663 1.00 40.24 H new ATOM 984 N LEU A 61 -3.697 -2.269 12.998 1.00 55.01 N ATOM 985 CA LEU A 61 -3.116 -3.568 13.315 1.00 11.02 C ATOM 986 C LEU A 61 -3.579 -4.051 14.686 1.00 21.54 C ATOM 987 O LEU A 61 -3.760 -5.250 14.906 1.00 64.42 O ATOM 988 CB LEU A 61 -1.589 -3.489 13.278 1.00 1.00 C ATOM 989 CG LEU A 61 -0.952 -3.466 11.888 1.00 2.42 C ATOM 990 CD1 LEU A 61 0.558 -3.316 11.996 1.00 5.40 C ATOM 991 CD2 LEU A 61 -1.310 -4.727 11.117 1.00 62.54 C ATOM 0 H LEU A 61 -3.013 -1.538 12.800 1.00 55.01 H new ATOM 0 HA LEU A 61 -3.454 -4.283 12.565 1.00 11.02 H new ATOM 0 HB2 LEU A 61 -1.278 -2.592 13.813 1.00 1.00 H new ATOM 0 HB3 LEU A 61 -1.188 -4.342 13.826 1.00 1.00 H new ATOM 0 HG LEU A 61 -1.344 -2.607 11.343 1.00 2.42 H new ATOM 0 HD11 LEU A 61 0.995 -3.302 10.997 1.00 5.40 H new ATOM 0 HD12 LEU A 61 0.795 -2.384 12.509 1.00 5.40 H new ATOM 0 HD13 LEU A 61 0.968 -4.155 12.559 1.00 5.40 H new ATOM 0 HD21 LEU A 61 -0.848 -4.694 10.130 1.00 62.54 H new ATOM 0 HD22 LEU A 61 -0.946 -5.600 11.659 1.00 62.54 H new ATOM 0 HD23 LEU A 61 -2.393 -4.792 11.009 1.00 62.54 H new ATOM 1003 N THR A 62 -3.770 -3.111 15.606 1.00 15.00 N ATOM 1004 CA THR A 62 -4.213 -3.441 16.955 1.00 12.41 C ATOM 1005 C THR A 62 -5.633 -3.996 16.947 1.00 24.32 C ATOM 1006 O THR A 62 -6.012 -4.769 17.827 1.00 34.11 O ATOM 1007 CB THR A 62 -4.160 -2.210 17.880 1.00 14.00 C ATOM 1008 OG1 THR A 62 -3.901 -2.621 19.227 1.00 45.20 O ATOM 1009 CG2 THR A 62 -5.468 -1.434 17.824 1.00 44.04 C ATOM 0 H THR A 62 -3.625 -2.115 15.442 1.00 15.00 H new ATOM 0 HA THR A 62 -3.531 -4.202 17.335 1.00 12.41 H new ATOM 0 HB THR A 62 -3.355 -1.560 17.537 1.00 14.00 H new ATOM 0 HG1 THR A 62 -3.867 -1.833 19.809 1.00 45.20 H new ATOM 0 HG21 THR A 62 -5.407 -0.570 18.485 1.00 44.04 H new ATOM 0 HG22 THR A 62 -5.648 -1.098 16.803 1.00 44.04 H new ATOM 0 HG23 THR A 62 -6.287 -2.078 18.144 1.00 44.04 H new ATOM 1017 N VAL A 63 -6.414 -3.597 15.949 1.00 73.53 N ATOM 1018 CA VAL A 63 -7.792 -4.057 15.826 1.00 73.04 C ATOM 1019 C VAL A 63 -7.864 -5.391 15.090 1.00 1.42 C ATOM 1020 O VAL A 63 -8.591 -6.298 15.497 1.00 52.24 O ATOM 1021 CB VAL A 63 -8.663 -3.027 15.083 1.00 15.22 C ATOM 1022 CG1 VAL A 63 -10.088 -3.539 14.935 1.00 32.42 C ATOM 1023 CG2 VAL A 63 -8.642 -1.690 15.808 1.00 33.04 C ATOM 0 H VAL A 63 -6.116 -2.956 15.214 1.00 73.53 H new ATOM 0 HA VAL A 63 -8.174 -4.183 16.839 1.00 73.04 H new ATOM 0 HB VAL A 63 -8.249 -2.881 14.085 1.00 15.22 H new ATOM 0 HG11 VAL A 63 -10.688 -2.797 14.408 1.00 32.42 H new ATOM 0 HG12 VAL A 63 -10.083 -4.471 14.369 1.00 32.42 H new ATOM 0 HG13 VAL A 63 -10.515 -3.716 15.922 1.00 32.42 H new ATOM 0 HG21 VAL A 63 -9.263 -0.974 15.269 1.00 33.04 H new ATOM 0 HG22 VAL A 63 -9.030 -1.818 16.819 1.00 33.04 H new ATOM 0 HG23 VAL A 63 -7.618 -1.318 15.857 1.00 33.04 H new ATOM 1033 N LEU A 64 -7.104 -5.503 14.006 1.00 33.15 N ATOM 1034 CA LEU A 64 -7.080 -6.728 13.213 1.00 40.11 C ATOM 1035 C LEU A 64 -6.245 -7.805 13.899 1.00 42.35 C ATOM 1036 O LEU A 64 -6.311 -8.979 13.536 1.00 24.44 O ATOM 1037 CB LEU A 64 -6.521 -6.444 11.818 1.00 44.23 C ATOM 1038 CG LEU A 64 -7.453 -5.701 10.859 1.00 10.02 C ATOM 1039 CD1 LEU A 64 -6.724 -5.347 9.573 1.00 63.23 C ATOM 1040 CD2 LEU A 64 -8.688 -6.538 10.561 1.00 62.51 C ATOM 0 H LEU A 64 -6.497 -4.762 13.656 1.00 33.15 H new ATOM 0 HA LEU A 64 -8.103 -7.092 13.121 1.00 40.11 H new ATOM 0 HB2 LEU A 64 -5.606 -5.862 11.927 1.00 44.23 H new ATOM 0 HB3 LEU A 64 -6.243 -7.393 11.360 1.00 44.23 H new ATOM 0 HG LEU A 64 -7.772 -4.775 11.338 1.00 10.02 H new ATOM 0 HD11 LEU A 64 -7.403 -4.819 8.903 1.00 63.23 H new ATOM 0 HD12 LEU A 64 -5.871 -4.708 9.802 1.00 63.23 H new ATOM 0 HD13 LEU A 64 -6.375 -6.259 9.090 1.00 63.23 H new ATOM 0 HD21 LEU A 64 -9.340 -5.994 9.877 1.00 62.51 H new ATOM 0 HD22 LEU A 64 -8.387 -7.480 10.103 1.00 62.51 H new ATOM 0 HD23 LEU A 64 -9.223 -6.740 11.489 1.00 62.51 H new ATOM 1052 N ASP A 65 -5.463 -7.396 14.891 1.00 3.12 N ATOM 1053 CA ASP A 65 -4.616 -8.326 15.630 1.00 13.22 C ATOM 1054 C ASP A 65 -5.453 -9.432 16.267 1.00 63.44 C ATOM 1055 O ASP A 65 -5.284 -10.617 15.976 1.00 72.33 O ATOM 1056 CB ASP A 65 -3.826 -7.583 16.708 1.00 24.41 C ATOM 1057 CG ASP A 65 -2.340 -7.536 16.408 1.00 55.23 C ATOM 1058 OD1 ASP A 65 -1.749 -8.610 16.169 1.00 33.15 O ATOM 1059 OD2 ASP A 65 -1.770 -6.425 16.411 1.00 63.41 O ATOM 0 H ASP A 65 -5.397 -6.427 15.203 1.00 3.12 H new ATOM 0 HA ASP A 65 -3.918 -8.781 14.928 1.00 13.22 H new ATOM 0 HB2 ASP A 65 -4.208 -6.566 16.798 1.00 24.41 H new ATOM 0 HB3 ASP A 65 -3.984 -8.069 17.671 1.00 24.41 H new ATOM 1064 N PRO A 66 -6.375 -9.040 17.157 1.00 70.13 N ATOM 1065 CA PRO A 66 -7.256 -9.983 17.853 1.00 60.11 C ATOM 1066 C PRO A 66 -8.282 -10.615 16.920 1.00 13.42 C ATOM 1067 O PRO A 66 -8.963 -11.571 17.287 1.00 13.32 O ATOM 1068 CB PRO A 66 -7.951 -9.111 18.902 1.00 41.01 C ATOM 1069 CG PRO A 66 -7.911 -7.734 18.336 1.00 31.04 C ATOM 1070 CD PRO A 66 -6.631 -7.645 17.552 1.00 11.34 C ATOM 0 HA PRO A 66 -6.703 -10.822 18.275 1.00 60.11 H new ATOM 0 HB2 PRO A 66 -8.976 -9.439 19.073 1.00 41.01 H new ATOM 0 HB3 PRO A 66 -7.436 -9.160 19.862 1.00 41.01 H new ATOM 0 HG2 PRO A 66 -8.774 -7.550 17.696 1.00 31.04 H new ATOM 0 HG3 PRO A 66 -7.936 -6.986 19.128 1.00 31.04 H new ATOM 0 HD2 PRO A 66 -6.736 -6.994 16.684 1.00 11.34 H new ATOM 0 HD3 PRO A 66 -5.817 -7.242 18.155 1.00 11.34 H new ATOM 1078 N MET A 67 -8.389 -10.073 15.711 1.00 50.53 N ATOM 1079 CA MET A 