USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 801 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 15 SER OG : rot 80:sc= -1.73! USER MOD Set 1.2: A 63 LYS NZ :NH3+ 172:sc= 0.0257 (180deg=-0.569) USER MOD Single : A 9 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.023) USER MOD Single : A 13 TYR OH : rot -50:sc= 0.533 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 33 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 41 ASN : amide:sc= -0.917 K(o=-0.92,f=-1.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -50:sc= 1.02 USER MOD Single : A 94 SER OG : rot 180:sc= 0.11 USER MOD Single : A 99 HIS : no HD1:sc= -0.535 X(o=-0.53,f=-0.77) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 109 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-0.558) USER MOD Single : A 112 ASN : amide:sc= -0.928 X(o=-0.93,f=-0.85) USER MOD Single : A 124 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.4) USER MOD Single : A 125 GLN : amide:sc= -4.95 K(o=-5,f=-6.1!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.797 K(o=-0.8,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.742 1.384 -3.234 1.00 22.41 N ATOM 95 CA HIS A 9 -15.826 1.691 -4.160 1.00 40.14 C ATOM 96 C HIS A 9 -16.993 2.350 -3.432 1.00 0.44 C ATOM 97 O HIS A 9 -17.127 2.225 -2.214 1.00 31.34 O ATOM 98 CB HIS A 9 -16.301 0.419 -4.863 1.00 13.31 C ATOM 99 CG HIS A 9 -15.593 0.148 -6.155 1.00 14.24 C ATOM 100 ND1 HIS A 9 -15.193 -1.113 -6.544 1.00 60.14 N ATOM 101 CD2 HIS A 9 -15.212 0.984 -7.149 1.00 65.44 C ATOM 102 CE1 HIS A 9 -14.598 -1.041 -7.721 1.00 42.51 C ATOM 103 NE2 HIS A 9 -14.596 0.221 -8.110 1.00 14.34 N ATOM 0 HA HIS A 9 -15.446 2.389 -4.906 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -16.158 -0.430 -4.195 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -17.371 0.498 -5.054 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -15.364 2.053 -7.180 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -14.184 -1.873 -8.272 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -14.201 0.572 -8.983 1.00 14.34 H new ATOM 111 N ILE A 10 -17.834 3.052 -4.184 1.00 62.41 N ATOM 112 CA ILE A 10 -18.989 3.730 -3.609 1.00 5.23 C ATOM 113 C ILE A 10 -20.290 3.190 -4.194 1.00 41.15 C ATOM 114 O ILE A 10 -20.546 3.320 -5.390 1.00 13.04 O ATOM 115 CB ILE A 10 -18.926 5.250 -3.847 1.00 51.44 C ATOM 116 CG1 ILE A 10 -17.737 5.856 -3.097 1.00 72.52 C ATOM 117 CG2 ILE A 10 -20.226 5.909 -3.411 1.00 54.40 C ATOM 118 CD1 ILE A 10 -17.874 5.784 -1.591 1.00 33.02 C ATOM 0 H ILE A 10 -17.737 3.166 -5.193 1.00 62.41 H new ATOM 0 HA ILE A 10 -18.966 3.537 -2.536 1.00 5.23 H new ATOM 0 HB ILE A 10 -18.790 5.431 -4.913 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -16.826 5.338 -3.396 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -17.623 6.898 -3.394 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -20.166 6.983 -3.586 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -21.055 5.494 -3.985 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.390 5.723 -2.350 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -16.997 6.231 -1.124 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -18.767 6.327 -1.280 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -17.958 4.742 -1.283 1.00 33.02 H new ATOM 130 N GLU A 11 -21.109 2.584 -3.340 1.00 14.33 N ATOM 131 CA GLU A 11 -22.386 2.025 -3.772 1.00 21.25 C ATOM 132 C GLU A 11 -23.424 3.126 -3.965 1.00 42.40 C ATOM 133 O GLU A 11 -23.306 4.211 -3.397 1.00 51.11 O ATOM 134 CB GLU A 11 -22.892 1.005 -2.750 1.00 50.43 C ATOM 135 CG GLU A 11 -22.834 -0.431 -3.244 1.00 44.11 C ATOM 136 CD GLU A 11 -23.887 -0.731 -4.293 1.00 11.42 C ATOM 137 OE1 GLU A 11 -23.984 0.040 -5.272 1.00 55.02 O ATOM 138 OE2 GLU A 11 -24.614 -1.734 -4.136 1.00 31.51 O1- ATOM 0 H GLU A 11 -20.912 2.467 -2.346 1.00 14.33 H new ATOM 0 HA GLU A 11 -22.231 1.525 -4.728 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -22.300 1.091 -1.839 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -23.921 1.248 -2.485 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -21.846 -0.628 -3.660 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -22.965 -1.107 -2.399 1.00 44.11 H new ATOM 145 N GLU A 12 -24.441 2.837 -4.772 1.00 22.22 N ATOM 146 CA GLU A 12 -25.499 3.804 -5.042 1.00 35.34 C ATOM 147 C GLU A 12 -26.856 3.112 -5.136 1.00 30.44 C ATOM 148 O GLU A 12 -27.117 2.356 -6.072 1.00 41.32 O ATOM 149 CB GLU A 12 -25.210 4.561 -6.339 1.00 64.20 C ATOM 150 CG GLU A 12 -24.801 3.659 -7.492 1.00 75.35 C ATOM 151 CD GLU A 12 -24.453 4.438 -8.746 1.00 25.02 C ATOM 152 OE1 GLU A 12 -23.635 5.377 -8.655 1.00 51.50 O ATOM 153 OE2 GLU A 12 -25.000 4.107 -9.820 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.554 1.943 -5.249 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.528 4.513 -4.215 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -26.098 5.124 -6.627 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -24.417 5.287 -6.157 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -23.942 3.058 -7.192 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -25.613 2.966 -7.713 1.00 75.35 H new ATOM 160 N TYR A 13 -27.716 3.375 -4.157 1.00 22.50 N ATOM 161 CA TYR A 13 -29.045 2.777 -4.127 1.00 61.54 C ATOM 162 C TYR A 13 -30.124 3.833 -4.342 1.00 2.15 C ATOM 163 O TYR A 13 -29.979 4.979 -3.918 1.00 12.31 O ATOM 164 CB TYR A 13 -29.274 2.062 -2.794 1.00 3.33 C ATOM 165 CG TYR A 13 -28.546 0.741 -2.682 1.00 52.40 C ATOM 166 CD1 TYR A 13 -27.188 0.697 -2.387 1.00 2.40 C ATOM 167 CD2 TYR A 13 -29.214 -0.462 -2.872 1.00 44.14 C ATOM 168 CE1 TYR A 13 -26.518 -0.506 -2.284 1.00 40.42 C ATOM 169 CE2 TYR A 13 -28.553 -1.670 -2.769 1.00 2.10 C ATOM 170 CZ TYR A 13 -27.205 -1.688 -2.475 1.00 52.02 C ATOM 171 OH TYR A 13 -26.542 -2.889 -2.374 1.00 41.41 O ATOM 0 H TYR A 13 -27.516 3.998 -3.375 1.00 22.50 H new ATOM 0 HA TYR A 13 -29.107 2.051 -4.938 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -28.953 2.714 -1.982 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -30.342 1.891 -2.662 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -26.648 1.620 -2.236 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -30.269 -0.452 -3.104 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -25.463 -0.522 -2.055 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -29.088 -2.596 -2.918 1.00 2.10 H new ATOM 0 HH TYR A 13 -25.727 -2.859 -2.917 1.00 41.41 H new ATOM 181 N GLU A 14 -31.206 3.438 -5.005 1.00 51.13 N ATOM 182 CA GLU A 14 -32.310 4.351 -5.277 1.00 44.05 C ATOM 183 C GLU A 14 -33.593 3.869 -4.606 1.00 34.43 C ATOM 184 O GLU A 14 -33.805 2.668 -4.439 1.00 43.23 O ATOM 185 CB GLU A 14 -32.530 4.484 -6.785 1.00 41.01 C ATOM 186 CG GLU A 14 -32.846 5.903 -7.231 1.00 63.43 C ATOM 187 CD GLU A 14 -32.607 6.116 -8.713 1.00 53.14 C ATOM 188 OE1 GLU A 14 -33.093 5.292 -9.517 1.00 2.11 O ATOM 189 OE2 GLU A 14 -31.936 7.106 -9.069 1.00 40.11 O1- ATOM 0 H GLU A 14 -31.342 2.493 -5.363 1.00 51.13 H new ATOM 0 HA GLU A 14 -32.050 5.327 -4.867 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.637 4.139 -7.306 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -33.347 3.828 -7.084 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -33.887 6.130 -6.998 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -32.233 6.603 -6.664 1.00 63.43 H new ATOM 196 N SER A 15 -34.445 4.815 -4.223 1.00 45.22 N ATOM 197 CA SER A 15 -35.705 4.488 -3.566 1.00 21.12 C ATOM 198 C SER A 15 -36.675 5.664 -3.634 1.00 40.40 C ATOM 199 O SER A 15 -36.495 6.670 -2.949 1.00 61.11 O ATOM 200 CB SER A 15 -35.459 4.100 -2.107 1.00 50.55 C ATOM 201 OG SER A 15 -36.466 3.224 -1.634 1.00 60.35 O ATOM 0 H SER A 15 -34.286 5.814 -4.356 1.00 45.22 H new ATOM 0 HA SER A 15 -36.149 3.642 -4.090 1.00 21.12 H new ATOM 0 HB2 SER A 15 -34.484 3.621 -2.015 1.00 50.55 H new ATOM 0 HB3 SER A 15 -35.434 4.997 -1.489 1.00 50.55 H new ATOM 0 HG SER A 15 -36.278 2.313 -1.943 1.00 60.35 H new ATOM 207 N GLU A 16 -37.702 5.528 -4.467 1.00 11.34 N ATOM 208 CA GLU A 16 -38.700 6.580 -4.626 1.00 40.23 C ATOM 209 C GLU A 16 -40.112 6.010 -4.519 1.00 3.23 C ATOM 210 O GLU A 16 -40.413 4.960 -5.083 1.00 64.35 O ATOM 211 CB GLU A 16 -38.521 7.283 -5.973 1.00 4.30 C ATOM 212 CG GLU A 16 -39.034 6.475 -7.154 1.00 43.20 C ATOM 213 CD GLU A 16 -38.393 6.886 -8.465 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.713 7.934 -8.488 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.570 6.163 -9.467 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.865 4.701 -5.041 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.559 7.305 -3.825 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -39.041 8.241 -5.945 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.463 7.499 -6.123 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -38.842 5.417 -6.976 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -40.115 6.595 -7.229 1.00 43.20 H new ATOM 222 N ALA A 17 -40.973 6.714 -3.790 1.00 45.31 N ATOM 223 CA ALA A 17 -42.353 6.280 -3.611 1.00 31.31 C ATOM 224 C ALA A 17 -43.155 6.452 -4.897 1.00 53.14 C ATOM 225 O ALA A 17 -43.635 7.544 -5.198 1.00 52.54 O ATOM 226 CB ALA A 17 -43.005 7.053 -2.473 1.00 33.40 C ATOM 0 H ALA A 17 -40.739 7.586 -3.315 1.00 45.31 H new ATOM 0 HA ALA A 17 -42.345 5.220 -3.359 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -44.035 6.719 -2.350 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -42.453 6.876 -1.550 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.994 8.118 -2.703 1.00 33.40 H new ATOM 232 N ARG A 18 -43.293 5.366 -5.651 1.00 33.11 N ATOM 233 CA ARG A 18 -44.036 5.397 -6.906 1.00 74.51 C ATOM 234 C ARG A 18 -45.533 5.252 -6.655 1.00 1.22 C ATOM 235 O ARG A 18 -45.961 4.426 -5.849 1.00 0.43 O ATOM 236 CB ARG A 18 -43.552 4.283 -7.836 1.00 24.01 C ATOM 237 CG ARG A 18 -42.096 4.420 -8.245 1.00 71.34 C ATOM 238 CD ARG A 18 -41.938 5.331 -9.452 1.00 21.32 C ATOM 239 NE ARG A 18 -42.511 4.742 -10.660 1.00 34.15 N ATOM 240 CZ ARG A 18 -41.949 3.740 -11.327 1.00 3.12 C ATOM 241 NH1 ARG A 18 -40.806 3.218 -10.906 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -42.531 3.258 -12.418 1.00 33.24 N ATOM 0 H ARG A 18 -42.901 4.455 -5.415 1.00 33.11 H new ATOM 0 HA ARG A 18 -43.858 6.361 -7.382 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -43.693 3.322 -7.341 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -44.173 4.274 -8.732 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -41.519 4.817 -7.410 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.688 3.436 -8.475 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -42.421 6.287 -9.250 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -40.880 5.536 -9.615 1.00 21.32 H new ATOM 0 HE ARG A 18 -43.391 5.121 -11.010 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -40.356 3.586 -10.068 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -40.377 2.449 -11.420 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -43.411 3.657 -12.745 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -42.098 2.489 -12.929 1.00 33.24 H new ATOM 256 N ASP A 19 -46.325 6.061 -7.351 1.00 32.20 N ATOM 257 CA ASP A 19 -47.775 6.023 -7.204 1.00 41.34 C ATOM 258 C ASP A 19 -48.332 4.676 -7.655 1.00 44.41 C ATOM 259 O ASP A 19 -47.858 4.090 -8.629 1.00 5.35 O ATOM 260 CB ASP A 19 -48.421 7.151 -8.012 1.00 22.55 C ATOM 261 CG ASP A 19 -49.846 6.831 -8.417 1.00 73.34 C ATOM 262 OD1 ASP A 19 -50.031 6.058 -9.379 1.00 3.01 O ATOM 263 OD2 ASP A 19 -50.778 7.355 -7.770 1.00 24.34 O1- ATOM 0 H ASP A 19 -45.987 6.751 -8.022 1.00 32.20 H new ATOM 0 HA ASP A 19 -48.012 6.160 -6.149 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -48.411 8.068 -7.422 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -47.826 7.340 -8.906 1.00 22.55 H new ATOM 268 N THR A 20 -49.341 4.188 -6.939 1.00 61.12 N ATOM 269 CA THR A 20 -49.961 2.910 -7.264 1.00 12.12 C ATOM 270 C THR A 20 -51.307 3.110 -7.950 1.00 54.32 C ATOM 271 O THR A 20 -51.868 4.206 -7.934 1.00 54.42 O ATOM 272 CB THR A 20 -50.163 2.049 -6.002 1.00 40.23 C ATOM 273 OG1 THR A 20 -50.715 0.777 -6.362 1.00 70.42 O ATOM 274 CG2 THR A 20 -51.086 2.746 -5.013 1.00 72.02 C ATOM 0 H THR A 20 -49.746 4.659 -6.130 1.00 61.12 H new ATOM 0 HA THR A 20 -49.284 2.393 -7.944 1.00 12.12 H new ATOM 0 HB THR A 20 -49.192 1.904 -5.528 1.00 40.23 H new ATOM 0 HG1 THR A 20 -50.839 0.234 -5.556 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.214 2.119 -4.130 1.00 72.02 H new ATOM 0 HG22 THR A 20 -50.650 3.701 -4.720 1.00 72.02 H new ATOM 0 HG23 THR A 20 -52.056 2.918 -5.479 1.00 72.02 H new ATOM 282 N LYS A 21 -51.820 2.044 -8.555 1.00 3.44 N ATOM 283 CA LYS A 21 -53.102 2.100 -9.247 1.00 22.44 C ATOM 284 C LYS A 21 -54.252 1.796 -8.291 1.00 14.33 C ATOM 285 O LYS A 21 -55.405 1.676 -8.708 1.00 74.45 O ATOM 286 CB LYS A 21 -53.120 1.111 -10.414 1.00 24.43 C ATOM 287 CG LYS A 21 -52.810 -0.319 -10.003 1.00 51.34 C ATOM 