67 -9.332 -10.586 14.724 1.00 13.22 C ATOM 1080 C MET A 67 -8.855 -11.918 14.155 1.00 4.43 C ATOM 1081 O MET A 67 -9.638 -12.678 13.586 1.00 21.43 O ATOM 1082 CB MET A 67 -9.522 -9.572 13.593 1.00 62.21 C ATOM 1083 CG MET A 67 -10.297 -8.333 14.010 1.00 24.31 C ATOM 1084 SD MET A 67 -12.082 -8.569 13.926 1.00 52.20 S ATOM 1085 CE MET A 67 -12.587 -7.044 13.134 1.00 54.01 C ATOM 0 H MET A 67 -7.834 -9.279 15.391 1.00 50.53 H new ATOM 0 HA MET A 67 -10.288 -10.747 15.222 1.00 13.22 H new ATOM 0 HB2 MET A 67 -8.544 -9.270 13.219 1.00 62.21 H new ATOM 0 HB3 MET A 67 -10.043 -10.055 12.767 1.00 62.21 H new ATOM 0 HG2 MET A 67 -10.018 -8.060 15.028 1.00 24.31 H new ATOM 0 HG3 MET A 67 -10.014 -7.499 13.368 1.00 24.31 H new ATOM 0 HE1 MET A 67 -13.670 -7.039 13.011 1.00 54.01 H new ATOM 0 HE2 MET A 67 -12.288 -6.197 13.751 1.00 54.01 H new ATOM 0 HE3 MET A 67 -12.111 -6.967 12.156 1.00 54.01 H new ATOM 1095 N VAL A 68 -7.564 -12.193 14.312 1.00 63.32 N ATOM 1096 CA VAL A 68 -6.982 -13.434 13.814 1.00 62.44 C ATOM 1097 C VAL A 68 -7.619 -14.647 14.482 1.00 1.23 C ATOM 1098 O VAL A 68 -8.203 -15.512 13.829 1.00 22.21 O ATOM 1099 CB VAL A 68 -5.460 -13.474 14.047 1.00 10.23 C ATOM 1100 CG1 VAL A 68 -4.978 -14.909 14.193 1.00 61.43 C ATOM 1101 CG2 VAL A 68 -4.728 -12.769 12.914 1.00 13.00 C ATOM 0 H VAL A 68 -6.902 -11.574 14.780 1.00 63.32 H new ATOM 0 HA VAL A 68 -7.179 -13.468 12.742 1.00 62.44 H new ATOM 0 HB VAL A 68 -5.239 -12.947 14.975 1.00 10.23 H new ATOM 0 HG11 VAL A 68 -3.900 -14.916 14.357 1.00 61.43 H new ATOM 0 HG12 VAL A 68 -5.477 -15.376 15.042 1.00 61.43 H new ATOM 0 HG13 VAL A 68 -5.210 -15.465 13.285 1.00 61.43 H new ATOM 0 HG21 VAL A 68 -3.654 -12.807 13.095 1.00 13.00 H new ATOM 0 HG22 VAL A 68 -4.954 -13.265 11.970 1.00 13.00 H new ATOM 0 HG23 VAL A 68 -5.051 -11.729 12.864 1.00 13.00 H new ATOM 1111 N PRO A 69 -7.506 -14.714 15.817 1.00 34.53 N ATOM 1112 CA PRO A 69 -8.066 -15.816 16.605 1.00 62.50 C ATOM 1113 C PRO A 69 -9.590 -15.790 16.637 1.00 70.34 C ATOM 1114 O PRO A 69 -10.225 -16.676 17.211 1.00 10.21 O ATOM 1115 CB PRO A 69 -7.497 -15.576 18.005 1.00 34.55 C ATOM 1116 CG PRO A 69 -7.221 -14.114 18.057 1.00 73.01 C ATOM 1117 CD PRO A 69 -6.824 -13.719 16.661 1.00 44.24 C ATOM 0 HA PRO A 69 -7.808 -16.789 16.186 1.00 62.50 H new ATOM 0 HB2 PRO A 69 -8.207 -15.872 18.777 1.00 34.55 H new ATOM 0 HB3 PRO A 69 -6.589 -16.156 18.168 1.00 34.55 H new ATOM 0 HG2 PRO A 69 -8.102 -13.562 18.383 1.00 73.01 H new ATOM 0 HG3 PRO A 69 -6.424 -13.892 18.767 1.00 73.01 H new ATOM 0 HD2 PRO A 69 -7.144 -12.704 16.424 1.00 44.24 H new ATOM 0 HD3 PRO A 69 -5.743 -13.752 16.526 1.00 44.24 H new ATOM 1125 N THR A 70 -10.173 -14.770 16.015 1.00 53.11 N ATOM 1126 CA THR A 70 -11.623 -14.629 15.973 1.00 13.32 C ATOM 1127 C THR A 70 -12.090 -14.162 14.599 1.00 51.01 C ATOM 1128 O THR A 70 -12.893 -13.237 14.486 1.00 51.31 O ATOM 1129 CB THR A 70 -12.121 -13.632 17.037 1.00 71.13 C ATOM 1130 OG1 THR A 70 -11.799 -12.294 16.645 1.00 24.10 O ATOM 1131 CG2 THR A 70 -11.500 -13.934 18.392 1.00 15.45 C ATOM 0 H THR A 70 -9.663 -14.029 15.533 1.00 53.11 H new ATOM 0 HA THR A 70 -12.043 -15.613 16.182 1.00 13.32 H new ATOM 0 HB THR A 70 -13.203 -13.733 17.120 1.00 71.13 H new ATOM 0 HG1 THR A 70 -12.255 -12.081 15.804 1.00 24.10 H new ATOM 0 HG21 THR A 70 -11.866 -13.218 19.128 1.00 15.45 H new ATOM 0 HG22 THR A 70 -11.773 -14.943 18.701 1.00 15.45 H new ATOM 0 HG23 THR A 70 -10.415 -13.858 18.320 1.00 15.45 H new ATOM 1139 N GLY A 71 -11.583 -14.810 13.554 1.00 1.14 N ATOM 1140 CA GLY A 71 -11.960 -14.447 12.201 1.00 73.33 C ATOM 1141 C GLY A 71 -11.810 -15.600 11.228 1.00 21.35 C ATOM 1142 O GLY A 71 -11.626 -16.747 11.637 1.00 4.25 O ATOM 0 H GLY A 71 -10.918 -15.580 13.621 1.00 1.14 H new ATOM 0 HA2 GLY A 71 -12.994 -14.103 12.195 1.00 73.33 H new ATOM 0 HA3 GLY A 71 -11.344 -13.612 11.867 1.00 73.33 H new ATOM 1146 N SER A 72 -11.890 -15.297 9.937 1.00 24.51 N ATOM 1147 CA SER A 72 -11.766 -16.318 8.903 1.00 34.53 C ATOM 1148 C SER A 72 -10.540 -16.064 8.032 1.00 70.25 C ATOM 1149 O SER A 72 -9.707 -15.214 8.347 1.00 34.13 O ATOM 1150 CB SER A 72 -13.025 -16.349 8.035 1.00 75.15 C ATOM 1151 OG SER A 72 -12.872 -15.534 6.885 1.00 32.24 O ATOM 0 H SER A 72 -12.040 -14.353 9.582 1.00 24.51 H new ATOM 0 HA SER A 72 -11.647 -17.284 9.393 1.00 34.53 H new ATOM 0 HB2 SER A 72 -13.237 -17.375 7.732 1.00 75.15 H new ATOM 0 HB3 SER A 72 -13.880 -16.005 8.617 1.00 75.15 H new ATOM 0 HG SER A 72 -13.689 -15.572 6.346 1.00 32.24 H new ATOM 1157 N GLU A 73 -10.437 -16.807 6.935 1.00 24.21 N ATOM 1158 CA GLU A 73 -9.311 -16.663 6.018 1.00 20.12 C ATOM 1159 C GLU A 73 -9.307 -15.279 5.376 1.00 12.10 C ATOM 1160 O GLU A 73 -8.276 -14.610 5.327 1.00 54.52 O ATOM 1161 CB GLU A 73 -9.367 -17.742 4.934 1.00 42.41 C ATOM 1162 CG GLU A 73 -8.798 -19.079 5.375 1.00 22.43 C ATOM 1163 CD GLU A 73 -9.823 -20.195 5.322 1.00 41.23 C ATOM 1164 OE1 GLU A 73 -10.151 -20.647 4.205 1.00 23.23 O ATOM 1165 OE2 GLU A 73 -10.297 -20.616 6.397 1.00 33.15 O ATOM 0 H GLU A 73 -11.118 -17.514 6.659 1.00 24.21 H new ATOM 0 HA GLU A 73 -8.391 -16.781 6.590 1.00 20.12 H new ATOM 0 HB2 GLU A 73 -10.403 -17.882 4.626 1.00 42.41 H new ATOM 0 HB3 GLU A 73 -8.818 -17.394 4.059 1.00 42.41 H new ATOM 0 HG2 GLU A 73 -7.952 -19.337 4.738 1.00 22.43 H new ATOM 0 HG3 GLU A 73 -8.416 -18.989 6.392 1.00 22.43 H new ATOM 1172 N ASN A 74 -10.468 -14.859 4.883 1.00 5.11 N ATOM 1173 CA ASN A 74 -10.598 -13.555 4.242 1.00 3.02 C ATOM 1174 C ASN A 74 -10.109 -12.444 5.165 1.00 2.44 C ATOM 1175 O ASN A 74 -9.697 -11.377 4.707 1.00 22.12 O ATOM 1176 CB ASN A 74 -12.054 -13.302 3.847 1.00 3.34 C ATOM 1177 CG ASN A 74 -12.414 -13.946 2.523 1.00 74.13 C ATOM 1178 OD1 ASN A 74 -13.203 -14.890 2.474 1.00 35.04 O ATOM 1179 ND2 ASN A 74 -11.836 -13.438 1.441 1.00 74.30 N ATOM 0 H ASN A 74 -11.331 -15.402 4.915 1.00 5.11 H new ATOM 0 HA ASN A 74 -9.979 -13.555 3.345 1.00 3.02 H new ATOM 0 HB2 ASN A 74 -12.711 -13.688 4.626 1.00 3.34 H new ATOM 0 HB3 ASN A 74 -12.229 -12.228 3.785 1.00 3.34 H new ATOM 0 HD21 ASN A 74 -12.040 -13.831 0.522 1.00 74.30 H new ATOM 0 HD22 ASN A 74 -11.188 -12.655 1.529 1.00 74.30 H new ATOM 1186 N LEU A 75 -10.157 -12.700 6.468 1.00 55.21 N ATOM 1187 CA LEU A 75 -9.719 -11.721 7.457 1.00 23.54 C ATOM 1188 C LEU A 75 -8.202 -11.747 7.613 1.00 5.33 C ATOM 1189 O LEU A 75 -7.550 -10.703 7.621 1.00 25.34 O ATOM 1190 CB LEU A 75 -10.386 -11.996 8.806 1.00 23.15 C ATOM 1191 CG LEU A 75 -10.212 -10.915 9.873 1.00 31.20 C ATOM 1192 CD1 LEU A 75 -11.456 -10.819 10.743 1.00 52.23 C ATOM 1193 CD2 LEU A 75 -8.985 -11.199 10.726 1.00 2.21 C ATOM 0 H LEU A 75 -10.495 -13.577 6.864 1.00 55.21 H new ATOM 0 HA LEU A 75 -10.014 -10.731 7.108 1.00 23.54 H new ATOM 0 HB2 LEU A 75 -11.453 -12.144 8.638 1.00 23.15 H new ATOM 0 HB3 LEU A 75 -9.992 -12.933 9.199 1.00 23.15 H new ATOM 0 HG LEU A 75 -10.068 -9.958 9.372 1.00 31.20 H new ATOM 0 HD11 LEU A 75 -11.314 -10.045 11.497 1.00 52.23 H new ATOM 0 HD12 LEU A 75 -12.316 -10.568 10.122 1.00 52.23 H new ATOM 0 HD13 LEU A 75 -11.631 -11.776 11.235 1.00 52.23 H new ATOM 0 HD21 LEU A 75 -8.877 -10.419 11.480 1.00 2.21 H new ATOM 0 HD22 LEU A 75 -9.099 -12.165 11.217 1.00 2.21 H new ATOM 0 HD23 LEU A 75 -8.098 -11.216 10.093 1.00 2.21 H new ATOM 1205 N LYS A 76 -7.644 -12.947 7.734 1.00 52.12 N ATOM 1206 CA LYS A 76 -6.203 -13.111 7.886 1.00 73.11 C ATOM 1207 C LYS A 76 -5.454 -12.400 6.764 1.00 51.43 C ATOM 1208 O LYS A 76 -4.356 -11.882 6.969 1.00 51.12 O ATOM 1209 CB LYS A 76 -5.837 -14.597 7.896 1.00 24.22 C ATOM 1210 CG LYS A 76 -5.446 -15.117 9.268 1.00 22.31 C ATOM 1211 CD LYS A 76 -5.881 -16.560 9.462 1.00 0.25 C ATOM 1212 CE LYS A 76 -5.826 -16.966 10.928 1.00 53.21 C ATOM 1213 NZ LYS A 76 -5.372 -18.375 11.096 1.00 55.14 N ATOM 0 H LYS A 76 -8.169 -13.822 7.730 1.00 52.12 H new ATOM 0 HA LYS A 76 -5.909 -12.664 8.836 1.00 73.11 H new ATOM 0 HB2 LYS A 76 -6.684 -15.174 7.526 1.00 24.22 H new ATOM 0 HB3 LYS A 76 -5.011 -14.764 7.204 1.00 24.22 H new ATOM 0 HG2 LYS A 76 -4.366 -15.042 9.392 1.00 22.31 H new ATOM 0 HG3 LYS A 76 -5.900 -14.493 10.038 1.00 22.31 H new ATOM 0 HD2 LYS A 76 -6.896 -16.689 9.085 1.00 0.25 H new ATOM 0 HD3 LYS A 76 -5.238 -17.217 8.877 1.00 0.25 H new ATOM 0 HE2 LYS A 76 -5.150 -16.300 11.464 1.00 53.21 H new ATOM 0 HE3 LYS A 76 -6.813 -16.846 11.375 1.00 53.21 H new ATOM 0 HZ1 LYS A 76 -5.348 -18.614 12.108 1.00 55.14 H new ATOM 0 HZ2 LYS A 76 -6.031 -19.013 10.606 1.00 55.14 H new ATOM 0 HZ3 LYS A 76 -4.420 -18.483 10.692 1.00 55.14 H new ATOM 1227 N SER A 77 -6.055 -12.376 5.578 1.00 22.14 N ATOM 1228 CA SER A 77 -5.443 -11.730 4.424 1.00 14.42 C ATOM 1229 C SER A 77 -5.259 -10.236 4.672 1.00 43.22 C ATOM 1230 O SER A 77 -4.214 -9.666 4.354 1.00 44.22 O ATOM 1231 CB SER A 77 -6.300 -11.949 3.176 1.00 15.42 C ATOM 1232 OG SER A 77 -5.731 -12.935 2.332 1.00 3.13 O ATOM 0 H SER A 77 -6.965 -12.797 5.392 1.00 22.14 H new ATOM 0 HA SER A 77 -4.462 -12.178 4.266 1.00 14.42 H new ATOM 0 HB2 SER A 77 -7.305 -12.253 3.470 1.00 15.42 H new ATOM 0 HB3 SER A 77 -6.398 -11.011 2.630 1.00 15.42 H new ATOM 0 HG SER A 77 -6.299 -13.057 1.543 1.00 3.13 H new ATOM 1238 N LEU A 78 -6.280 -9.606 5.242 1.00 73.34 N ATOM 1239 CA LEU A 78 -6.233 -8.178 5.534 1.00 70.22 C ATOM 1240 C LEU A 78 -5.138 -7.866 6.548 1.00 24.32 C ATOM 1241 O LEU A 78 -4.381 -6.908 6.385 1.00 10.14 O ATOM 1242 CB LEU A 78 -7.586 -7.701 6.063 1.00 2.12 C ATOM 1243 CG LEU A 78 -7.724 -6.195 6.290 1.00 50.14 C ATOM 1244 CD1 LEU A 78 -7.405 -5.432 5.014 1.00 12.23 C ATOM 1245 CD2 LEU A 78 -9.124 -5.855 6.781 1.00 71.33 C ATOM 0 H LEU A 78 -7.152 -10.062 5.511 1.00 73.34 H new ATOM 0 HA LEU A 78 -6.006 -7.650 4.608 1.00 70.22 H new ATOM 0 HB2 LEU A 78 -8.359 -8.015 5.362 1.00 2.12 H new ATOM 0 HB3 LEU A 78 -7.785 -8.210 7.006 1.00 2.12 H new ATOM 0 HG LEU A 78 -7.009 -5.896 7.057 1.00 50.14 H new ATOM 0 HD11 LEU A 78 -7.508 -4.362 5.194 1.00 12.23 H new ATOM 0 HD12 LEU A 78 -6.383 -5.651 4.705 1.00 12.23 H new ATOM 0 HD13 LEU A 78 -8.095 -5.735 4.226 1.00 12.23 H new ATOM 0 HD21 LEU A 78 -9.204 -4.779 6.937 1.00 71.33 H new ATOM 0 HD22 LEU A 78 -9.857 -6.169 6.037 1.00 71.33 H new ATOM 0 HD23 LEU A 78 -9.316 -6.373 7.721 1.00 71.33 H new ATOM 1257 N PHE A 79 -5.057 -8.682 7.594 1.00 21.32 N ATOM 1258 CA PHE A 79 -4.053 -8.494 8.634 1.00 3.55 C ATOM 1259 C PHE A 79 -2.644 -8.622 8.062 1.00 74.05 C ATOM 1260 O PHE A 79 -1.711 -7.971 8.528 1.00 32.03 O ATOM 1261 CB PHE A 79 -4.253 -9.514 9.757 1.00 0.23 C ATOM 1262 CG PHE A 79 -3.357 -9.287 10.941 1.00 60.11 C ATOM 1263 CD1 PHE A 79 -3.164 -8.012 11.446 1.00 20.14 C ATOM 1264 CD2 PHE A 79 -2.706 -10.350 11.547 1.00 52.30 C ATOM 1265 CE1 PHE A 79 -2.339 -7.799 12.536 1.00 70.34 C ATOM 1266 CE2 PHE A 79 -1.881 -10.144 12.636 1.00 31.15 C ATOM 1267 CZ PHE A 79 -1.697 -8.867 13.131 1.00 44.04 C ATOM 0 H PHE A 79 -5.675 -9.480 7.744 1.00 21.32 H new ATOM 0 