288 CD LYS A 21 -54.037 -1.207 -10.105 1.00 33.02 C ATOM 289 CE LYS A 21 -54.092 -2.216 -8.969 1.00 63.52 C ATOM 290 NZ LYS A 21 -53.483 -3.520 -9.353 1.00 64.01 N1+ ATOM 0 H LYS A 21 -51.367 1.130 -8.580 1.00 3.44 H new ATOM 0 HA LYS A 21 -53.232 3.111 -9.634 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -54.101 1.139 -10.889 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -52.394 1.431 -11.162 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -52.018 -0.717 -10.637 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -52.435 -0.331 -8.980 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -54.936 -0.590 -10.089 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -54.028 -1.733 -11.060 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -53.570 -1.814 -8.101 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -55.129 -2.373 -8.673 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -53.541 -4.180 -8.551 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -53.996 -3.917 -10.166 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -52.486 -3.375 -9.611 1.00 64.01 H new ATOM 304 N LEU A 22 -53.930 1.674 -7.008 1.00 11.11 N ATOM 305 CA LEU A 22 -54.936 1.385 -5.992 1.00 62.04 C ATOM 306 C LEU A 22 -55.329 2.652 -5.239 1.00 2.31 C ATOM 307 O LEU A 22 -56.132 2.609 -4.308 1.00 51.15 O ATOM 308 CB LEU A 22 -54.411 0.336 -5.010 1.00 32.22 C ATOM 309 CG LEU A 22 -55.380 -0.789 -4.648 1.00 53.13 C ATOM 310 CD1 LEU A 22 -56.593 -0.234 -3.918 1.00 24.41 C ATOM 311 CD2 LEU A 22 -55.807 -1.548 -5.895 1.00 34.53 C ATOM 0 H LEU A 22 -52.981 1.771 -6.647 1.00 11.11 H new ATOM 0 HA LEU A 22 -55.821 0.993 -6.493 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -53.510 -0.109 -5.433 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -54.115 0.843 -4.092 1.00 32.22 H new ATOM 0 HG LEU A 22 -54.867 -1.484 -3.983 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -57.272 -1.049 -3.668 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -56.271 0.263 -3.003 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -57.107 0.483 -4.559 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -56.497 -2.345 -5.617 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -56.301 -0.865 -6.586 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -54.929 -1.979 -6.377 1.00 34.53 H new ATOM 323 N GLY A 23 -54.757 3.780 -5.649 1.00 52.15 N ATOM 324 CA GLY A 23 -55.061 5.043 -5.005 1.00 43.34 C ATOM 325 C GLY A 23 -54.214 5.283 -3.770 1.00 14.33 C ATOM 326 O GLY A 23 -54.656 5.077 -2.639 1.00 42.31 O ATOM 0 H GLY A 23 -54.088 3.841 -6.417 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.903 5.856 -5.714 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -56.115 5.062 -4.728 1.00 43.34 H new ATOM 330 N PRO A 24 -52.966 5.727 -3.981 1.00 42.45 N ATOM 331 CA PRO A 24 -52.029 6.002 -2.888 1.00 55.11 C ATOM 332 C PRO A 24 -52.432 7.228 -2.074 1.00 31.25 C ATOM 333 O PRO A 24 -53.310 7.989 -2.477 1.00 23.44 O ATOM 334 CB PRO A 24 -50.703 6.253 -3.612 1.00 4.11 C ATOM 335 CG PRO A 24 -51.097 6.715 -4.973 1.00 61.03 C ATOM 336 CD PRO A 24 -52.374 5.993 -5.303 1.00 45.53 C ATOM 0 HA PRO A 24 -51.990 5.184 -2.169 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -50.106 7.005 -3.096 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -50.100 5.346 -3.661 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -51.244 7.795 -4.991 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -50.320 6.487 -5.703 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -53.032 6.602 -5.923 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -52.184 5.070 -5.851 1.00 45.53 H new ATOM 344 N GLU A 25 -51.782 7.412 -0.929 1.00 30.43 N ATOM 345 CA GLU A 25 -52.074 8.545 -0.060 1.00 61.13 C ATOM 346 C GLU A 25 -50.793 9.113 0.543 1.00 2.52 C ATOM 347 O GLU A 25 -50.586 10.326 0.555 1.00 75.32 O ATOM 348 CB GLU A 25 -53.033 8.126 1.056 1.00 32.13 C ATOM 349 CG GLU A 25 -54.500 8.297 0.695 1.00 54.54 C ATOM 350 CD GLU A 25 -55.381 8.498 1.913 1.00 55.02 C ATOM 351 OE1 GLU A 25 -55.246 7.718 2.879 1.00 54.21 O ATOM 352 OE2 GLU A 25 -56.205 9.436 1.899 1.00 12.11 O1- ATOM 0 H GLU A 25 -51.051 6.791 -0.582 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.546 9.320 -0.664 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -52.849 7.082 1.308 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.817 8.713 1.949 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -54.609 9.152 0.028 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -54.840 7.419 0.146 1.00 54.54 H new ATOM 359 N GLU A 26 -49.936 8.227 1.041 1.00 43.40 N ATOM 360 CA GLU A 26 -48.675 8.640 1.647 1.00 42.11 C ATOM 361 C GLU A 26 -47.761 7.440 1.872 1.00 25.51 C ATOM 362 O GLU A 26 -48.229 6.314 2.045 1.00 40.12 O ATOM 363 CB GLU A 26 -48.933 9.357 2.974 1.00 74.23 C ATOM 364 CG GLU A 26 -49.355 8.424 4.097 1.00 70.14 C ATOM 365 CD GLU A 26 -50.351 9.066 5.043 1.00 31.34 C ATOM 366 OE1 GLU A 26 -51.541 9.162 4.675 1.00 24.24 O ATOM 367 OE2 GLU A 26 -49.943 9.471 6.151 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.092 7.219 1.037 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.179 9.328 0.962 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -48.028 9.886 3.273 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -49.708 10.109 2.827 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -49.794 7.522 3.670 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.473 8.114 4.658 1.00 70.14 H new ATOM 374 N ILE A 27 -46.456 7.689 1.870 1.00 34.23 N ATOM 375 CA ILE A 27 -45.476 6.630 2.074 1.00 51.54 C ATOM 376 C ILE A 27 -45.417 6.212 3.540 1.00 3.43 C ATOM 377 O ILE A 27 -45.593 7.034 4.440 1.00 75.14 O ATOM 378 CB ILE A 27 -44.071 7.066 1.620 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.156 5.849 1.476 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.482 8.065 2.605 1.00 22.12 C ATOM 381 CD1 ILE A 27 -41.739 6.201 1.080 1.00 33.44 C ATOM 0 H ILE A 27 -46.053 8.615 1.729 1.00 34.23 H new ATOM 0 HA ILE A 27 -45.797 5.783 1.468 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.154 7.550 0.647 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -43.136 5.306 2.421 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.576 5.175 0.730 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.489 8.364 2.270 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -44.125 8.943 2.661 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.410 7.605 3.590 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.147 5.289 0.997 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.747 6.717 0.120 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.300 6.850 1.838 1.00 33.44 H new ATOM 393 N THR A 28 -45.164 4.928 3.774 1.00 23.51 N ATOM 394 CA THR A 28 -45.081 4.400 5.130 1.00 45.35 C ATOM 395 C THR A 28 -44.153 3.192 5.194 1.00 32.33 C ATOM 396 O THR A 28 -43.580 2.783 4.183 1.00 33.43 O ATOM 397 CB THR A 28 -46.468 3.996 5.662 1.00 53.03 C ATOM 398 OG1 THR A 28 -46.402 3.762 7.074 1.00 4.11 O ATOM 399 CG2 THR A 28 -46.974 2.745 4.960 1.00 21.31 C ATOM 0 H THR A 28 -45.013 4.234 3.042 1.00 23.51 H new ATOM 0 HA THR A 28 -44.679 5.197 5.755 1.00 45.35 H new ATOM 0 HB THR A 28 -47.161 4.812 5.461 1.00 53.03 H new ATOM 0 HG1 THR A 28 -47.288 3.507 7.405 1.00 4.11 H new ATOM 0 HG21 THR A 28 -47.955 2.479 5.353 1.00 21.31 H new ATOM 0 HG22 THR A 28 -47.051 2.934 3.889 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.279 1.924 5.134 1.00 21.31 H new ATOM 407 N ARG A 29 -44.009 2.624 6.386 1.00 14.42 N ATOM 408 CA ARG A 29 -43.150 1.462 6.581 1.00 74.04 C ATOM 409 C ARG A 29 -43.930 0.307 7.203 1.00 61.04 C ATOM 410 O ARG A 29 -44.546 0.459 8.258 1.00 23.41 O ATOM 411 CB ARG A 29 -41.959 1.825 7.469 1.00 13.44 C ATOM 412 CG ARG A 29 -42.212 3.025 8.367 1.00 21.03 C ATOM 413 CD ARG A 29 -43.223 2.702 9.458 1.00 15.43 C ATOM 414 NE ARG A 29 -42.877 1.482 10.180 1.00 11.32 N ATOM 415 CZ ARG A 29 -43.700 0.866 11.020 1.00 74.13 C ATOM 416 NH1 ARG A 29 -44.913 1.354 11.242 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -43.313 -0.242 11.640 1.00 74.03 N ATOM 0 H ARG A 29 -44.476 2.950 7.232 1.00 14.42 H new ATOM 0 HA ARG A 29 -42.783 1.145 5.605 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.704 0.966 8.089 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.095 2.030 6.837 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -41.274 3.345 8.822 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -42.576 3.859 7.767 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -43.278 3.535 10.159 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -44.213 2.592 9.014 1.00 15.43 H new ATOM 0 HE ARG A 29 -41.951 1.080 10.031 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -45.215 2.204 10.767 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -45.544 0.879 11.888 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -42.382 -0.622 11.471 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -43.947 -0.714 12.285 1.00 74.03 H new ATOM 431 N ASP A 30 -43.897 -0.844 6.542 1.00 64.35 N ATOM 432 CA ASP A 30 -44.600 -2.026 7.030 1.00 0.23 C ATOM 433 C ASP A 30 -43.857 -3.300 6.642 1.00 34.02 C ATOM 434 O ASP A 30 -44.160 -3.921 5.624 1.00 14.01 O ATOM 435 CB ASP A 30 -46.026 -2.063 6.476 1.00 31.35 C ATOM 436 CG ASP A 30 -46.723 -3.378 6.760 1.00 31.41 C ATOM 437 OD1 ASP A 30 -47.266 -3.532 7.873 1.00 64.23 O ATOM 438 OD2 ASP A 30 -46.725 -4.254 5.870 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.392 -0.985 5.667 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.642 -1.969 8.118 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.603 -1.248 6.912 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -45.999 -1.895 5.399 1.00 31.35 H new ATOM 443 N ILE A 31 -42.881 -3.681 7.460 1.00 63.23 N ATOM 444 CA ILE A 31 -42.095 -4.881 7.202 1.00 25.31 C ATOM 445 C ILE A 31 -42.407 -5.974 8.218 1.00 64.24 C ATOM 446 O ILE A 31 -41.698 -6.158 9.208 1.00 20.01 O ATOM 447 CB ILE A 31 -40.584 -4.582 7.236 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.306 -3.186 6.675 1.00 24.14 C ATOM 449 CG2 ILE A 31 -39.818 -5.636 6.451 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.829 -2.984 5.269 1.00 71.21 C ATOM 0 H ILE A 31 -42.616 -3.176 8.306 1.00 63.23 H new ATOM 0 HA ILE A 31 -42.368 -5.227 6.205 1.00 25.31 H new ATOM 0 HB ILE A 31 -40.246 -4.611 8.272 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -40.757 -2.443 7.332 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -39.231 -3.008 6.683 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -38.752 -5.411 6.484 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -39.996 -6.618 6.890 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -40.157 -5.636 5.415 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.596 -1.973 4.936 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -40.359 -3.704 4.599 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -41.909 -3.130 5.258 1.00 71.21 H new ATOM 462 N PRO A 32 -43.496 -6.717 7.971 1.00 34.15 N ATOM 463 CA PRO A 32 -43.927 -7.806 8.853 1.00 63.53 C ATOM 464 C PRO A 32 -42.980 -9.000 8.805 1.00 74.13 C ATOM 465 O PRO A 32 -42.271 -9.203 7.821 1.00 52.54 O ATOM 466 CB PRO A 32 -45.300 -8.190 8.295 1.00 61.33 C ATOM 467 CG PRO A 32 -45.257 -7.780 6.864 1.00 72.25 C ATOM 468 CD PRO A 32 -44.389 -6.553 6.812 1.00 11.40 C ATOM 0 HA PRO A 32 -43.946 -7.501 9.899 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -45.482 -9.260 8.395 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -46.101 -7.679 8.829 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -44.846 -8.575 6.242 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -46.258 -7.566 6.489 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -43.829 -6.496 5.878 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -44.979 -5.640 6.886 1.00 11.40 H new ATOM 476 N ASN A 33 -42.974 -9.788 9.876 1.00 71.22 N ATOM 477 CA ASN A 33 -42.113 -10.962 9.955 1.00 2.45 C ATOM 478 C ASN A 33 -40.641 -10.560 9.927 1.00 2.05 C ATOM 479 O ASN A 33 -39.778 -11.349 9.539 1.00 32.14 O ATOM 480 CB ASN A 33 -42.414 -11.920 8.802 1.00 52.30 C ATOM 481 CG ASN A 33 -43.903 -12.088 8.563 1.00 14.10 C ATOM 482 OD1 ASN A 33 -44.658 -12.403 9.482 1.00 31.13 O ATOM 483 ND2 ASN A 33 -44.330 -11.876 7.323 1.00 31.33 N ATOM 0 H ASN A 33 -43.555 -9.635 10.700 1.00 71.22 H new ATOM 0 HA ASN A 33 -42.315 -11.467 10.899 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -41.942 -11.549 7.892 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -41.971 -12.893 9.016 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -45.321 -11.973 7.101 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -43.667 -11.616 6.593 1.00 31.33 H new ATOM 490 N VAL A 34 -40.361 -9.329 10.341 1.00 34.42 N ATOM 491 CA VAL A 34 -38.994 -8.822 10.364 1.00 3.55 C ATOM 492 C VAL A 34 -38.356 -9.026 11.733 1.00 63.25 C ATOM 493 O VAL A 