HA PHE A 79 -4.172 -7.489 9.039 1.00 3.55 H new ATOM 0 HB2 PHE A 79 -5.292 -9.481 10.086 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -4.075 -10.515 9.364 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -3.664 -7.174 10.983 1.00 20.14 H new ATOM 0 HD2 PHE A 79 -2.845 -11.350 11.164 1.00 52.30 H new ATOM 0 HE1 PHE A 79 -2.197 -6.800 12.921 1.00 70.34 H new ATOM 0 HE2 PHE A 79 -1.380 -10.981 13.100 1.00 31.15 H new ATOM 0 HZ PHE A 79 -1.052 -8.705 13.982 1.00 44.04 H new ATOM 1277 N ASN A 80 -2.500 -9.468 7.046 1.00 10.32 N ATOM 1278 CA ASN A 80 -1.206 -9.684 6.408 1.00 5.14 C ATOM 1279 C ASN A 80 -0.870 -8.538 5.458 1.00 33.34 C ATOM 1280 O ASN A 80 0.287 -8.346 5.083 1.00 64.52 O ATOM 1281 CB ASN A 80 -1.204 -11.011 5.647 1.00 12.31 C ATOM 1282 CG ASN A 80 -1.197 -12.210 6.576 1.00 11.24 C ATOM 1283 OD1 ASN A 80 -2.086 -13.059 6.517 1.00 31.14 O ATOM 1284 ND2 ASN A 80 -0.191 -12.282 7.440 1.00 70.50 N ATOM 0 H ASN A 80 -3.263 -10.015 6.647 1.00 10.32 H new ATOM 0 HA ASN A 80 -0.446 -9.720 7.188 1.00 5.14 H new ATOM 0 HB2 ASN A 80 -2.082 -11.059 5.003 1.00 12.31 H new ATOM 0 HB3 ASN A 80 -0.330 -11.053 4.997 1.00 12.31 H new ATOM 0 HD21 ASN A 80 -0.133 -13.065 8.091 1.00 70.50 H new ATOM 0 HD22 ASN A 80 0.524 -11.554 7.452 1.00 70.50 H new ATOM 1291 N THR A 81 -1.890 -7.778 5.072 1.00 52.22 N ATOM 1292 CA THR A 81 -1.704 -6.653 4.166 1.00 41.25 C ATOM 1293 C THR A 81 -1.388 -5.374 4.933 1.00 61.43 C ATOM 1294 O THR A 81 -0.595 -4.547 4.483 1.00 62.21 O ATOM 1295 CB THR A 81 -2.954 -6.420 3.295 1.00 13.42 C ATOM 1296 OG1 THR A 81 -3.374 -7.652 2.700 1.00 3.00 O ATOM 1297 CG2 THR A 81 -2.672 -5.395 2.207 1.00 14.03 C ATOM 0 H THR A 81 -2.854 -7.922 5.373 1.00 52.22 H new ATOM 0 HA THR A 81 -0.862 -6.904 3.521 1.00 41.25 H new ATOM 0 HB THR A 81 -3.749 -6.038 3.935 1.00 13.42 H new ATOM 0 HG1 THR A 81 -3.690 -8.262 3.399 1.00 3.00 H new ATOM 0 HG21 THR A 81 -3.569 -5.247 1.605 1.00 14.03 H new ATOM 0 HG22 THR A 81 -2.382 -4.449 2.665 1.00 14.03 H new ATOM 0 HG23 THR A 81 -1.863 -5.753 1.571 1.00 14.03 H new ATOM 1305 N VAL A 82 -2.013 -5.218 6.096 1.00 52.41 N ATOM 1306 CA VAL A 82 -1.796 -4.040 6.928 1.00 55.15 C ATOM 1307 C VAL A 82 -0.403 -4.054 7.547 1.00 35.44 C ATOM 1308 O VAL A 82 0.176 -3.002 7.821 1.00 44.04 O ATOM 1309 CB VAL A 82 -2.845 -3.946 8.052 1.00 52.32 C ATOM 1310 CG1 VAL A 82 -2.572 -2.740 8.937 1.00 31.33 C ATOM 1311 CG2 VAL A 82 -4.248 -3.881 7.465 1.00 31.04 C ATOM 0 H VAL A 82 -2.673 -5.892 6.483 1.00 52.41 H new ATOM 0 HA VAL A 82 -1.893 -3.171 6.278 1.00 55.15 H new ATOM 0 HB VAL A 82 -2.774 -4.842 8.669 1.00 52.32 H new ATOM 0 HG11 VAL A 82 -3.323 -2.690 9.725 1.00 31.33 H new ATOM 0 HG12 VAL A 82 -1.582 -2.833 9.384 1.00 31.33 H new ATOM 0 HG13 VAL A 82 -2.615 -1.831 8.337 1.00 31.33 H new ATOM 0 HG21 VAL A 82 -4.977 -3.815 8.272 1.00 31.04 H new ATOM 0 HG22 VAL A 82 -4.334 -3.003 6.825 1.00 31.04 H new ATOM 0 HG23 VAL A 82 -4.438 -4.779 6.877 1.00 31.04 H new ATOM 1321 N CYS A 83 0.128 -5.251 7.768 1.00 54.24 N ATOM 1322 CA CYS A 83 1.454 -5.402 8.357 1.00 21.31 C ATOM 1323 C CYS A 83 2.537 -4.950 7.382 1.00 54.11 C ATOM 1324 O CYS A 83 3.650 -4.616 7.786 1.00 10.31 O ATOM 1325 CB CYS A 83 1.692 -6.858 8.762 1.00 51.42 C ATOM 1326 SG CYS A 83 2.234 -7.923 7.404 1.00 11.14 S ATOM 0 H CYS A 83 -0.339 -6.131 7.548 1.00 54.24 H new ATOM 0 HA CYS A 83 1.504 -4.772 9.245 1.00 21.31 H new ATOM 0 HB2 CYS A 83 2.442 -6.886 9.553 1.00 51.42 H new ATOM 0 HB3 CYS A 83 0.771 -7.263 9.181 1.00 51.42 H new ATOM 0 HG CYS A 83 1.294 -7.997 6.509 1.00 11.14 H new ATOM 1332 N VAL A 84 2.202 -4.942 6.096 1.00 72.23 N ATOM 1333 CA VAL A 84 3.145 -4.532 5.062 1.00 22.05 C ATOM 1334 C VAL A 84 3.128 -3.019 4.874 1.00 40.35 C ATOM 1335 O VAL A 84 4.166 -2.402 4.632 1.00 32.01 O ATOM 1336 CB VAL A 84 2.833 -5.210 3.716 1.00 23.41 C ATOM 1337 CG1 VAL A 84 3.764 -4.694 2.629 1.00 11.12 C ATOM 1338 CG2 VAL A 84 2.939 -6.723 3.845 1.00 44.40 C ATOM 0 H VAL A 84 1.284 -5.215 5.745 1.00 72.23 H new ATOM 0 HA VAL A 84 4.135 -4.843 5.394 1.00 22.05 H new ATOM 0 HB VAL A 84 1.810 -4.962 3.433 1.00 23.41 H new ATOM 0 HG11 VAL A 84 3.528 -5.185 1.685 1.00 11.12 H new ATOM 0 HG12 VAL A 84 3.635 -3.617 2.520 1.00 11.12 H new ATOM 0 HG13 VAL A 84 4.797 -4.910 2.902 1.00 11.12 H new ATOM 0 HG21 VAL A 84 2.715 -7.187 2.884 1.00 44.40 H new ATOM 0 HG22 VAL A 84 3.950 -6.992 4.151 1.00 44.40 H new ATOM 0 HG23 VAL A 84 2.228 -7.075 4.592 1.00 44.40 H new ATOM 1348 N ILE A 85 1.943 -2.429 4.984 1.00 42.54 N ATOM 1349 CA ILE A 85 1.791 -0.987 4.826 1.00 30.04 C ATOM 1350 C ILE A 85 2.520 -0.233 5.933 1.00 14.23 C ATOM 1351 O ILE A 85 3.278 0.700 5.668 1.00 51.12 O ATOM 1352 CB ILE A 85 0.307 -0.574 4.829 1.00 72.10 C ATOM 1353 CG1 ILE A 85 -0.454 -1.315 3.728 1.00 4.23 C ATOM 1354 CG2 ILE A 85 0.176 0.931 4.650 1.00 2.53 C ATOM 1355 CD1 ILE A 85 -0.046 -0.905 2.331 1.00 42.23 C ATOM 0 H ILE A 85 1.075 -2.926 5.182 1.00 42.54 H new ATOM 0 HA ILE A 85 2.230 -0.727 3.863 1.00 30.04 H new ATOM 0 HB ILE A 85 -0.128 -0.845 5.791 1.00 72.10 H new ATOM 0 HG12 ILE A 85 -0.294 -2.387 3.845 1.00 4.23 H new ATOM 0 HG13 ILE A 85 -1.522 -1.137 3.853 1.00 4.23 H new ATOM 0 HG21 ILE A 85 -0.878 1.207 4.654 1.00 2.53 H new ATOM 0 HG22 ILE A 85 0.688 1.440 5.466 1.00 2.53 H new ATOM 0 HG23 ILE A 85 0.624 1.225 3.701 1.00 2.53 H new ATOM 0 HD11 ILE A 85 -0.626 -1.471 1.602 1.00 42.23 H new ATOM 0 HD12 ILE A 85 -0.232 0.160 2.195 1.00 42.23 H new ATOM 0 HD13 