34 -39.048 -9.108 12.747 1.00 72.34 O ATOM 494 CB VAL A 34 -38.944 -7.325 10.005 1.00 61.54 C ATOM 495 CG1 VAL A 34 -39.550 -6.488 11.120 1.00 74.44 C ATOM 496 CG2 VAL A 34 -37.513 -6.893 9.721 1.00 63.24 C ATOM 0 H VAL A 34 -41.063 -8.664 10.665 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.435 -9.386 9.617 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.534 -7.166 9.102 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -39.506 -5.433 10.848 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -40.589 -6.781 11.271 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -38.990 -6.649 12.041 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -37.496 -5.833 9.469 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -36.899 -7.066 10.605 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -37.118 -7.471 8.886 1.00 63.24 H new ATOM 506 N GLY A 35 -37.028 -9.108 11.755 1.00 71.54 N ATOM 507 CA GLY A 35 -36.319 -9.302 13.007 1.00 61.21 C ATOM 508 C GLY A 35 -36.087 -8.002 13.749 1.00 63.23 C ATOM 509 O GLY A 35 -36.159 -6.923 13.161 1.00 50.52 O ATOM 0 H GLY A 35 -36.432 -9.044 10.930 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -36.887 -9.982 13.641 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -35.359 -9.779 12.807 1.00 61.21 H new ATOM 513 N GLU A 36 -35.809 -8.104 15.045 1.00 25.34 N ATOM 514 CA GLU A 36 -35.569 -6.924 15.869 1.00 23.30 C ATOM 515 C GLU A 36 -34.220 -6.294 15.536 1.00 75.14 C ATOM 516 O GLU A 36 -34.018 -5.095 15.730 1.00 34.31 O ATOM 517 CB GLU A 36 -35.620 -7.293 17.353 1.00 11.14 C ATOM 518 CG GLU A 36 -37.030 -7.495 17.883 1.00 41.24 C ATOM 519 CD GLU A 36 -37.051 -8.162 19.244 1.00 1.32 C ATOM 520 OE1 GLU A 36 -35.971 -8.566 19.724 1.00 11.12 O ATOM 521 OE2 GLU A 36 -38.148 -8.281 19.830 1.00 24.50 O1- ATOM 0 H GLU A 36 -35.744 -8.990 15.547 1.00 25.34 H new ATOM 0 HA GLU A 36 -36.353 -6.197 15.656 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -35.047 -8.207 17.511 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -35.133 -6.507 17.931 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -37.532 -6.529 17.948 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -37.596 -8.102 17.176 1.00 41.24 H new ATOM 528 N ASP A 37 -33.300 -7.110 15.035 1.00 22.02 N ATOM 529 CA ASP A 37 -31.969 -6.633 14.674 1.00 32.15 C ATOM 530 C ASP A 37 -32.030 -5.728 13.447 1.00 14.55 C ATOM 531 O ASP A 37 -31.314 -4.733 13.362 1.00 61.42 O ATOM 532 CB ASP A 37 -31.036 -7.814 14.407 1.00 75.52 C ATOM 533 CG ASP A 37 -31.614 -8.792 13.402 1.00 61.23 C ATOM 534 OD1 ASP A 37 -32.501 -9.583 13.785 1.00 2.44 O ATOM 535 OD2 ASP A 37 -31.179 -8.766 12.232 1.00 44.23 O1- ATOM 0 H ASP A 37 -33.451 -8.105 14.869 1.00 22.02 H new ATOM 0 HA ASP A 37 -31.578 -6.054 15.511 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -30.080 -7.442 14.039 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -30.837 -8.335 15.343 1.00 75.52 H new ATOM 540 N ALA A 38 -32.892 -6.083 12.499 1.00 41.12 N ATOM 541 CA ALA A 38 -33.048 -5.303 11.278 1.00 33.22 C ATOM 542 C ALA A 38 -33.669 -3.941 11.571 1.00 61.11 C ATOM 543 O ALA A 38 -33.517 -2.998 10.794 1.00 73.30 O ATOM 544 CB ALA A 38 -33.895 -6.066 10.269 1.00 54.45 C ATOM 0 H ALA A 38 -33.493 -6.906 12.554 1.00 41.12 H new ATOM 0 HA ALA A 38 -32.058 -5.137 10.853 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -34.003 -5.472 9.362 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -33.410 -7.012 10.028 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -34.879 -6.262 10.694 1.00 54.45 H new ATOM 550 N LEU A 39 -34.369 -3.846 12.697 1.00 44.35 N ATOM 551 CA LEU A 39 -35.013 -2.598 13.093 1.00 51.12 C ATOM 552 C LEU A 39 -34.363 -2.024 14.346 1.00 25.44 C ATOM 553 O LEU A 39 -34.920 -1.139 14.997 1.00 75.32 O ATOM 554 CB LEU A 39 -36.505 -2.829 13.338 1.00 75.42 C ATOM 555 CG LEU A 39 -36.859 -3.921 14.347 1.00 63.45 C ATOM 556 CD1 LEU A 39 -36.821 -3.372 15.764 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.228 -4.510 14.038 1.00 33.13 C ATOM 0 H LEU A 39 -34.505 -4.617 13.351 1.00 44.35 H new ATOM 0 HA LEU A 39 -34.890 -1.880 12.282 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -36.946 -1.892 13.678 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -36.975 -3.076 12.386 1.00 75.42 H new ATOM 0 HG LEU A 39 -36.117 -4.716 14.267 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -37.076 -4.164 16.468 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -35.820 -3.000 15.983 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -37.540 -2.558 15.858 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -38.463 -5.286 14.767 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -38.982 -3.724 14.088 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.221 -4.942 13.037 1.00 33.13 H new ATOM 569 N ARG A 40 -33.179 -2.529 14.678 1.00 20.52 N ATOM 570 CA ARG A 40 -32.452 -2.065 15.854 1.00 43.52 C ATOM 571 C ARG A 40 -31.884 -0.668 15.624 1.00 33.33 C ATOM 572 O ARG A 40 -31.697 0.099 16.568 1.00 61.33 O ATOM 573 CB ARG A 40 -31.322 -3.037 16.196 1.00 31.43 C ATOM 574 CG ARG A 40 -30.118 -2.920 15.276 1.00 41.24 C ATOM 575 CD ARG A 40 -29.248 -4.167 15.336 1.00 43.45 C ATOM 576 NE ARG A 40 -28.219 -4.066 16.366 1.00 63.04 N ATOM 577 CZ ARG A 40 -27.583 -5.116 16.877 1.00 32.22 C ATOM 578 NH1 ARG A 40 -27.872 -6.338 16.453 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -26.658 -4.942 17.811 1.00 20.05 N ATOM 0 H ARG A 40 -32.703 -3.260 14.149 1.00 20.52 H new ATOM 0 HA ARG A 40 -33.150 -2.022 16.690 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -31.002 -2.862 17.223 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -31.705 -4.056 16.151 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -30.455 -2.759 14.252 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -29.527 -2.049 15.557 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -29.874 -5.037 15.533 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -28.776 -4.327 14.367 1.00 43.45 H new ATOM 0 HE ARG A 40 -27.974 -3.139 16.713 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -28.583 -6.474 15.734 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -27.384 -7.143 16.846 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -26.434 -4.002 18.138 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -26.171 -5.748 18.202 1.00 20.05 H new ATOM 593 N ASN A 41 -31.611 -0.344 14.365 1.00 55.32 N ATOM 594 CA ASN A 41 -31.064 0.961 14.011 1.00 71.13 C ATOM 595 C ASN A 41 -32.142 1.860 13.417 1.00 35.30 C ATOM 596 O ASN A 41 -32.057 3.086 13.496 1.00 31.23 O ATOM 597 CB ASN A 41 -29.911 0.800 13.018 1.00 34.41 C ATOM 598 CG ASN A 41 -29.107 -0.462 13.262 1.00 10.32 C ATOM 599 OD1 ASN A 41 -29.384 -1.510 12.679 1.00 32.53 O ATOM 600 ND2 ASN A 41 -28.104 -0.366 14.128 1.00 61.32 N ATOM 0 H ASN A 41 -31.760 -0.968 13.572 1.00 55.32 H new ATOM 0 HA ASN A 41 -30.688 1.430 14.921 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.309 0.783 12.003 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -29.252 1.666 13.087 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -27.527 -1.182 14.333 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -27.911 0.524 14.588 1.00 61.32 H new ATOM 607 N LEU A 42 -33.157 1.244 12.822 1.00 5.31 N ATOM 608 CA LEU A 42 -34.254 1.988 12.214 1.00 1.45 C ATOM 609 C LEU A 42 -34.930 2.895 13.238 1.00 41.30 C ATOM 610 O LEU A 42 -35.141 2.502 14.385 1.00 64.12 O ATOM 611 CB LEU A 42 -35.279 1.026 11.612 1.00 35.41 C ATOM 612 CG LEU A 42 -36.041 1.535 10.388 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.285 1.200 9.111 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.443 0.946 10.350 1.00 43.22 C ATOM 0 H LEU A 42 -33.243 0.230 12.748 1.00 5.31 H new ATOM 0 HA LEU A 42 -33.841 2.611 11.420 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -34.765 0.105 11.338 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -36.003 0.769 12.385 1.00 35.41 H new ATOM 0 HG LEU A 42 -36.126 2.619 10.462 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -35.842 1.570 8.250 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.302 1.670 9.136 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.168 0.119 9.030 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -37.971 1.319 9.472 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.380 -0.141 10.300 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -37.985 1.237 11.250 1.00 43.22 H new ATOM 626 N ASP A 43 -35.270 4.107 12.814 1.00 10.14 N ATOM 627 CA ASP A 43 -35.926 5.068 13.693 1.00 31.33 C ATOM 628 C ASP A 43 -37.416 5.166 13.376 1.00 31.33 C ATOM 629 O ASP A 43 -37.945 4.382 12.589 1.00 2.34 O ATOM 630 CB ASP A 43 -35.272 6.443 13.558 1.00 44.20 C ATOM 631 CG ASP A 43 -35.125 7.147 14.893 1.00 54.04 C ATOM 632 OD1 ASP A 43 -35.794 6.730 15.861 1.00 1.31 O ATOM 633 OD2 ASP A 43 -34.342 8.118 14.970 1.00 30.34 O1- ATOM 0 H ASP A 43 -35.102 4.447 11.867 1.00 10.14 H new ATOM 0 HA ASP A 43 -35.814 4.720 14.720 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -34.290 6.332 13.099 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -35.869 7.062 12.888 1.00 44.20 H new ATOM 638 N ASP A 44 -38.084 6.134 13.994 1.00 73.33 N ATOM 639 CA ASP A 44 -39.512 6.334 13.778 1.00 11.43 C ATOM 640 C ASP A 44 -39.787 6.793 12.349 1.00 44.41 C ATOM 641 O ASP A 44 -40.925 6.752 11.882 1.00 0.12 O ATOM 642 CB ASP A 44 -40.060 7.362 14.770 1.00 63.23 C ATOM 643 CG ASP A 44 -40.405 6.745 16.111 1.00 31.34 C ATOM 644 OD1 ASP A 44 -39.561 6.004 16.659 1.00 40.13 O ATOM 645 OD2 ASP A 44 -41.519 7.002 16.614 1.00 13.32 O1- ATOM 0 H ASP A 44 -37.660 6.792 14.648 1.00 73.33 H new ATOM 0 HA ASP A 44 -40.015 5.380 13.938 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -39.323 8.151 14.915 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -40.950 7.830 14.349 1.00 63.23 H new ATOM 650 N ARG A 45 -38.736 7.227 11.661 1.00 71.11 N ATOM 651 CA ARG A 45 -38.865 7.695 10.286 1.00 52.13 C ATOM 652 C ARG A 45 -38.993 6.520 9.321 1.00 35.45 C ATOM 653 O ARG A 45 -39.502 6.667 8.211 1.00 3.22 O ATOM 654 CB ARG A 45 -37.657 8.553 9.902 1.00 65.04 C ATOM 655 CG ARG A 45 -37.749 9.988 10.393 1.00 43.34 C ATOM 656 CD ARG A 45 -37.003 10.941 9.473 1.00 43.42 C ATOM 657 NE ARG A 45 -37.692 11.122 8.198 1.00 64.23 N ATOM 658 CZ ARG A 45 -37.408 12.098 7.342 1.00 23.12 C ATOM 659 NH1 ARG A 45 -36.455 12.974 7.623 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -38.079 12.197 6.201 1.00 3.01 N ATOM 0 H ARG A 45 -37.787 7.264 12.033 1.00 71.11 H new ATOM 0 HA ARG A 45 -39.770 8.299 10.218 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -36.754 8.096 10.307 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -37.554 8.555 8.817 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -38.796 10.286 10.456 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -37.338 10.056 11.400 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -36.891 11.907 9.965 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -35.999 10.558 9.291 1.00 43.42 H new ATOM 0 HE ARG A 45 -38.431 10.464 7.951 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -35.937 12.901 8.498 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -36.239 13.722 6.964 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -38.813 11.524 5.981 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -37.861 12.946 5.544 1.00 3.01 H new ATOM 674 N GLY A 46 -38.528 5.351 9.755 1.00 63.25 N ATOM 675 CA GLY A 46 -38.601 4.168 8.917 1.00 13.20 C ATOM 676 C GLY A 46 -37.344 3.961 8.096 1.00 41.41 C ATOM 677 O GLY A 46 -37.350 3.215 7.116 1.00 11.40 O ATOM 0 H GLY A 46 -38.103 5.203 10.670 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.770 3.292 9.544 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -39.458 4.252 8.249 1.00 13.20 H new ATOM 681 N VAL A 47 -36.263 4.626 8.493 1.00 30.53 N ATOM 682 CA VAL A 47 -34.993 4.511 7.787 1.00 42.32 C ATOM 683 C VAL A 47 -33.839 4.304 8.760 1.00 35.22 C ATOM 684 O VAL A 47 -33.807 4.901 9.837 1.00 74.45 O ATOM 685 CB VAL A 47 -34.712 5.762 6.933 1.00 33.24 C ATOM 686 CG1 VAL A 47 -34.641 7.003 7.810 1.00 62.32 C ATOM 687 CG2 VAL A 47 -33.426 5.587 6.139 1.00 11.24 C ATOM 0 H VAL A 47 -36.242 5.250 9.300 1.00 30.53 H new ATOM 0 HA VAL A 47 -35.072 3.643 7.133 1.00 42.32 H new ATOM 0 HB VAL A 47 -35.533 5.891 6.228 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -34.442 7.876 7.189 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -35.590 7.136 8.330 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -33.840 6.887 8.540 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -33.243 6.480 5.541 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -32.593 5.432 6.825 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -33.519 4.723 5.481 1.00 11.24 H new ATOM 697 N ILE A 48 -32.893 3.454 8.375 1.00 4.11 N ATOM 698 CA ILE A 48 -31.735 3.169 9.214 1.00 23.31 C ATOM 699 C ILE A 48 -30.829 4.389 9.334 1.00 42.35 C ATOM 700 O ILE A 48 -30.570 5.082 8.350 1.00 21.41 O ATOM 701 CB ILE A 48 -30.917 1.987 8.662 1.00 74.51 C ATOM 702 CG1 ILE A 48 -31.760 0.710 8.660 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.650 1.792 9.481 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.122 0.224 10.046 1.00 11.41 C ATOM 0 H ILE A 48 -32.905 2.951 7.488 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.117 2.906 10.200 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.631 2.211 7.634 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.675 0.889 8.096 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.213 -0.076 8.139 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.082 0.953 9.079 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.043 2.696 9.434 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -29.915 1.587 10.518 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -32.719 -0.684 9.969 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.212 0.013 10.607 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -32.696 0.993 10.563 1.00 11.41 H new ATOM 716 N ARG A 49 -30.348 4.646 10.545 1.00 61.21 N ATOM 717 CA ARG A 49 -29.470 5.783 10.794 1.00 55.21 C ATOM 718 C ARG A 49 -28.075 5.525 10.229 1.00 4.43 C ATOM 719 O ARG A 49 -27.716 4.386 9.931 1.00 74.42 O ATOM 720 CB ARG A 49 -29.379 6.066 12.295 1.00 75.12 C ATOM 721 CG ARG A 49 -28.769 7.420 12.622 1.00 63.14 C ATOM 722 CD ARG A 49 -28.914 7.753 14.099 1.00 21.00 C ATOM 723 NE ARG A 49 -28.406 9.086 14.412 1.00 40.53 N ATOM 724 CZ ARG A 49 -28.650 9.715 15.556 1.00 35.01 C ATOM 725 NH1 ARG A 49 -29.390 9.136 16.491 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -28.152 10.927 15.767 1.00 44.41 N ATOM 0 H ARG A 49 -30.551 4.082 11.370 1.00 61.21 H new ATOM 0 HA ARG A 49 -29.893 6.654 10.292 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.378 6.013 12.728 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -28.784 5.285 12.768 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -27.714 7.420 12.349 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -29.253 8.192 12.024 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -29.964 7.689 14.384 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -28.378 7.012 14.692 1.00 21.00 H new ATOM 0 HE ARG A 49 -27.833 9.560 13.714 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -29.774 8.204 16.333 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -29.575 9.622 17.368 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -27.582 11.376 15.050 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -28.340 11.410 16.646 1.00 44.41 H new ATOM 740 N ILE A 50 -27.294 6.591 10.086 1.00 42.34 N ATOM 741 CA ILE A 50 -25.940 6.481 9.558 1.00 64.41 C ATOM 742 C ILE A 50 -25.009 5.819 10.568 1.00 25.51 C ATOM 743 O ILE A 50 -25.167 5.988 11.776 1.00 50.31 O ATOM 744 CB ILE A 50 -25.370 7.860 9.177 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.324 8.585 8.226 1.00 31.11 C ATOM 746 CG2 ILE A 50 -23.995 7.707 8.543 1.00 54.25 C ATOM 747 CD1 ILE A 50 -25.955 10.033 7.988 1.00 54.33 C ATOM 0 H ILE A 50 -27.576 7.541 10.329 1.00 42.34 H new ATOM 0 HA ILE A 50 -26.000 5.863 8.662 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.267 8.458 10.083 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -26.340 8.061 7.271 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -27.334 8.538 8.632 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.605 8.690 8.279 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.319 7.226 9.251 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -24.075 7.095 7.645 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -26.674 10.484 7.304 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -25.967 10.572 8.935 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -24.957 10.087 7.553 1.00 54.33 H new ATOM 759 N GLY A 51 -24.036 5.066 10.064 1.00 2.14 N ATOM 760 CA GLY A 51 -23.092 4.392 10.936 1.00 43.44 C ATOM 761 C GLY A 51 -23.527 2.981 11.280 1.00 53.24 C ATOM 762 O GLY A 51 -22.948 2.343 12.159 1.00 63.33 O ATOM 0 H GLY A 51 -23.885 4.911 9.067 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.115 4.360 10.454 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -22.976 4.967 11.854 1.00 43.44 H new ATOM 766 N ALA A 52 -24.551 2.493 10.587 1.00 53.13 N ATOM 767 CA ALA A 52 -25.062 1.149 10.824 1.00 25.41 C ATOM 768 C ALA A 52 -24.618 0.191 9.724 1.00 3.24 C ATOM 769 O ALA A 52 -24.768 0.481 8.538 1.00 33.21 O ATOM 770 CB ALA A 52 -26.580 1.172 10.927 1.00 4.44 C ATOM 0 H ALA A 52 -25.043 3.009 9.857 1.00 53.13 H new ATOM 0 HA ALA A 52 -24.651 0.792 11.768 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -26.948 0.161 11.104 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -26.879 1.817 11.753 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.002 1.554 9.997 1.00 4.44 H new ATOM 776 N GLU A 53 -24.071 -0.953 10.126 1.00 24.44 N ATOM 777 CA GLU A 53 -23.604 -1.952 9.172 1.00 12.23 C ATOM 778 C GLU A 53 -24.775 -2.566 8.411 1.00 61.23 C ATOM 779 O GLU A 53 -25.802 -2.905 8.999 1.00 62.55 O ATOM 780 CB GLU A 53 -22.817 -3.049 9.893 1.00 5.05 C ATOM 781 CG GLU A 53 -21.727 -2.516 10.806 1.00 63.31 C ATOM 782 CD GLU A 53 -21.125 -3.593 11.688 1.00 65.35 C ATOM 783 OE1 GLU A 53 -21.900 -4.353 12.307 1.00 22.21 O ATOM 784 OE2 GLU A 53 -19.882 -3.676 11.759 1.00 42.20 O1- ATOM 0 H GLU A 53 -23.941 -1.210 11.104 1.00 24.44 H new ATOM 0 HA GLU A 53 -22.949 -1.456 8.456 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -23.508 -3.654 10.481 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -22.367 -3.709 9.151 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -20.940 -2.065 10.201 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -22.139 -1.726 11.434 1.00 63.31 H new ATOM 791 N VAL A 54 -24.613 -2.707 7.099 1.00 22.21 N ATOM 792 CA VAL A 54 -25.655 -3.281 6.257 1.00 62.55 C ATOM 793 C VAL A 54 -25.477 -4.788 6.112 1.00 25.30 C ATOM 794 O VAL A 54 -24.356 -5.297 6.131 1.00 72.42 O ATOM 795 CB VAL A 54 -25.663 -2.639 4.857 1.00 34.21 C ATOM 796 CG1 VAL A 54 -24.504 -3.164 4.022 1.00 11.11 C ATOM 797 CG2 VAL A 54 -26.991 -2.894 4.161 1.00 22.21 C ATOM 0 H VAL A 54 -23.769 -2.431 6.596 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.606 -3.076 6.748 1.00 62.55 H new ATOM 0 HB VAL A 54 -25.540 -1.562 4.970 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -24.526 -2.699 3.036 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -23.562 -2.924 4.515 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -24.593 -4.245 3.915 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -26.979 -2.433 3.173 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -27.148 -3.968 4.058 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -27.800 -2.464 4.752 1.00 22.21 H new ATOM 807 N LYS A 55 -26.590 -5.499 5.967 1.00 32.13 N ATOM 808 CA LYS A 55 -26.558 -6.949 5.816 1.00 11.44 C ATOM 809 C LYS A 55 -27.864 -7.462 5.217 1.00 24.20 C ATOM 810 O LYS A 55 -28.817 -6.704 5.042 1.00 53.12 O ATOM 811 CB LYS A 55 -26.308 -7.617 7.170 1.00 13.34 C ATOM 812 CG LYS A 55 -27.509 -7.579 8.099 1.00 34.42 C ATOM 813 CD LYS A 55 -27.085 -7.553 9.558 1.00 72.33 C ATOM 814 CE LYS A 55 -26.801 -8.952 10.079 1.00 54.12 C ATOM 815 NZ LYS A 55 -26.791 -8.998 11.568 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.526 -5.094 5.951 1.00 32.13 H new ATOM 0 HA LYS A 55 -25.744 -7.202 5.137 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -26.019 -8.655 7.006 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -25.466 -7.126 7.658 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -28.113 -6.699 7.879 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -28.138 -8.450 7.918 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -26.194 -6.934 9.668 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -27.870 -7.092 10.158 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -27.556 -9.641 9.699 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -25.838 -9.293 9.699 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -26.594 -9.969 11.884 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -26.054 -8.360 11.930 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -27.718 -8.697 11.931 1.00 75.44 H new ATOM 829 N ASP A 56 -27.899 -8.753 4.907 1.00 1.11 N ATOM 830 CA ASP A 56 -29.089 -9.369 4.330 1.00 50.12 C ATOM 831 C ASP A 56 -30.300 -9.163 5.236 1.00 51.21 C ATOM 832 O ASP A 56 -30.207 -9.298 6.454 1.00 22.43 O ATOM 833 CB ASP A 56 -28.856 -10.863 4.100 1.00 24.03 C ATOM 834 CG ASP A 56 -29.475 -11.352 2.806 1.00 74.11 C ATOM 835 OD1 ASP A 56 -29.219 -10.732 1.754 1.00 70.55 O ATOM 836 OD2 ASP A 56 -30.218 -12.356 2.845 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.117 -9.394 5.045 1.00 1.11 H new ATOM 0 HA ASP A 56 -29.289 -8.890 3.372 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -27.785 -11.063 4.085 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -29.274 -11.426 4.935 1.00 24.03 H new ATOM 841 N GLY A 57 -31.438 -8.835 4.629 1.00 23.23 N ATOM 842 CA GLY A 57 -32.650 -8.616 5.395 1.00 2.42 C ATOM 843 C GLY A 57 -32.823 -7.166 5.804 1.00 30.44 C ATOM 844 O GLY A 57 -33.875 -6.778 6.311 1.00 50.43 O ATOM 0 H GLY A 57 -31.541 -8.717 3.621 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.511 -8.929 4.804 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -32.631 -9.242 6.287 1.00 2.42 H new ATOM 848 N ASP A 58 -31.786 -6.364 5.585 1.00 1.23 N ATOM 849 CA ASP A 58 -31.827 -4.949 5.936 1.00 24.33 C ATOM 850 C ASP A 58 -31.980 -4.085 4.688 1.00 44.22 C ATOM 851 O ASP A 58 -31.009 -3.834 3.971 1.00 4.32 O ATOM 852 CB ASP A 58 -30.560 -4.552 6.694 1.00 74.23 C ATOM 853 CG ASP A 58 -30.503 -5.156 8.083 1.00 42.34 C ATOM 854 OD1 ASP A 58 -31.295 -6.082 8.361 1.00 52.45 O ATOM 855 OD2 ASP A 58 -29.669 -4.703 8.895 1.00 60.24 O1- ATOM 0 H ASP A 58 -30.907 -6.670 5.166 1.00 1.23 H new ATOM 0 HA ASP A 58 -32.691 -4.784 6.579 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -29.686 -4.871 6.126 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -30.512 -3.466 6.771 1.00 74.23 H new ATOM 860 N LEU A 59 -33.202 -3.633 4.434 1.00 1.10 N ATOM 861 CA LEU A 59 -33.483 -2.797 3.272 1.00 32.31 C ATOM 862 C LEU A 59 -32.993 -1.370 3.496 1.00 22.24 C ATOM 863 O LEU A 59 -32.656 -0.661 2.546 1.00 63.34 O ATOM 864 CB LEU A 59 -34.983 -2.792 2.973 1.00 63.13 C ATOM 865 CG LEU A 59 -35.647 -4.163 2.845 1.00 21.11 C ATOM 866 CD1 LEU A 59 -34.672 -5.176 2.265 1.00 3.32 C ATOM 867 CD2 LEU A 59 -36.166 -4.633 4.196 1.00 13.30 C ATOM 0 H LEU A 59 -34.015 -3.831 5.017 1.00 1.10 H new ATOM 0 HA LEU A 59 -32.950 -3.215 2.418 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.489 -2.238 3.764 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -35.146 -2.244 2.045 1.00 63.13 H new ATOM 0 HG LEU A 59 -36.494 -4.073 2.164 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -35.162 -6.146 2.181 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -34.349 -4.846 1.278 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -33.805 -5.263 2.920 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -36.635 -5.611 4.085 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -35.336 -4.706 4.899 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -36.899 -3.919 4.573 1.00 13.30 H new ATOM 879 N LEU A 60 -32.951 -0.956 4.757 1.00 4.23 N ATOM 880 CA LEU A 60 -32.499 0.386 5.107 1.00 33.23 C ATOM 881 C LEU A 60 -33.457 1.442 4.565 1.00 4.21 C ATOM 882 O LEU A 60 -33.143 2.632 4.552 1.00 64.02 O ATOM 883 CB LEU A 60 -31.091 0.630 4.561 1.00 0.12 C ATOM 884 CG LEU A 60 -30.085 -0.501 4.773 1.00 74.51 C ATOM 885 CD1 LEU A 60 -28.941 -0.392 3.775 1.00 63.21 C ATOM 886 CD2 LEU A 60 -29.553 -0.485 6.198 1.00 1.41 C ATOM 0 H LEU A 60 -33.224 -1.530 5.554 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.479 0.464 6.194 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.167 0.827 3.492 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -30.695 1.534 5.024 1.00 0.12 H new ATOM 0 HG LEU A 60 -30.596 -1.450 4.609 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.235 -1.205 3.941 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.336 -0.455 2.761 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.432 0.563 3.907 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -28.838 -1.298 6.329 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -29.059 0.467 6.391 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -30.380 -0.613 6.897 1.00 1.41 H new ATOM 898 N VAL A 61 -34.628 0.999 4.119 1.00 0.20 N ATOM 899 CA VAL A 61 -35.633 1.906 3.579 1.00 71.21 C ATOM 900 C VAL A 61 -37.039 1.350 3.778 1.00 70.32 C ATOM 901 O VAL A 61 -37.317 0.200 3.438 1.00 31.11 O ATOM 902 CB VAL A 61 -35.405 2.168 2.079 1.00 31.34 C ATOM 903 CG1 VAL A 61 -36.552 2.980 1.497 1.00 4.22 C ATOM 904 CG2 VAL A 61 -34.076 2.874 1.858 1.00 2.31 C ATOM 