ILE A 85 1.015 -1.109 2.187 1.00 42.23 H new ATOM 1367 N TRP A 86 2.286 -0.644 7.174 1.00 34.11 N ATOM 1368 CA TRP A 86 2.922 -0.008 8.322 1.00 33.31 C ATOM 1369 C TRP A 86 4.434 0.056 8.141 1.00 72.33 C ATOM 1370 O TRP A 86 5.051 1.100 8.357 1.00 62.33 O ATOM 1371 CB TRP A 86 2.581 -0.768 9.605 1.00 11.21 C ATOM 1372 CG TRP A 86 3.138 -0.127 10.841 1.00 23.42 C ATOM 1373 CD1 TRP A 86 2.533 0.819 11.617 1.00 13.54 C ATOM 1374 CD2 TRP A 86 4.412 -0.387 11.440 1.00 44.31 C ATOM 1375 NE1 TRP A 86 3.355 1.164 12.663 1.00 12.23 N ATOM 1376 CE2 TRP A 86 4.513 0.439 12.577 1.00 70.10 C ATOM 1377 CE3 TRP A 86 5.477 -1.236 11.128 1.00 24.11 C ATOM 1378 CZ2 TRP A 86 5.637 0.438 13.400 1.00 32.10 C ATOM 1379 CZ3 TRP A 86 6.591 -1.235 11.945 1.00 2.41 C ATOM 1380 CH2 TRP A 86 6.664 -0.404 13.070 1.00 1.42 C ATOM 0 H TRP A 86 1.661 -1.414 7.411 1.00 34.11 H new ATOM 0 HA TRP A 86 2.541 1.010 8.399 1.00 33.31 H new ATOM 0 HB2 TRP A 86 1.497 -0.841 9.699 1.00 11.21 H new ATOM 0 HB3 TRP A 86 2.963 -1.786 9.528 1.00 11.21 H new ATOM 0 HD1 TRP A 86 1.553 1.235 11.436 1.00 13.54 H new ATOM 0 HE1 TRP A 86 3.137 1.849 13.386 1.00 12.23 H new ATOM 0 HE3 TRP A 86 5.430 -1.882 10.263 1.00 24.11 H new ATOM 0 HZ2 TRP A 86 5.696 1.079 14.267 1.00 32.10 H new ATOM 0 HZ3 TRP A 86 7.420 -1.887 11.712 1.00 2.41 H new ATOM 0 HH2 TRP A 86 7.548 -0.428 13.689 1.00 1.42 H new ATOM 1391 N CYS A 87 5.025 -1.066 7.745 1.00 63.13 N ATOM 1392 CA CYS A 87 6.467 -1.137 7.535 1.00 43.21 C ATOM 1393 C CYS A 87 6.939 -0.012 6.618 1.00 20.35 C ATOM 1394 O CYS A 87 7.838 0.753 6.971 1.00 21.34 O ATOM 1395 CB CYS A 87 6.851 -2.492 6.938 1.00 12.11 C ATOM 1396 SG CYS A 87 7.478 -3.680 8.148 1.00 2.40 S ATOM 0 H CYS A 87 4.529 -1.938 7.563 1.00 63.13 H new ATOM 0 HA CYS A 87 6.956 -1.023 8.502 1.00 43.21 H new ATOM 0 HB2 CYS A 87 5.979 -2.919 6.443 1.00 12.11 H new ATOM 0 HB3 CYS A 87 7.609 -2.337 6.170 1.00 12.11 H new ATOM 0 HG CYS A 87 7.773 -4.795 7.549 1.00 2.40 H new ATOM 1402 N ILE A 88 6.330 0.080 5.442 1.00 54.01 N ATOM 1403 CA ILE A 88 6.688 1.111 4.475 1.00 60.23 C ATOM 1404 C ILE A 88 6.783 2.480 5.140 1.00 33.40 C ATOM 1405 O ILE A 88 7.612 3.308 4.766 1.00 44.24 O ATOM 1406 CB ILE A 88 5.669 1.181 3.323 1.00 24.03 C ATOM 1407 CG1 ILE A 88 5.586 -0.167 2.604 1.00 53.22 C ATOM 1408 CG2 ILE A 88 6.047 2.286 2.348 1.00 64.11 C ATOM 1409 CD1 ILE A 88 4.280 -0.380 1.871 1.00 70.55 C ATOM 0 H ILE A 88 5.586 -0.547 5.135 1.00 54.01 H new ATOM 0 HA ILE A 88 7.663 0.839 4.070 1.00 60.23 H new ATOM 0 HB ILE A 88 4.688 1.410 3.739 1.00 24.03 H new ATOM 0 HG12 ILE A 88 6.409 -0.242 1.893 1.00 53.22 H new ATOM 0 HG13 ILE A 88 5.720 -0.967 3.332 1.00 53.22 H new ATOM 0 HG21 ILE A 88 5.317 2.323 1.539 1.00 64.11 H new ATOM 0 HG22 ILE A 88 6.059 3.243 2.870 1.00 64.11 H new ATOM 0 HG23 ILE A 88 7.036 2.085 1.936 1.00 64.11 H new ATOM 0 HD11 ILE A 88 4.291 -1.355 1.385 1.00 70.55 H new ATOM 0 HD12 ILE A 88 3.453 -0.337 2.580 1.00 70.55 H new ATOM 0 HD13 ILE A 88 4.154 0.399 1.119 1.00 70.55 H new ATOM 1421 N HIS A 89 5.927 2.710 6.132 1.00 72.35 N ATOM 1422 CA HIS A 89 5.914 3.978 6.853 1.00 22.21 C ATOM 1423 C HIS A 89 6.973 3.987 7.952 1.00 51.33 C ATOM 1424 O HIS A 89 7.512 5.064 8.209 1.00 32.01 O ATOM 1425 CB HIS A 89 4.534 4.232 7.457 1.00 13.05 C ATOM 1426 CG HIS A 89 3.457 4.424 6.433 1.00 60.42 C ATOM 1427 ND1 HIS A 89 3.644 5.141 5.270 1.00 34.21 N ATOM 1428 CD2 HIS A 89 2.177 3.985 6.401 1.00 62.12 C ATOM 1429 CE1 HIS A 89 2.525 5.136 4.568 1.00 32.33 C ATOM 1430 NE2 HIS A 89 1.620 4.441 5.233 1.00 75.04 N ATOM 0 H HIS A 89 5.234 2.035 6.454 1.00 72.35 H new ATOM 0 HA HIS A 89 6.143 4.774 6.144 1.00 22.21 H new ATOM 0 HB2 HIS A 89 4.268 3.393 8.099 1.00 13.05 H new ATOM 0 HB3 HIS A 89 4.582 5.117 8.092 1.00 13.05 H new ATOM 0 HD2 HIS A 89 1.686 3.387 7.154 1.00 62.12 H new ATOM 0 HE1 HIS A 89 2.376 5.618 3.613 1.00 32.33 H new ATOM 0 HE2 HIS A 89 0.662 4.271 4.928 1.00 75.04 H new ATOM 1438 N ALA A 90 7.275 2.858 8.585 1.00 54.42 N ATOM 1439 CA ALA A 90 8.279 2.819 9.639 1.00 63.42 C ATOM 1440 C ALA A 90 9.677 2.629 9.059 1.00 11.52 C ATOM 1441 O ALA A 90 10.603 2.233 9.765 1.00 70.12 O ATOM 1442 CB ALA A 90 7.962 1.707 10.628 1.00 31.34 C ATOM 0 H ALA A 90 6.838 1.958 8.385 1.00 54.42 H new ATOM 0 HA ALA A 90 8.257 3.775 10.163 1.00 63.42 H new ATOM 0 HB1 ALA A 90 8.720 1.689 11.411 1.00 31.34 H new ATOM 0 HB2 ALA A 90 6.984 1.885 11.075 1.00 31.34 H new ATOM 0 HB3 ALA A 90 7.954 0.749 10.108 1.00 31.34 H new ATOM 1448 N GLU A 91 9.821 2.916 7.769 1.00 51.41 N ATOM 1449 CA GLU A 91 11.106 2.776 7.094 1.00 20.03 C ATOM 1450 C GLU A 91 11.626 1.346 7.206 1.00 20.52 C ATOM 1451 O GLU A 91 12.750 1.117 7.653 1.00 33.51 O ATOM 1452 CB GLU A 91 12.127 3.749 7.687 1.00 31.02 C ATOM 1453 CG GLU A 91 13.245 4.119 6.727 1.00 61.31 C ATOM 1454 CD GLU A 91 13.338 5.613 6.486 1.00 11.15 C ATOM 1455 OE1 GLU A 91 12.364 6.191 5.961 1.00 52.12 O ATOM 1456 OE2 GLU A 91 14.385 6.204 6.825 1.00 73.25 O ATOM 0 H GLU A 91 9.064 3.247 7.171 1.00 51.41 H new ATOM 0 HA GLU A 91 10.961 3.010 6.039 1.00 20.03 H new ATOM 0 HB2 GLU A 91 11.612 4.658 7.999 1.00 31.02 H new ATOM 0 HB3 GLU A 91 12.561 3.305 8.583 1.00 31.02 H new ATOM 0 HG2 GLU A 91 14.194 3.759 7.125 1.00 61.31 H new ATOM 0 HG3 GLU A 91 13.085 3.611 5.776 1.00 61.31 H new ATOM 1463 N GLU A 92 10.799 0.388 6.797 1.00 10.23 N ATOM 1464 CA GLU A 92 11.175 -1.019 6.854 1.00 64.04 C ATOM 1465 C GLU A 92 11.073 -1.665 5.474 1.00 44.54 C