0 H VAL A 61 -34.904 0.017 4.121 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.536 2.845 4.123 1.00 71.21 H new ATOM 0 HB VAL A 61 -35.372 1.209 1.562 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -36.372 3.155 0.436 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -37.486 2.432 1.621 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -36.621 3.936 2.016 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -33.931 3.051 0.792 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -34.078 3.827 2.388 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -33.266 2.251 2.236 1.00 2.31 H new ATOM 914 N GLY A 62 -37.924 2.174 4.331 1.00 71.04 N ATOM 915 CA GLY A 62 -39.291 1.748 4.565 1.00 31.12 C ATOM 916 C GLY A 62 -40.238 2.211 3.476 1.00 34.53 C ATOM 917 O GLY A 62 -40.659 3.368 3.460 1.00 41.31 O ATOM 0 H GLY A 62 -37.718 3.130 4.621 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.323 0.660 4.631 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.630 2.136 5.526 1.00 31.12 H new ATOM 921 N LYS A 63 -40.573 1.307 2.562 1.00 64.14 N ATOM 922 CA LYS A 63 -41.475 1.628 1.463 1.00 33.22 C ATOM 923 C LYS A 63 -42.573 0.577 1.335 1.00 20.52 C ATOM 924 O LYS A 63 -42.295 -0.600 1.099 1.00 13.53 O ATOM 925 CB LYS A 63 -40.697 1.731 0.149 1.00 74.02 C ATOM 926 CG LYS A 63 -41.195 2.833 -0.769 1.00 20.40 C ATOM 927 CD LYS A 63 -40.091 3.339 -1.682 1.00 71.32 C ATOM 928 CE LYS A 63 -39.681 2.284 -2.699 1.00 42.40 C ATOM 929 NZ LYS A 63 -38.680 2.809 -3.669 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.233 0.345 2.561 1.00 64.14 H new ATOM 0 HA LYS A 63 -41.940 2.590 1.678 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -39.644 1.904 0.373 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -40.759 0.777 -0.375 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -42.024 2.460 -1.371 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -41.581 3.659 -0.172 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -40.430 4.235 -2.202 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -39.226 3.625 -1.084 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -39.265 1.421 -2.179 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -40.562 1.937 -3.238 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -38.325 2.029 -4.258 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -39.127 3.526 -4.276 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -37.888 3.240 -3.151 1.00 61.51 H new ATOM 943 N VAL A 64 -43.821 1.007 1.492 1.00 71.05 N ATOM 944 CA VAL A 64 -44.959 0.103 1.391 1.00 72.21 C ATOM 945 C VAL A 64 -46.230 0.859 1.023 1.00 72.14 C ATOM 946 O VAL A 64 -46.550 1.889 1.619 1.00 61.31 O ATOM 947 CB VAL A 64 -45.192 -0.656 2.712 1.00 41.14 C ATOM 948 CG1 VAL A 64 -44.275 -1.867 2.800 1.00 41.34 C ATOM 949 CG2 VAL A 64 -44.983 0.269 3.901 1.00 71.41 C ATOM 0 H VAL A 64 -44.069 1.976 1.690 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.725 -0.614 0.604 1.00 72.21 H new ATOM 0 HB VAL A 64 -46.223 -1.009 2.732 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.453 -2.391 3.739 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -44.478 -2.538 1.966 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -43.236 -1.540 2.758 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.152 -0.283 4.826 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -43.963 0.653 3.888 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -45.685 1.101 3.842 1.00 71.41 H new ATOM 959 N THR A 65 -46.955 0.343 0.035 1.00 75.31 N ATOM 960 CA THR A 65 -48.191 0.969 -0.414 1.00 21.11 C ATOM 961 C THR A 65 -49.397 0.085 -0.116 1.00 50.33 C ATOM 962 O THR A 65 -49.279 -1.129 0.060 1.00 22.30 O ATOM 963 CB THR A 65 -48.152 1.271 -1.925 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.138 0.482 -2.556 1.00 52.43 O ATOM 965 CG2 THR A 65 -47.883 2.746 -2.175 1.00 65.41 C ATOM 0 H THR A 65 -46.706 -0.508 -0.469 1.00 75.31 H new ATOM 0 HA THR A 65 -48.287 1.906 0.135 1.00 21.11 H new ATOM 0 HB THR A 65 -49.124 1.019 -2.349 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.121 0.678 -3.516 1.00 52.43 H new ATOM 0 HG21 THR A 65 -47.860 2.935 -3.248 1.00 65.41 H new ATOM 0 HG22 THR A 65 -48.673 3.342 -1.718 1.00 65.41 H new ATOM 0 HG23 THR A 65 -46.923 3.020 -1.738 1.00 65.41 H new ATOM 973 N PRO A 66 -50.585 0.702 -0.057 1.00 71.34 N ATOM 974 CA PRO A 66 -51.836 -0.010 0.220 1.00 72.00 C ATOM 975 C PRO A 66 -52.254 -0.917 -0.933 1.00 31.14 C ATOM 976 O PRO A 66 -51.905 -0.669 -2.088 1.00 4.01 O ATOM 977 CB PRO A 66 -52.854 1.117 0.409 1.00 54.11 C ATOM 978 CG PRO A 66 -52.297 2.264 -0.361 1.00 72.32 C ATOM 979 CD PRO A 66 -50.801 2.146 -0.256 1.00 51.54 C ATOM 0 HA PRO A 66 -51.746 -0.669 1.083 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.837 0.829 0.035 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.975 1.369 1.463 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.619 2.229 -1.402 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.643 3.213 0.048 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.305 2.506 -1.158 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.409 2.729 0.577 1.00 51.54 H new ATOM 987 N LYS A 67 -53.003 -1.966 -0.614 1.00 13.34 N ATOM 988 CA LYS A 67 -53.471 -2.908 -1.623 1.00 22.03 C ATOM 989 C LYS A 67 -54.988 -2.842 -1.768 1.00 61.40 C ATOM 990 O LYS A 67 -55.663 -2.147 -1.011 1.00 45.12 O ATOM 991 CB LYS A 67 -53.044 -4.333 -1.259 1.00 13.12 C ATOM 992 CG LYS A 67 -51.641 -4.684 -1.720 1.00 24.12 C ATOM 993 CD LYS A 67 -51.271 -6.110 -1.345 1.00 43.33 C ATOM 994 CE LYS A 67 -51.812 -7.110 -2.355 1.00 51.24 C ATOM 995 NZ LYS A 67 -50.913 -7.249 -3.535 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.299 -2.186 0.337 1.00 13.34 H new ATOM 0 HA LYS A 67 -53.020 -2.633 -2.577 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -53.103 -4.456 -0.178 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.749 -5.038 -1.699 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -51.571 -4.561 -2.801 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -50.927 -3.992 -1.273 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -50.187 -6.202 -1.285 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -51.665 -6.341 -0.355 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -51.934 -8.081 -1.875 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -52.800 -6.792 -2.687 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -51.317 -7.939 -4.200 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -50.817 -6.328 -4.008 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -49.977 -7.577 -3.222 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.517 -3.572 -2.746 1.00 41.33 N ATOM 1010 CA GLY A 68 -56.951 -3.584 -2.971 1.00 62.55 C ATOM 1011 C GLY A 68 -57.577 -4.926 -2.652 1.00 22.32 C ATOM 1012 O GLY A 68 -56.875 -5.922 -2.482 1.00 24.52 O ATOM 0 H GLY A 68 -54.978 -4.155 -3.386 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -57.418 -2.814 -2.357 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -57.154 -3.330 -4.011 1.00 62.55 H new ATOM 1355 N VAL A 90 -51.641 -4.853 2.501 1.00 14.00 N ATOM 1356 CA VAL A 90 -50.611 -3.923 2.055 1.00 43.15 C ATOM 1357 C VAL A 90 -49.579 -4.625 1.179 1.00 34.22 C ATOM 1358 O VAL A 90 -49.424 -5.844 1.241 1.00 14.45 O ATOM 1359 CB VAL A 90 -49.893 -3.267 3.250 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -48.928 -4.249 3.898 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -49.165 -2.007 2.808 1.00 63.51 C ATOM 0 HA VAL A 90 -51.112 -3.150 1.472 1.00 43.15 H new ATOM 0 HB VAL A 90 -50.641 -2.986 3.991 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -48.430 -3.768 4.740 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -49.479 -5.121 4.252 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -48.183 -4.563 3.167 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -48.664 -1.557 3.665 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -48.426 -2.261 2.048 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -49.882 -1.298 2.394 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.875 -3.846 0.364 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.858 -4.392 -0.526 1.00 3.45 C ATOM 1373 C ARG A 91 -46.460 -3.990 -0.066 1.00 15.52 C ATOM 1374 O ARG A 91 -46.241 -2.860 0.370 1.00 10.53 O ATOM 1375 CB ARG A 91 -48.093 -3.913 -1.959 1.00 35.24 C ATOM 1376 CG ARG A 91 -47.198 -4.593 -2.984 1.00 1.41 C ATOM 1377 CD ARG A 91 -47.197 -3.843 -4.307 1.00 62.05 C ATOM 1378 NE ARG A 91 -48.291 -4.265 -5.177 1.00 32.31 N ATOM 1379 CZ ARG A 91 -48.296 -5.412 -5.847 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -47.270 -6.246 -5.749 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -49.329 -5.726 -6.619 1.00 63.42 N ATOM 0 H ARG A 91 -48.991 -2.834 0.302 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.932 -5.479 -0.497 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -49.135 -4.089 -2.226 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -47.930 -2.836 -2.004 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -46.181 -4.653 -2.598 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -47.539 -5.616 -3.145 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -47.278 -2.773 -4.117 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -46.247 -4.006 -4.815 1.00 62.05 H new ATOM 0 HE ARG A 91 -49.095 -3.645 -5.276 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -46.474 -6.008 -5.158 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -47.277 -7.126 -6.265 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -50.120 -5.086 -6.698 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -49.332 -6.607 -7.133 1.00 63.42 H new ATOM 1395 N ASP A 92 -45.518 -4.922 -0.167 1.00 43.34 N ATOM 1396 CA ASP A 92 -44.142 -4.665 0.238 1.00 22.20 C ATOM 1397 C ASP A 92 -43.302 -4.207 -0.950 1.00 4.24 C ATOM 1398 O ASP A 92 -42.808 -5.025 -1.727 1.00 43.15 O ATOM 1399 CB ASP A 92 -43.527 -5.920 0.859 1.00 42.30 C ATOM 1400 CG ASP A 92 -43.798 -7.165 0.037 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -44.905 -7.728 0.162 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -42.902 -7.575 -0.731 1.00 53.42 O1- ATOM 0 H ASP A 92 -45.683 -5.862 -0.526 1.00 43.34 H new ATOM 0 HA ASP A 92 -44.152 -3.868 0.982 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -42.450 -5.782 0.960 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -43.926 -6.058 1.864 1.00 42.30 H new ATOM 1407 N THR A 93 -43.145 -2.893 -1.086 1.00 3.24 N ATOM 1408 CA THR A 93 -42.369 -2.327 -2.181 1.00 15.11 C ATOM 1409 C THR A 93 -41.104 -1.648 -1.665 1.00 15.23 C ATOM 1410 O THR A 93 -40.684 -0.616 -2.190 1.00 31.43 O ATOM 1411 CB THR A 93 -43.193 -1.305 -2.986 1.00 51.14 C ATOM 1412 OG1 THR A 93 -42.429 -0.825 -4.099 1.00 20.55 O ATOM 1413 CG2 THR A 93 -43.611 -0.134 -2.108 1.00 32.22 C ATOM 0 H THR A 93 -43.545 -2.202 -0.451 1.00 3.24 H new ATOM 0 HA THR A 93 -42.094 -3.156 -2.834 1.00 15.11 H new ATOM 0 HB THR A 93 -44.091 -1.804 -3.351 1.00 51.14 H new ATOM 0 HG1 THR A 93 -41.546 -0.535 -3.789 1.00 20.55 H new ATOM 0 HG21 THR A 93 -44.192 0.575 -2.699 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.218 -0.499 -1.279 1.00 32.22 H new ATOM 0 HG23 THR A 93 -42.723 0.362 -1.716 1.00 32.22 H new ATOM 1421 N SER A 94 -40.503 -2.233 -0.634 1.00 41.23 N ATOM 1422 CA SER A 94 -39.289 -1.682 -0.045 1.00 71.52 C ATOM 1423 C SER A 94 -38.077 -1.973 -0.925 1.00 43.33 C ATOM 1424 O SER A 94 -38.160 -2.746 -1.880 1.00 3.02 O ATOM 1425 CB SER A 94 -39.067 -2.263 1.354 1.00 20.52 C ATOM 1426 OG SER A 94 -39.794 -3.466 1.528 1.00 2.23 O ATOM 0 H SER A 94 -40.837 -3.088 -0.190 1.00 41.23 H new ATOM 0 HA SER A 94 -39.410 -0.601 0.031 1.00 71.52 H new ATOM 0 HB2 SER A 94 -38.005 -2.451 1.509 1.00 20.52 H new ATOM 0 HB3 SER A 94 -39.375 -1.536 2.106 1.00 20.52 H new ATOM 0 HG SER A 94 -39.634 -3.818 2.429 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.952 -1.346 -0.598 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.722 -1.536 -1.359 1.00 34.44 C ATOM 1434 C LEU A 95 -35.093 -2.890 -1.048 1.00 62.22 C ATOM 1435 O LEU A 95 -35.232 -3.411 0.059 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.729 -0.415 -1.047 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.471 -0.372 -1.915 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -33.035 1.066 -2.151 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -32.349 -1.173 -1.271 1.00 61.44 C ATOM 0 H LEU A 95 -36.866 -0.702 0.188 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.971 -1.508 -2.420 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -35.247 0.539 -1.145 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -34.424 -0.507 -0.005 1.00 53.31 H new ATOM 0 HG LEU A 95 -33.703 -0.823 -2.880 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -32.138 1.077 -2.771 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -33.833 1.610 -2.657 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -32.821 1.543 -1.195 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -31.462 -1.131 -1.903 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.117 -0.753 -0.292 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -32.663 -2.210 -1.155 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.400 -3.454 -2.031 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.748 -4.748 -1.863 1.00 2.41 C ATOM 1453 C ARG A 96 -32.267 -4.573 -1.545 1.00 14.45 C ATOM 1454 O ARG A 96 -31.566 -3.806 -2.206 1.00 63.30 O ATOM 1455 CB ARG A 96 -33.914 -5.594 -3.126 1.00 44.25 C ATOM 1456 CG ARG A 96 -33.205 -5.019 -4.341 1.00 63.41 C ATOM 1457 CD ARG A 96 -31.884 -5.726 -4.603 1.00 52.41 C ATOM 1458 NE ARG A 96 -30.913 -4.849 -5.249 1.00 50.34 N ATOM 1459 CZ ARG A 96 -29.786 -5.281 -5.803 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -29.491 -6.574 -5.790 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -28.951 -4.420 -6.371 1.00 2.33 N ATOM 0 H ARG A 96 -34.275 -3.036 -2.953 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.223 -5.260 -1.026 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -33.533 -6.597 -2.934 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -34.976 -5.694 -3.349 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -33.848 -5.112 -5.216 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -33.025 -3.955 -4.189 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -31.474 -6.089 -3.661 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -32.059 -6.599 -5.232 1.00 52.41 H new ATOM 0 HE ARG A 96 -31.111 -3.849 -5.277 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -30.130 -7.239 -5.354 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -28.625 -6.904 -6.216 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -29.174 -3.425 -6.382 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -28.086 -4.753 -6.796 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.795 -5.288 -0.529 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.397 -5.213 -0.124 1.00 32.11 C ATOM 1477 C VAL A 97 -29.746 -6.592 -0.136 1.00 2.42 C ATOM 1478 O VAL A 97 -30.270 -7.559 0.416 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.253 -4.602 1.283 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.892 -4.937 1.873 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.466 -3.097 1.234 1.00 52.15 C ATOM 0 H VAL A 97 -32.361 -5.927 0.029 1.00 32.32 H new ATOM 0 HA VAL A 97 -29.892 -4.570 -0.845 1.00 32.11 H new ATOM 0 HB VAL A 97 -31.018 -5.033 1.928 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.808 -4.497 2.867 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.783 -6.019 1.945 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -28.108 -4.535 1.231 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -30.361 -2.682 2.236 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -29.725 -2.646 0.575 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.466 -2.883 0.856 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.574 -6.686 -0.782 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.824 -7.942 -0.881 1.00 3.14 C ATOM 1493 C PRO A 98 -27.234 -8.372 0.457 1.00 31.21 C ATOM 1494 O PRO A 98 -27.128 -7.572 1.386 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.709 -7.611 -1.876 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.529 -6.137 -1.766 1.00 31.15 C ATOM 1497 CD PRO A 98 -27.889 -5.574 -1.464 1.00 23.22 C ATOM 0 HA PRO A 98 -28.458 -8.772 -1.191 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.789 -8.142 -1.631 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -26.984 -7.902 -2.890 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.820 -5.889 -0.976 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -26.132 -5.722 -2.693 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.826 -4.690 -0.829 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.412 -5.277 -2.373 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.850 -9.642 0.548 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.269 -10.179 1.774 1.00 40.20 C ATOM 1507 C HIS A 99 -24.928 -9.516 2.075 1.00 23.32 C ATOM 1508 O HIS A 99 -24.010 -9.549 1.257 1.00 3.54 O ATOM 1509 CB HIS A 99 -26.087 -11.693 1.657 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.257 -12.107 0.481 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -23.894 -12.307 0.555 1.00 22.30 N ATOM 1512 CD2 HIS A 99 -25.603 -12.360 -0.803 1.00 12.11 C ATOM 1513 CE1 HIS A 99 -23.439 -12.665 -0.632 1.00 51.45 C ATOM 1514 NE2 HIS A 99 -24.456 -12.705 -1.474 1.00 54.33 N ATOM 0 H HIS A 99 -26.931 -10.318 -0.212 1.00 2.03 H new ATOM 0 HA HIS A 99 -26.953 -9.965 2.595 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -25.622 -12.066 2.569 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -27.067 -12.164 1.583 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -26.597 -12.301 -1.222 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -22.410 -12.887 -0.873 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -24.399 -12.952 -2.462 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.825 -8.911 3.255 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.594 -8.247 3.642 1.00 34.40 C ATOM 1524 C GLY A 100 -23.509 -6.828 3.116 1.00 32.53 C ATOM 1525 O GLY A 100 -23.232 -5.895 3.867 1.00 13.43 O ATOM 0 H GLY A 100 -25.571 -8.869 3.949 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.519 -8.233 4.729 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.744 -8.820 3.271 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.748 -6.666 1.817 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.690 -5.348 1.212 1.00 63.32 C ATOM 1531 C GLY A 101 -22.295 -4.987 0.742 1.00 13.11 C ATOM 1532 O GLY A 101 -22.131 -4.311 -0.273 1.00 41.12 O ATOM 0 H GLY A 101 -23.980 -7.423 1.174 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.376 -5.309 0.366 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -24.031 -4.605 1.933 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.287 -5.437 1.482 1.00 35.30 N ATOM 1537 CA GLY A 102 -19.913 -5.145 1.120 1.00 42.33 C ATOM 1538 C GLY A 102 -19.338 -3.986 1.910 1.00 11.11 C ATOM 1539 O GLY A 102 -18.150 -3.973 2.233 1.00 65.03 O ATOM 0 H GLY A 102 -21.398 -5.999 2.326 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.301 -6.032 1.285 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -19.862 -4.916 0.056 1.00 42.33 H new ATOM 1543 N GLY A 103 -20.183 -3.008 2.222 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.733 -1.851 2.976 1.00 70.24 C ATOM 1545 C GLY A 103 -20.666 -1.506 4.120 1.00 14.31 C ATOM 1546 O GLY A 103 -21.443 -2.349 4.571 1.00 75.45 O ATOM 0 H GLY A 103 -21.170 -2.996 1.967 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.735 -2.044 3.370 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.651 -0.994 2.307 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.588 -0.266 4.591 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.432 0.186 5.690 1.00 73.30 C ATOM 1552 C ILE A 104 -22.074 1.533 5.372 1.00 61.32 C ATOM 1553 O ILE A 104 -21.499 2.351 4.655 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.632 0.309 7.001 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -19.914 -1.006 7.311 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.551 0.701 8.148 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -18.957 -0.911 8.477 1.00 42.35 C ATOM 0 H ILE A 104 -19.950 0.443 4.229 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.212 -0.565 5.818 1.00 73.30 H new ATOM 0 HB ILE A 104 -19.882 1.091 6.880 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -20.657 -1.775 7.523 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.365 -1.328 6.426 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -20.971 0.784 9.067 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -22.020 1.660 7.927 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.322 -0.059 8.273 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.484 -1.880 8.639 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -18.192 -0.166 8.260 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.504 -0.619 9.374 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.268 1.754 5.910 1.00 72.41 N ATOM 1570 CA ILE A 105 -23.987 3.002 5.686 1.00 11.13 C ATOM 1571 C ILE A 105 -23.240 4.184 6.297 1.00 43.31 C ATOM 1572 O ILE A 105 -23.298 4.411 7.506 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.408 2.947 6.276 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -26.140 1.698 5.783 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -26.185 4.203 5.906 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.409 1.701 4.295 1.00 11.11 C ATOM 0 H ILE A 105 -23.758 1.085 6.504 1.00 72.41 H new ATOM 0 HA ILE A 105 -24.056 3.137 4.607 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.332 2.897 7.362 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.549 0.818 6.035 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -27.087 1.609 6.315 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -27.188 4.149 6.330 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.670 5.079 6.301 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.254 4.282 4.821 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -26.931 0.785 4.018 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -27.026 2.562 4.039 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.464 1.758 3.755 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.542 4.936 5.452 1.00 44.11 N ATOM 1589 CA HIS A 106 -21.786 6.097 5.908 1.00 34.34 C ATOM 1590 C HIS A 106 -22.497 7.393 5.526 1.00 52.02 C ATOM 1591 O HIS A 106 -22.293 8.431 6.154 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.378 6.080 5.313 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.429 7.018 5.993 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -18.990 6.837 7.289 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.833 8.150 5.552 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.167 7.818 7.614 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -18.055 8.628 6.577 1.00 4.01 N ATOM 0 H HIS A 106 -22.484 4.762 4.449 1.00 44.11 H new ATOM 0 HA HIS A 106 -21.714 6.049 6.995 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -19.980 5.067 5.372 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.436 6.338 4.256 1.00 22.33 H new ATOM 0 HD2 HIS A 106 -18.948 8.595 4.575 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -17.670 7.937 8.566 1.00 70.15 H new ATOM 0 HE2 HIS A 106 -17.483 9.472 6.543 1.00 4.01 H new ATOM 1605 N ASP A 107 -23.329 7.322 4.493 1.00 2.53 N ATOM 1606 CA ASP A 107 -24.070 8.489 4.028 1.00 2.33 C ATOM 1607 C ASP A 107 -25.466 8.093 3.558 1.00 53.53 C ATOM 1608 O ASP A 107 -25.672 6.993 3.047 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.313 9.181 2.893 1.00 13.01 C ATOM 1610 CG ASP A 107 -22.294 10.181 3.403 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -22.675 11.061 4.203 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -21.116 10.083 3.003 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.507 6.470 3.962 1.00 2.53 H new ATOM 0 HA ASP A 107 -24.170 9.183 4.863 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -22.808 8.430 2.286 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -24.024 9.691 2.243 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.423 8.999 3.734 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.800 8.746 3.328 1.00 11.03 C ATOM 1619 C VAL A 108 -28.508 10.041 2.947 1.00 62.13 C ATOM 1620 O VAL A 108 -28.699 10.926 3.782 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.597 8.048 4.447 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -30.040 7.829 4.020 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -27.938 6.731 4.827 1.00 33.40 C ATOM 0 H VAL A 108 -26.269 9.915 4.155 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.757 8.089 2.459 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.599 8.694 5.325 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.586 7.335 4.824 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.505 8.791 3.803 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -30.064 7.204 3.127 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.514 6.251 5.619 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -27.903 6.077 3.956 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -26.924 6.920 5.179 1.00 33.40 H new ATOM 1633 N LYS A 109 -28.896 10.146 1.681 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.585 11.332 1.187 1.00 64.22 C ATOM 1635 C LYS A 109 -31.087 11.086 1.082 1.00 55.52 C ATOM 1636 O LYS A 109 -31.522 10.030 0.622 1.00 53.24 O ATOM 1637 CB LYS A 109 -29.029 11.740 -0.179 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.869 12.717 -0.096 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.354 14.157 -0.069 1.00 43.23 C ATOM 1640 CE LYS A 