ATOM 1466 O GLU A 92 10.047 -1.562 4.802 1.00 72.32 O ATOM 1467 CB GLU A 92 10.285 -1.769 7.846 1.00 14.45 C ATOM 1468 CG GLU A 92 10.783 -1.704 9.280 1.00 3.34 C ATOM 1469 CD GLU A 92 11.735 -2.835 9.619 1.00 12.23 C ATOM 1470 OE1 GLU A 92 12.408 -3.341 8.697 1.00 20.03 O ATOM 1471 OE2 GLU A 92 11.805 -3.214 10.807 1.00 30.21 O ATOM 0 H GLU A 92 9.866 0.561 6.423 1.00 10.23 H new ATOM 0 HA GLU A 92 12.210 -1.078 7.190 1.00 64.04 H new ATOM 0 HB2 GLU A 92 9.277 -1.356 7.801 1.00 14.45 H new ATOM 0 HB3 GLU A 92 10.215 -2.813 7.541 1.00 14.45 H new ATOM 0 HG2 GLU A 92 11.285 -0.750 9.443 1.00 3.34 H new ATOM 0 HG3 GLU A 92 9.931 -1.736 9.959 1.00 3.34 H new ATOM 1478 N LYS A 93 12.146 -2.329 5.058 1.00 21.02 N ATOM 1479 CA LYS A 93 12.179 -2.993 3.760 1.00 3.12 C ATOM 1480 C LYS A 93 12.046 -4.504 3.917 1.00 13.25 C ATOM 1481 O LYS A 93 12.792 -5.127 4.673 1.00 35.33 O ATOM 1482 CB LYS A 93 13.481 -2.659 3.026 1.00 15.04 C ATOM 1483 CG LYS A 93 13.774 -1.170 2.956 1.00 24.51 C ATOM 1484 CD LYS A 93 15.191 -0.903 2.477 1.00 4.13 C ATOM 1485 CE LYS A 93 16.030 -0.241 3.560 1.00 32.41 C ATOM 1486 NZ LYS A 93 15.536 1.125 3.886 1.00 11.25 N ATOM 0 H LYS A 93 13.005 -2.422 5.601 1.00 21.02 H new ATOM 0 HA LYS A 93 11.334 -2.631 3.174 1.00 3.12 H new ATOM 0 HB2 LYS A 93 14.309 -3.161 3.526 1.00 15.04 H new ATOM 0 HB3 LYS A 93 13.431 -3.059 2.013 1.00 15.04 H new ATOM 0 HG2 LYS A 93 13.065 -0.690 2.282 1.00 24.51 H new ATOM 0 HG3 LYS A 93 13.631 -0.723 3.940 1.00 24.51 H new ATOM 0 HD2 LYS A 93 15.657 -1.841 2.176 1.00 4.13 H new ATOM 0 HD3 LYS A 93 15.164 -0.264 1.595 1.00 4.13 H new ATOM 0 HE2 LYS A 93 16.014 -0.857 4.459 1.00 32.41 H new ATOM 0 HE3 LYS A 93 17.068 -0.183 3.231 1.00 32.41 H new ATOM 0 HZ1 LYS A 93 16.297 1.671 4.337 1.00 11.25 H new ATOM 0 HZ2 LYS A 93 15.237 1.604 3.012 1.00 11.25 H new ATOM 0 HZ3 LYS A 93 14.727 1.056 4.536 1.00 11.25 H new ATOM 1500 N VAL A 94 11.092 -5.087 3.198 1.00 21.45 N ATOM 1501 CA VAL A 94 10.863 -6.526 3.256 1.00 34.22 C ATOM 1502 C VAL A 94 10.896 -7.145 1.864 1.00 42.11 C ATOM 1503 O VAL A 94 10.332 -6.598 0.915 1.00 20.34 O ATOM 1504 CB VAL A 94 9.511 -6.853 3.919 1.00 3.24 C ATOM 1505 CG1 VAL A 94 9.520 -6.436 5.382 1.00 31.24 C ATOM 1506 CG2 VAL A 94 8.373 -6.176 3.170 1.00 44.03 C ATOM 0 H VAL A 94 10.465 -4.585 2.569 1.00 21.45 H new ATOM 0 HA VAL A 94 11.667 -6.950 3.858 1.00 34.22 H new ATOM 0 HB VAL A 94 9.354 -7.931 3.874 1.00 3.24 H new ATOM 0 HG11 VAL A 94 8.557 -6.674 5.834 1.00 31.24 H new ATOM 0 HG12 VAL A 94 10.311 -6.971 5.908 1.00 31.24 H new ATOM 0 HG13 VAL A 94 9.699 -5.363 5.453 1.00 31.24 H new ATOM 0 HG21 VAL A 94 7.426 -6.418 3.652 1.00 44.03 H new ATOM 0 HG22 VAL A 94 8.521 -5.096 3.182 1.00 44.03 H new ATOM 0 HG23 VAL A 94 8.356 -6.528 2.139 1.00 44.03 H new ATOM 1516 N LYS A 95 11.561 -8.289 1.746 1.00 51.21 N ATOM 1517 CA LYS A 95 11.667 -8.986 0.470 1.00 41.34 C ATOM 1518 C LYS A 95 10.331 -9.605 0.075 1.00 33.52 C ATOM 1519 O LYS A 95 9.859 -9.425 -1.048 1.00 51.20 O ATOM 1520 CB LYS A 95 12.742 -10.071 0.546 1.00 64.21 C ATOM 1521 CG LYS A 95 14.044 -9.596 1.168 1.00 33.35 C ATOM 1522 CD LYS A 95 15.250 -10.204 0.473 1.00 63.44 C ATOM 1523 CE LYS A 95 16.535 -9.923 1.237 1.00 63.42 C ATOM 1524 NZ LYS A 95 17.668 -9.612 0.321 1.00 31.34 N ATOM 0 H LYS A 95 12.035 -8.754 2.520 1.00 51.21 H new ATOM 0 HA LYS A 95 11.948 -8.258 -0.291 1.00 41.34 H new ATOM 0 HB2 LYS A 95 12.358 -10.911 1.125 1.00 64.21 H new ATOM 0 HB3 LYS A 95 12.943 -10.442 -0.459 1.00 64.21 H new ATOM 0 HG2 LYS A 95 14.100 -8.509 1.111 1.00 33.35 H new ATOM 0 HG3 LYS A 95 14.061 -9.861 2.225 1.00 33.35 H new ATOM 0 HD2 LYS A 95 15.111 -11.281 0.377 1.00 63.44 H new ATOM 0 HD3 LYS A 95 15.330 -9.801 -0.537 1.00 63.44 H new ATOM 0 HE2 LYS A 95 16.378 -9.086 1.917 1.00 63.42 H new ATOM 0 HE3 LYS A 95 16.790 -10.788 1.850 1.00 63.42 H new ATOM 0 HZ1 LYS A 95 18.525 -9.426 0.880 1.00 31.34 H new ATOM 0 HZ2 LYS A 95 17.835 -10.421 -0.311 1.00 31.34 H new ATOM 0 HZ3 LYS A 95 17.436 -8.772 -0.246 1.00 31.34 H new ATOM 1538 N ASP A 96 9.724 -10.335 1.005 1.00 24.54 N ATOM 1539 CA ASP A 96 8.441 -10.980 0.754 1.00 31.25 C ATOM 1540 C ASP A 96 7.460 -10.695 1.888 1.00 21.43 C ATOM 1541 O ASP A 96 7.863 -10.419 3.019 1.00 62.32 O ATOM 1542 CB ASP A 96 8.627 -12.489 0.592 1.00 71.40 C ATOM 1543 CG ASP A 96 9.440 -13.097 1.717 1.00 21.34 C ATOM 1544 OD1 ASP A 96 8.881 -13.284 2.820 1.00 61.44 O ATOM 1545 OD2 ASP A 96 10.634 -13.387 1.497 1.00 63.22 O ATOM 0 H ASP A 96 10.100 -10.495 1.940 1.00 24.54 H new ATOM 0 HA ASP A 96 8.031 -10.572 -0.170 1.00 31.25 H new ATOM 0 HB2 ASP A 96 7.650 -12.970 0.553 1.00 71.40 H new ATOM 0 HB3 ASP A 96 9.120 -12.691 -0.359 1.00 71.40 H new ATOM 1550 N THR A 97 6.169 -10.763 1.578 1.00 73.31 N ATOM 1551 CA THR A 97 5.131 -10.510 2.569 1.00 75.44 C ATOM 1552 C THR A 97 5.403 -11.278 3.858 1.00 72.10 C ATOM 1553 O THR A 97 5.440 -10.694 4.941 1.00 62.32 O ATOM 1554 CB THR A 97 3.739 -10.901 2.036 1.00 31.42 C ATOM 1555 OG1 THR A 97 3.384 -10.064 0.931 1.00 63.15 O ATOM 1556 CG2 THR A 97 2.688 -10.780 3.129 1.00 20.20 C ATOM 0 H THR A 97 5.818 -10.991 0.648 1.00 73.31 H new ATOM 0 HA THR A 97 5.146 -9.440 2.777 1.00 75.44 H new ATOM 0 HB THR A 97 3.779 -11.939 1.706 1.00 31.42 H new ATOM 0 HG1 THR A 97 2.978 -9.237 1.264 1.00 63.15 H new ATOM 0 HG21 THR A 97 1.714 -11.061 2.729 1.00 20.20 H new ATOM 0 HG22 THR A 97 2.946 -11.441 3.956 1.00 20.20 H new ATOM 0 HG23 THR A 97 2.651 -9.751 3.486 1.00 20.20 H new ATOM 1564 N GLU A 98 5.592 -12.588 3.733 1.00 42.22 N ATOM 1565 CA GLU A 98 5.861 -13.434 4.890 1.00 12.51 C ATOM 1566 C GLU A 98 6.988 -12.853 5.738 1.00 21.12 C ATOM 1567 O GLU A 98 7.014 -13.022 6.957 1.00 71.13 O ATOM 1568 CB GLU A 98 6.222 -14.851 4.441 1.00 43.22 C ATOM 1569 CG GLU A 98 5.147 -15.880 4.745 1.00 53.43 C ATOM 1570 CD GLU A 98 5.713 -17.160 5.326 1.00 14.14 C ATOM 1571 OE1 GLU A 98 6.234 -17.986 4.548 1.00 43.14 O ATOM 1572 OE2 GLU A 98 5.635 -17.338 6.560 1.00 73.21 O ATOM 0 H GLU A 98 5.564 -13.086 2.843 1.00 42.22 H new ATOM 0 HA GLU A 98 4.957 -13.474 5.497 1.00 12.51 H new ATOM 0 HB2 GLU A 98 6.414 -14.845 3.368 1.00 43.22 H new ATOM 0 HB3 GLU A 98 7.149 -15.152 4.929 1.00 43.22 H new ATOM 0 HG2 GLU A 98 4.429 -15.454 5.446 1.00 53.43 H new ATOM 0 HG3 GLU A 98 4.601 -16.111 3.830 1.00 53.43 H new ATOM 1579 N GLY A 99 7.921 -12.167 5.083 1.00 34.43 N ATOM 1580 CA GLY A 99 9.040 -11.574 5.792 1.00 13.44 C ATOM 1581 C GLY A 99 8.636 -10.349 6.590 1.00 71.14 C ATOM 1582 O GLY A 99 9.187 -10.086 7.657 1.00 0.22 O ATOM 0 H GLY A 99 7.921 -12.012 4.075 1.00 34.43 H new ATOM 0 HA2 GLY A 99 9.474 -12.315 6.464 1.00 13.44 H new ATOM 0 HA3 GLY A 99 9.815 -11.299 5.077 1.00 13.44 H new ATOM 1586 N ALA A 100 7.671 -9.597 6.069 1.00 72.32 N ATOM 1587 CA ALA A 100 7.194 -8.395 6.739 1.00 4.33 C ATOM 1588 C ALA A 100 6.405 -8.743 7.997 1.00 52.34 C ATOM 1589 O ALA A 100 6.382 -7.977 8.961 1.00 51.24 O ATOM 1590 CB ALA A 100 6.341 -7.565 5.791 1.00 14.13 C ATOM 0 H ALA A 100 7.205 -9.800 5.185 1.00 72.32 H new ATOM 0 HA ALA A 100 8.062 -7.807 7.038 1.00 4.33 H new ATOM 0 HB1 ALA A 100 5.991 -6.670 6.305 1.00 14.13 H new ATOM 0 HB2 ALA A 100 6.936 -7.277 4.924 1.00 14.13 H new ATOM 0 HB3 ALA A 100 5.484 -8.153 5.463 1.00 14.13 H new ATOM 1596 N LYS A 101 5.759 -9.903 7.981 1.00 32.23 N ATOM 1597 CA LYS A 101 4.968 -10.355 9.121 1.00 75.43 C ATOM 1598 C LYS A 101 5.867 -10.708 10.301 1.00 70.32 C ATOM 1599 O LYS A 101 5.499 -10.499 11.456 1.00 32.23 O ATOM 1600 CB LYS A 101 4.121 -11.569 8.730 1.00 12.35 C ATOM 1601 CG LYS A 101 2.688 -11.497 9.231 1.00 64.01 C ATOM 1602 CD LYS A 101 2.536 -12.175 10.582 1.00 32.34 C ATOM 1603 CE LYS A 101 1.849 -13.527 10.452 1.00 24.02 C ATOM 1604 NZ LYS A 101 2.766 -14.563 9.901 1.00 24.14 N ATOM 0 H LYS A 101 5.767 -10.548 7.191 1.00 32.23 H new ATOM 0 HA LYS A 101 4.309 -9.540 9.420 1.00 75.43 H new ATOM 0 HB2 LYS A 101 4.113 -11.662 7.644 1.00 12.35 H new ATOM 0 HB3 LYS A 101 4.590 -12.471 9.124 1.00 12.35 H new ATOM 0 HG2 LYS A 101 2.381 -10.454 9.309 1.00 64.01 H new ATOM 0 HG3 LYS A 101 2.024 -11.971 8.508 1.00 64.01 H new ATOM 0 HD2 LYS A 101 3.518 -12.307 11.037 1.00 32.34 H new ATOM 0 HD3 LYS A 101 1.959 -11.535 11.249 1.00 32.34 H new ATOM 0 HE2 LYS A 101 1.486 -13.846 11.429 1.00 24.02 H new ATOM 0 HE3 LYS A 101 0.978 -13.431 9.804 1.00 24.02 H new ATOM 0 HZ1 LYS A 101 2.262 -15.469 9.828 1.00 24.14 H new ATOM 0 HZ2 LYS A 101 3.093 -14.271 8.958 1.00 24.14 H new ATOM 0 HZ3 LYS A 101 3.585 -14.673 10.532 1.00 24.14 H new ATOM 1618 N GLN A 102 7.047 -11.242 10.001 1.00 3.42 N ATOM 1619 CA GLN A 102 7.999 -11.622 11.039 1.00 51.54 C ATOM 1620 C GLN A 102 8.586 -10.389 11.717 1.00 14.52 C ATOM 1621 O GLN A 102 8.930 -10.424 12.899 1.00 61.12 O ATOM 1622 CB GLN A 102 9.121 -12.474 10.444 1.00 21.45 C ATOM 1623 CG GLN A 102 9.921 -13.240 11.485 1.00 12.44 C ATOM 1624 CD GLN A 102 9.080 -14.251 12.239 1.00 73.30 C ATOM 1625 OE1 GLN A 102 8.507 -13.944 13.285 1.00 52.10 O ATOM 1626 NE2 GLN A 102 9.000 -15.467 11.712 1.00 64.55 N ATOM 0 H GLN A 102 7.366 -11.421 9.049 1.00 3.42 H new ATOM 0 HA GLN A 102 7.466 -12.207 11.789 1.00 51.54 H new ATOM 0 HB2 GLN A 102 8.691 -13.182 9.735 1.00 21.45 H new ATOM 0 HB3 GLN A 102 9.796 -11.829 9.881 1.00 21.45 H new ATOM 0 HG2 GLN A 102 10.748 -13.754 10.996 1.00 12.44 H new ATOM 0 HG3 GLN A 102 10.357 -12.536 12.193 1.00 12.44 H new ATOM 0 HE21 GLN A 102 9.491 -15.680 10.843 1.00 64.55 H new ATOM 0 HE22 GLN A 102 8.448 -16.189 12.176 1.00 64.55 H new ATOM 1635 N ILE A 103 8.697 -9.300 10.963 1.00 71.43 N ATOM 1636 CA ILE A 103 9.241 -8.057 11.493 1.00 44.14 C ATOM 1637 C ILE A 103 8.211 -7.324 12.344 1.00 33.12 C ATOM 1638 O ILE A 103 8.527 -6.817 13.421 1.00 73.02 O ATOM 1639 CB ILE A 103 9.715 -7.123 10.362 1.00 14.24 C ATOM 1640 CG1 ILE A 103 10.791 -7.811 9.520 1.00 10.11 C ATOM 1641 CG2 ILE A 103 10.239 -5.817 10.939 1.00 23.11 C ATOM 1642 CD1 ILE A 103 11.310 -6.954 8.387 1.00 44.33 C ATOM 0 H ILE A 103 8.417 -9.254 9.983 1.00 71.43 H new ATOM 0 HA ILE A 103 10.095 -8.326 12.114 1.00 44.14 H new ATOM 0 HB ILE A 103 8.866 -6.897 9.717 1.00 14.24 H new ATOM 0 HG12 ILE A 103 11.624 -8.089 10.166 1.00 10.11 H new ATOM 0 HG13 ILE A 103 10.384 -8.735 9.109 1.00 10.11 H new ATOM 0 HG21 ILE A 103 10.570 -5.168 10.128 1.00 23.11 H new ATOM 0 HG22 ILE A 103 9.445 -5.322 11.499 1.00 23.11 H new ATOM 0 HG23 ILE A 103 11.078 -6.024 11.604 1.00 23.11 H new ATOM 0 HD11 ILE A 103 12.070 -7.505 7.833 1.00 44.33 H new ATOM 0 HD12 ILE A 103 10.488 -6.697 7.719 1.00 44.33 H new ATOM 0 HD13 ILE A 103 11.747 -6.041 8.792 1.00 44.33 H new ATOM 1654 N VAL A 104 6.976 -7.273 11.856 1.00 54.25 N ATOM 1655 CA VAL A 104 5.897 -6.604 12.573 1.00 30.32 C ATOM 1656 C VAL A 104 5.542 -7.352 13.852 1.00 32.25 C ATOM 1657 O VAL A 104 5.392 -6.750 14.916 1.00 70.02 O ATOM 1658 CB VAL A 104 4.635 -6.478 11.699 1.00 45.21 C ATOM 1659 CG1 VAL A 104 3.482 -5.900 12.505 1.00 13.11 C ATOM 1660 CG2 VAL A 104 4.921 -5.622 10.473 1.00 20.44 C ATOM 0 H VAL A 104 6.698 -7.687 10.966 1.00 54.25 H new ATOM 0 HA VAL A 104 6.256 -5.606 12.826 1.00 30.32 H new ATOM 0 HB VAL A 104 4.347 -7.473 11.361 1.00 45.21 H new ATOM 0 HG11 VAL A 104 2.599 -5.819 11.871 1.00 13.11 H new ATOM 0 HG12 VAL A 104 3.263 -6.555 13.348 1.00 13.11 H new ATOM 0 HG13 VAL A 104 3.756 -4.912 12.874 1.00 13.11 H new ATOM 0 HG21 VAL A 104 4.019 -5.543 9.866 1.00 20.44 H new ATOM 0 HG22 VAL A 104 5.234 -4.627 10.789 1.00 20.44 H new ATOM 0 HG23 VAL A 104 5.715 -6.082 9.885 1.00 20.44 H new ATOM 1670 N ARG A 105 5.408 -8.670 13.744 1.00 50.03 N ATOM 1671 CA ARG A 105 5.070 -9.502 14.892 1.00 11.02 C ATOM 1672 C ARG A 105 6.065 -9.289 16.030 1.00 74.01 C ATOM 1673 O ARG A 105 5.678 -8.965 17.153 1.00 13.11 O ATOM 1674 CB ARG A 105 5.046 -10.978 14.491 1.00 3.22 C ATOM 1675 CG ARG A 105 4.459 -11.890 15.556 1.00 53.32 C ATOM 1676 CD ARG A 105 3.947 -13.190 14.955 1.00 25.34 C ATOM 1677 NE ARG A 105 3.494 -14.125 15.981 1.00 74.41 N ATOM 1678 CZ ARG A 105 2.337 -14.008 16.624 1.00 45.12 C ATOM 1679 NH1 ARG A 105 1.522 -13.000 16.347 1.00 14.35 N ATOM 1680 NH2 ARG A 105 1.995 -14.899 17.545 1.00 62.40 N ATOM 0 H ARG A 105 5.529 -9.185 12.872 1.00 50.03 H new ATOM 0 HA ARG A 105 4.079 -9.211 15.240 1.00 11.02 H new ATOM 0 HB2 ARG A 105 4.468 -11.087 13.573 1.00 3.22 H new ATOM 0 HB3 ARG A 105 6.063 -11.302 14.268 1.00 3.22 H new ATOM 0 HG2 ARG A 105 5.218 -12.109 16.307 1.00 53.32 H new ATOM 0 HG3 ARG A 105 3.643 -11.378 16.066 1.00 53.32 H new ATOM 0 HD2 ARG A 105 3.125 -12.975 14.272 1.00 25.34 H new ATOM 0 HD3 ARG A 105 4.738 -13.654 14.366 1.00 25.34 H new ATOM 0 HE ARG A 105 4.099 -14.911 16.217 1.00 74.41 H new ATOM 0 HH11 ARG A 105 1.783 -12.313 15.640 1.00 14.35 H new ATOM 0 HH12 ARG A 105 0.634 -12.911 16.841 1.00 14.35 H new ATOM 0 HH21 ARG A 105 2.620 -15.675 17.761 1.00 62.40 H new ATOM 0 HH22 ARG A 105 1.107 -14.808 18.038 1.00 62.40 H new ATOM 1694 N ARG A 106 7.346 -9.474 15.731 1.00 50.33 N ATOM 1695 CA ARG A 106 8.396 -9.302 16.728 1.00 34.32 C ATOM 1696 C ARG A 106 8.314 -7.923 17.374 1.00 54.14 C ATOM 1697 O ARG A 106 8.337 -7.796 18.598 1.00 71.11 O ATOM 1698 CB ARG A 106 9.772 -9.498 16.089 1.00 50.10 C ATOM 1699 CG ARG A 106 10.850 -9.907 17.080 1.00 72.01 C ATOM 1700 CD ARG A 106 11.793 -8.754 17.385 1.00 73.22 C ATOM 1701 NE ARG A 106 12.752 -8.531 16.305 1.00 1.34 N ATOM 1702 CZ ARG A 106 13.899 -7.880 16.465 1.00 15.03 C ATOM 1703 NH1 ARG A 106 14.229 -7.391 17.652 1.00 15.40 N ATOM 1704 NH2 ARG A 106 14.720 -7.717 15.435 1.00 73.33 N ATOM 0 H ARG A 106 7.682 -9.743 14.806 1.00 50.33 H new ATOM 0 HA ARG A 106 8.252 -10.055 17.503 1.00 34.32 H new ATOM 0 HB2 ARG A 106 9.697 -10.258 15.312 1.00 50.10 H new ATOM 0 HB3 ARG A 106 10.072 -8.571 15.600 1.00 50.10 H new ATOM 0 HG2 ARG A 106 10.385 -10.252 18.003 1.00 72.01 H new ATOM 0 HG3 ARG A 106 11.417 -10.746 16.676 1.00 72.01 H new ATOM 0 HD2 ARG A 106 11.214 -7.845 17.549 1.00 73.22 H new ATOM 0 HD3 ARG A 106 12.331 -8.960 18.310 1.00 73.22 H new ATOM 0 HE ARG A 106 12.529 -8.895 15.379 1.00 1.34 H new ATOM 0 HH11 ARG A 106 13.601 -7.514 18.447 1.00 15.40 H new ATOM 0 HH12 ARG A 106 15.111 -6.892 17.771 1.00 15.40 H new ATOM 0 HH21 ARG A 106 14.471 -8.092 14.520 1.00 73.33 H new ATOM 0 HH22 ARG A 106 15.600 -7.217 15.559 1.00 73.33 H new ATOM 1718 N HIS A 107 8.218 -6.890 16.540 1.00 31.25 N ATOM 1719 CA HIS A 107 8.132 -5.519 17.029 1.00 4.14 C ATOM 1720 C HIS A 107 6.964 -5.359 17.998 1.00 71.31 C ATOM 1721 O HIS A 107 7.068 -4.502 18.876 1.00 51.43 O ATOM 1722 CB HIS A 107 7.976 -4.546 15.860 1.00 73.11 C ATOM 1723 CG HIS A 107 9.218 -4.395 15.036 1.00 60.14 C ATOM 1724 ND1 HIS A 107 10.483 -4.618 15.535 1.00 23.12 N ATOM 1725 CD2 HIS A 107 9.383 -4.042 13.740 1.00 71.35 C ATOM 1726 CE1 HIS A 107 11.373 -4.408 14.582 1.00 4.00 C ATOM 1727 NE2 HIS A 107 10.732 -4.058 13.482 1.00 14.10 N ATOM 0 H HIS A 107 8.198 -6.978 15.524 1.00 31.25 H new ATOM 0 HA HIS A 107 9.056 -5.292 17.560 1.00 4.14 H new ATOM 0 HB2 HIS A 107 7.164 -4.889 15.219 1.00 73.11 H new ATOM 0 HB3 HIS A 107 7.686 -3.569 16.247 1.00 73.11 H new ATOM 0 HD2 HIS A 107 8.600 -3.794 13.039 1.00 71.35 H new ATOM 0 HE1 HIS A 107 12.444 -4.506 14.685 1.00 4.00 H new ATOM 0 HE2 HIS A 107 11.167 -3.836 12.587 1.00 14.10 H new ATOM 1735 N LEU A 108 5.893 -6.134 17.868 1.00 32.22 N ATOM 1736 CA LEU A 108 4.751 -6.020 18.769 1.00 14.32 C ATOM 1737 C LEU A 108 5.062 -6.647 20.125 1.00 72.55 C ATOM 1738 O LEU A 108 4.842 -6.035 21.169 1.00 11.31 O ATOM 1739 CB LEU A 108 3.522 -6.690 18.154 1.00 55.52 C ATOM 1740 CG LEU A 108 2.907 -5.985 16.944 1.00 3.22 C ATOM 1741 CD1 LEU A 108 2.131 -6.973 16.088 1.00 44.23 C ATOM 1742 CD2 LEU A 108 2.007 -4.842 17.393 1.00 61.35 C ATOM 0 H LEU A 108 5.791 -6.848 17.147 1.00 32.22 H new ATOM 0 HA LEU A 108 4.542 -4.961 18.919 1.00 14.32 H new ATOM 0 HB2 LEU A 108 3.795 -7.703 17.859 1.00 55.52 H new ATOM 0 HB3 LEU A 108 2.757 -6.778 18.925 1.00 55.52 H new ATOM 0 HG LEU A 108 3.714 -5.569 16.341 1.00 3.22 H new ATOM 0 HD11 LEU A 108 1.701 -6.453 15.232 1.00 44.23 H new ATOM 0 HD12 LEU A 108 2.803 -7.756 15.737 1.00 44.23 H new ATOM 0 HD13 LEU A 108 1.332 -7.419 16.681 1.00 44.23 H new ATOM 0 HD21 LEU A 108 1.578 -4.352 16.519 1.00 61.35 H new ATOM 0 HD22 LEU A 108 1.205 -5.234 18.019 1.00 61.35 H new ATOM 0 HD23 LEU A 108 2.592 -4.120 17.963 1.00 61.35 H new