109 -27.366 15.065 0.647 1.00 25.43 C ATOM 1641 NZ LYS A 109 -27.249 14.726 2.092 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.745 9.423 0.977 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.415 12.141 1.898 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.703 10.846 -0.711 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.829 12.188 -0.769 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.283 12.512 0.800 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -27.207 12.571 -0.950 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -28.502 14.511 -1.089 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.322 14.207 0.429 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -26.388 14.982 0.174 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -27.684 16.102 0.542 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -26.934 15.564 2.621 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -28.174 14.417 2.452 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -26.556 13.960 2.214 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.874 12.067 1.512 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.328 11.957 1.464 1.00 62.24 C ATOM 1657 C VAL A 110 -33.969 13.293 1.104 1.00 62.33 C ATOM 1658 O VAL A 110 -33.771 14.294 1.793 1.00 72.31 O ATOM 1659 CB VAL A 110 -33.899 11.472 2.810 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.441 12.380 3.942 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.417 11.404 2.750 1.00 54.34 C ATOM 0 H VAL A 110 -31.530 12.946 1.897 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.565 11.224 0.692 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.521 10.469 3.006 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -33.854 12.022 4.885 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.352 12.373 3.996 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.788 13.396 3.756 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.804 11.060 3.709 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.817 12.394 2.532 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.719 10.710 1.966 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.737 13.301 0.019 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.407 14.514 -0.433 1.00 61.30 C ATOM 1673 C PHE A 111 -36.918 14.402 -0.248 1.00 14.04 C ATOM 1674 O PHE A 111 -37.507 13.348 -0.488 1.00 54.20 O ATOM 1675 CB PHE A 111 -35.081 14.785 -1.903 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.623 14.633 -2.231 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.664 15.352 -1.534 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.211 13.773 -3.236 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.321 15.215 -1.832 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -31.869 13.632 -3.539 1.00 44.30 C ATOM 1681 CZ PHE A 111 -30.923 14.354 -2.837 1.00 45.00 C ATOM 0 H PHE A 111 -34.910 12.481 -0.563 1.00 31.14 H new ATOM 0 HA PHE A 111 -35.045 15.346 0.172 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.659 14.103 -2.527 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.399 15.796 -2.157 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -32.970 16.027 -0.749 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -33.946 13.207 -3.789 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.584 15.780 -1.280 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.561 12.958 -4.324 1.00 44.30 H new ATOM 0 HZ PHE A 111 -29.875 14.246 -3.073 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.539 15.497 0.180 1.00 50.25 N ATOM 1692 CA ASN A 112 -38.980 15.523 0.398 1.00 72.43 C ATOM 1693 C ASN A 112 -39.617 16.713 -0.312 1.00 13.34 C ATOM 1694 O ASN A 112 -39.078 17.820 -0.295 1.00 60.11 O ATOM 1695 CB ASN A 112 -39.290 15.582 1.895 1.00 64.11 C ATOM 1696 CG ASN A 112 -38.284 16.422 2.660 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -37.141 16.011 2.862 1.00 74.51 O ATOM 1698 ND2 ASN A 112 -38.706 17.605 3.089 1.00 45.40 N ATOM 0 H ASN A 112 -37.066 16.378 0.383 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.401 14.607 -0.017 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -40.289 15.993 2.041 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -39.299 14.571 2.302 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -38.074 18.214 3.609 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -39.662 17.905 2.899 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.767 16.477 -0.935 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.478 17.530 -1.651 1.00 53.42 C ATOM 1707 C ARG A 113 -41.805 18.694 -0.722 1.00 54.43 C ATOM 1708 O ARG A 113 -41.895 19.842 -1.158 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.765 16.977 -2.268 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.768 16.481 -1.239 1.00 1.01 C ATOM 1711 CD ARG A 113 -45.056 16.013 -1.897 1.00 10.22 C ATOM 1712 NE ARG A 113 -46.167 15.960 -0.950 1.00 43.12 N ATOM 1713 CZ ARG A 113 -46.732 17.038 -0.420 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -46.295 18.247 -0.743 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -47.739 16.907 0.434 1.00 54.41 N ATOM 0 H ARG A 113 -41.226 15.567 -0.959 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.829 17.895 -2.447 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -43.232 17.755 -2.873 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -42.513 16.158 -2.941 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -43.331 15.661 -0.669 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -43.989 17.279 -0.531 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -45.310 16.686 -2.716 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -44.903 15.025 -2.332 1.00 10.22 H new ATOM 0 HE ARG A 113 -46.528 15.045 -0.681 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -45.522 18.351 -1.401 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -46.731 19.073 -0.334 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -48.079 15.978 0.683 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -48.173 17.735 0.841 1.00 54.41 H new ATOM 1729 N GLU A 114 -41.981 18.391 0.560 1.00 1.14 N ATOM 1730 CA GLU A 114 -42.299 19.413 1.549 1.00 4.11 C ATOM 1731 C GLU A 114 -41.205 20.475 1.606 1.00 41.23 C ATOM 1732 O GLU A 114 -41.469 21.639 1.907 1.00 33.03 O ATOM 1733 CB GLU A 114 -42.481 18.780 2.930 1.00 54.33 C ATOM 1734 CG GLU A 114 -43.710 17.891 3.034 1.00 44.41 C ATOM 1735 CD GLU A 114 -44.063 17.550 4.468 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -43.206 17.753 5.354 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -45.196 17.081 4.706 1.00 73.01 O1- ATOM 0 H GLU A 114 -41.909 17.446 0.938 1.00 1.14 H new ATOM 0 HA GLU A 114 -43.232 19.892 1.250 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -41.596 18.191 3.170 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -42.551 19.571 3.677 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -44.557 18.392 2.564 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -43.536 16.970 2.478 1.00 44.41 H new ATOM 1744 N ASP A 115 -39.974 20.065 1.316 1.00 61.31 N ATOM 1745 CA ASP A 115 -38.839 20.979 1.332 1.00 32.24 C ATOM 1746 C ASP A 115 -38.868 21.903 0.119 1.00 43.43 C ATOM 1747 O ASP A 115 -38.269 22.978 0.130 1.00 43.12 O ATOM 1748 CB ASP A 115 -37.526 20.196 1.362 1.00 53.53 C ATOM 1749 CG ASP A 115 -36.312 21.095 1.242 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -36.059 21.877 2.182 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -35.615 21.019 0.207 1.00 32.32 O1- ATOM 0 H ASP A 115 -39.738 19.104 1.067 1.00 61.31 H new ATOM 0 HA ASP A 115 -38.909 21.589 2.232 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -37.465 19.631 2.292 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -37.520 19.472 0.547 1.00 53.53 H new ATOM 1756 N GLY A 116 -39.566 21.475 -0.928 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.658 22.275 -2.136 1.00 23.20 C ATOM 1758 C GLY A 116 -38.857 21.690 -3.282 1.00 2.22 C ATOM 1759 O GLY A 116 -38.502 22.397 -4.224 1.00 55.14 O ATOM 0 H GLY A 116 -40.070 20.589 -0.962 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.703 22.359 -2.433 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -39.304 23.284 -1.927 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.572 20.395 -3.201 1.00 71.14 N ATOM 1764 CA ASP A 117 -37.807 19.714 -4.239 1.00 22.33 C ATOM 1765 C ASP A 117 -38.736 19.107 -5.287 1.00 23.13 C ATOM 1766 O ASP A 117 -39.418 18.117 -5.025 1.00 55.15 O ATOM 1767 CB ASP A 117 -36.930 18.624 -3.624 1.00 15.40 C ATOM 1768 CG ASP A 117 -35.713 19.190 -2.919 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -35.809 20.311 -2.379 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -34.664 18.511 -2.907 1.00 42.23 O1- ATOM 0 H ASP A 117 -38.859 19.796 -2.427 1.00 71.14 H new ATOM 0 HA ASP A 117 -37.168 20.450 -4.728 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -37.520 18.044 -2.915 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -36.607 17.937 -4.406 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.754 19.708 -6.472 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.600 19.226 -7.559 1.00 23.12 C ATOM 1777 C GLU A 118 -39.266 17.780 -7.908 1.00 62.43 C ATOM 1778 O GLU A 118 -38.102 17.378 -7.891 1.00 43.24 O ATOM 1779 CB GLU A 118 -39.434 20.113 -8.795 1.00 34.24 C ATOM 1780 CG GLU A 118 -40.336 19.718 -9.953 1.00 62.21 C ATOM 1781 CD GLU A 118 -40.183 20.635 -11.151 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -40.876 21.672 -11.198 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -39.368 20.313 -12.042 1.00 0.43 O1- ATOM 0 H GLU A 118 -38.194 20.528 -6.704 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.637 19.270 -7.226 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -39.641 21.147 -8.520 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -38.396 20.073 -9.124 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -40.110 18.695 -10.252 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -41.374 19.731 -9.621 1.00 62.21 H new ATOM 1790 N LEU A 119 -40.294 17.001 -8.224 1.00 53.45 N ATOM 1791 CA LEU A 119 -40.111 15.597 -8.578 1.00 44.14 C ATOM 1792 C LEU A 119 -40.886 15.249 -9.844 1.00 13.41 C ATOM 1793 O LEU A 119 -41.836 15.931 -10.228 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.563 14.697 -7.426 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.552 14.492 -6.298 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -40.266 14.214 -4.984 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -38.598 13.356 -6.639 1.00 64.10 C ATOM 0 H LEU A 119 -41.264 17.317 -8.243 1.00 53.45 H new ATOM 0 HA LEU A 119 -39.050 15.431 -8.766 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.473 15.117 -6.999 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.824 13.721 -7.835 1.00 54.15 H new ATOM 0 HG LEU A 119 -38.971 15.408 -6.185 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -39.530 14.071 -4.193 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -40.908 15.058 -4.733 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -40.872 13.314 -5.083 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -37.885 13.223 -5.826 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -39.164 12.435 -6.779 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -38.061 13.595 -7.557 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.474 14.159 -10.509 1.00 20.10 N ATOM 1810 CA PRO A 120 -41.118 13.694 -11.742 1.00 0.40 C ATOM 1811 C PRO A 120 -42.512 13.133 -11.490 1.00 11.03 C ATOM 1812 O PRO A 120 -42.915 12.890 -10.352 1.00 42.43 O ATOM 1813 CB PRO A 120 -40.179 12.591 -12.238 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.487 12.103 -11.012 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.348 13.298 -10.110 1.00 64.30 C ATOM 0 HA PRO A 120 -41.262 14.503 -12.458 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.733 11.789 -12.726 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.467 12.976 -12.968 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -40.062 11.314 -10.528 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.511 11.683 -11.256 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.410 13.017 -9.059 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.390 13.798 -10.251 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.271 12.920 -12.577 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.632 12.383 -12.499 1.00 63.41 C ATOM 1825 C PRO A 121 -44.655 10.918 -12.075 1.00 74.12 C ATOM 1826 O PRO A 121 -44.055 10.065 -12.726 1.00 70.11 O ATOM 1827 CB PRO A 121 -45.155 12.534 -13.930 1.00 51.31 C ATOM 1828 CG PRO A 121 -43.934 12.529 -14.782 1.00 10.41 C ATOM 1829 CD PRO A 121 -42.856 13.186 -13.964 1.00 53.13 C ATOM 0 HA PRO A 121 -45.233 12.903 -11.753 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -45.826 11.717 -14.195 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.718 13.460 -14.050 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -43.652 11.512 -15.054 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -44.104 13.072 -15.712 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -41.875 12.763 -14.178 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -42.793 14.255 -14.167 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.353 10.634 -10.980 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.441 9.272 -10.488 1.00 45.50 C ATOM 1839 C GLY A 122 -44.650 9.063 -9.212 1.00 61.31 C ATOM 1840 O GLY A 122 -44.857 8.082 -8.498 1.00 64.21 O ATOM 0 H GLY A 122 -45.859 11.323 -10.425 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.486 9.021 -10.309 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -45.076 8.588 -11.254 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.740 9.988 -8.924 1.00 20.12 N ATOM 1845 CA VAL A 123 -42.915 9.902 -7.725 1.00 30.11 C ATOM 1846 C VAL A 123 -43.398 10.872 -6.653 1.00 42.43 C ATOM 1847 O VAL A 123 -43.852 11.973 -6.959 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.436 10.196 -8.039 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.599 10.138 -6.771 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -40.908 9.220 -9.081 1.00 34.10 C ATOM 0 H VAL A 123 -43.555 10.806 -9.505 1.00 20.12 H new ATOM 0 HA VAL A 123 -43.004 8.881 -7.353 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.363 11.204 -8.448 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.557 10.348 -7.013 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -40.963 10.880 -6.060 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.676 9.144 -6.330 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -39.862 9.442 -9.291 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -40.994 8.202 -8.702 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.490 9.316 -9.998 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.297 10.455 -5.396 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.723 11.287 -4.277 1.00 53.53 C ATOM 1862 C ASN A 124 -42.537 11.668 -3.397 1.00 53.12 C ATOM 1863 O ASN A 124 -42.554 12.700 -2.728 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.778 10.556 -3.444 1.00 43.21 C ATOM 1865 CG ASN A 124 -45.955 10.091 -4.278 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.196 10.604 -5.372 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.695 9.115 -3.766 1.00 3.04 N ATOM 0 H ASN A 124 -42.924 9.545 -5.126 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.158 12.201 -4.682 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.319 9.696 -2.957 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -45.135 11.217 -2.654 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.500 8.761 -4.283 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.459 8.719 -2.856 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.508 10.826 -3.405 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.312 11.073 -2.608 1.00 61.22 C ATOM 1876 C GLN A 125 -39.080 10.469 -3.271 1.00 32.52 C ATOM 1877 O GLN A 125 -39.192 9.673 -4.205 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.483 10.496 -1.201 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.501 11.246 -0.356 1.00 12.52 C ATOM 1880 CD GLN A 125 -42.915 10.737 -0.558 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -43.836 11.513 -0.812 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.095 9.426 -0.447 1.00 13.11 N ATOM 0 H GLN A 125 -41.479 9.967 -3.954 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.171 12.151 -2.537 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -40.787 9.452 -1.280 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.519 10.510 -0.692 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -41.233 11.154 0.696 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.462 12.307 -0.603 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -42.303 8.819 -0.235 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -44.025 9.026 -0.574 1.00 13.11 H new ATOM 1891 N LEU A 126 -37.905 10.852 -2.785 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.649 10.347 -3.332 1.00 42.24 C ATOM 1893 C LEU A 126 -35.623 10.129 -2.226 1.00 22.01 C ATOM 1894 O LEU A 126 -35.346 11.031 -1.434 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.096 11.321 -4.373 1.00 14.10 C ATOM 1896 CG LEU A 126 -35.059 10.751 -5.341 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.755 10.459 -4.615 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.589 9.494 -6.012 1.00 54.24 C ATOM 0 H LEU A 126 -37.795 11.510 -2.014 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.848 9.388 -3.811 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -36.931 11.712 -4.955 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.649 12.166 -3.849 1.00 14.10 H new ATOM 0 HG LEU A 126 -34.864 11.496 -6.113 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -33.029 10.054 -5.320 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.365 11.380 -4.182 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -33.935 9.733 -3.822 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -34.837 9.103 -6.697 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -35.814 8.744 -5.254 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.496 9.733 -6.567 1.00 54.24 H new ATOM 1910 N VAL A 127 -35.057 8.928 -2.179 1.00 20.53 N ATOM 1911 CA VAL A 127 -34.057 8.592 -1.171 1.00 45.13 C ATOM 1912 C VAL A 127 -32.984 7.675 -1.747 1.00 1.10 C ATOM 1913 O VAL A 127 -33.285 6.734 -2.482 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.699 7.908 0.050 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -33.676 7.733 1.163 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -35.897 8.708 0.538 1.00 54.52 C ATOM 0 H VAL A 127 -35.273 8.171 -2.827 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.599 9.529 -0.854 1.00 45.13 H new ATOM 0 HB VAL A 127 -35.047 6.920 -0.250 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -34.148 7.248 2.018 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -32.851 7.117 0.805 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -33.295 8.709 1.464 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -36.339 8.211 1.401 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -35.574 9.710 0.822 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -36.637 8.778 -0.259 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.730 7.955 -1.409 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.610 7.157 -1.893 1.00 61.44 C ATOM 1928 C ARG A 128 -29.670 6.788 -0.748 1.00 20.05 C ATOM 1929 O ARG A 128 -29.510 7.549 0.207 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.841 7.919 -2.973 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.720 8.423 -4.106 1.00 2.30 C ATOM 1932 CD ARG A 128 -29.971 9.396 -5.001 1.00 44.25 C ATOM 1933 NE ARG A 128 -28.970 8.724 -5.824 1.00 42.20 N ATOM 1934 CZ ARG A 128 -28.328 9.311 -6.829 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -28.583 10.576 -7.132 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -27.431 8.633 -7.532 1.00 64.11 N ATOM 0 H ARG A 128 -31.464 8.730 -0.801 1.00 4.20 H new ATOM 0 HA ARG A 128 -31.010 6.239 -2.322 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.332 8.767 -2.515 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -29.069 7.269 -3.385 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -31.071 7.578 -4.699 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.603 8.912 -3.693 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -30.680 9.915 -5.645 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -29.485 10.154 -4.386 1.00 44.25 H new ATOM 0 HE ARG A 128 -28.751 7.750 -5.616 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -29.273 11.100 -6.594 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -28.090 11.025 -7.903 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -27.233 7.659 -7.302 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -26.939 9.085 -8.303 1.00 64.11 H new ATOM 1950 N VAL A 129 -29.051 5.617 -0.851 1.00 61.44 N ATOM 1951 CA VAL A 129 -28.127 5.147 0.174 1.00 71.52 C ATOM 1952 C VAL A 129 -26.688 5.176 -0.329 1.00 13.23 C ATOM 1953 O VAL A 129 -26.437 5.064 -1.530 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.472 3.717 0.629 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.657 3.335 1.854 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -29.962 3.593 0.909 1.00 62.34 C ATOM 0 H VAL A 129 -29.173 4.976 -1.635 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.226 5.823 1.023 1.00 71.52 H new ATOM 0 HB VAL A 129 -28.218 3.027 -0.175 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -27.915 2.321 2.161 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -26.595 3.383 1.614 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -27.876 4.027 2.667 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -30.189 2.576 1.229 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -30.244 4.293 1.696 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -30.523 3.821 0.003 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.747 5.324 0.596 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.332 5.369 0.247 1.00 2.11 C ATOM 1968 C TYR A 130 -23.533 4.371 1.080 1.00 50.21 C ATOM 1969 O TYR A 130 -23.399 4.527 2.294 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.778 6.780 0.452 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.318 7.791 -0.533 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.660 8.153 -0.525 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.485 8.387 -1.473 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -26.156 9.076 -1.423 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -23.973 9.312 -2.375 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.310 9.654 -2.347 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.800 10.574 -3.244 1.00 43.15 O ATOM 0 H TYR A 130 -25.938 5.415 1.594 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.235 5.097 -0.804 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -24.013 7.110 1.464 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.691 6.750 0.370 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.326 7.704 0.197 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.438 8.122 -1.498 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.202 9.345 -1.403 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.312 9.765 -3.099 1.00 13.34 H new ATOM 0 HH TYR A 130 -25.074 10.885 -3.824 1.00 43.15 H new ATOM 1987 N ILE A 131 -23.005 3.348 0.419 1.00 62.14 N ATOM 1988 CA ILE A 131 -22.218 2.325 1.096 1.00 14.52 C ATOM 1989 C ILE A 131 -20.793 2.278 0.554 1.00 32.22 C ATOM 1990 O ILE A 131 -20.574 1.999 -0.624 1.00 50.11 O ATOM 1991 CB ILE A 131 -22.857 0.931 0.947 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -24.088 0.812 1.848 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -21.844 -0.155 1.277 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -25.396 0.994 1.113 1.00 41.20 C ATOM 0 H ILE A 131 -23.108 3.205 -0.586 1.00 62.14 H new ATOM 0 HA ILE A 131 -22.194 2.594 2.152 1.00 14.52 H new ATOM 0 HB ILE A 131 -23.174 0.801 -0.088 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -24.084 -0.167 2.328 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -24.020 1.556 2.642 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -22.311 -1.134 1.167 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -20.995 -0.079 0.597 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.499 -0.031 2.303 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -26.224 0.896 1.815 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.422 1.983 0.656 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -25.486 0.234 0.337 1.00 41.20 H new ATOM 2006 N VAL A 132 -19.826 2.552 1.424 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.421 2.539 1.035 1.00 34.34 C ATOM 2008 C VAL A 132 -17.790 1.176 1.300 1.00 0.01 C ATOM 2009 O VAL A 132 -18.009 0.575 2.351 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.620 3.618 1.787 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -18.181 5.002 1.494 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.623 3.339 3.283 1.00 73.24 C ATOM 0 H VAL A 132 -19.990 2.786 2.403 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.387 2.751 -0.034 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.588 3.589 1.437 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.602 5.751 2.034 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -18.121 5.200 0.424 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -19.222 5.048 1.814 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -17.052 4.112 3.798 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.649 3.339 3.651 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -17.170 2.366 3.473 1.00 73.24 H new ATOM 2022 N GLN A 133 -17.007 0.697 0.340 1.00 42.41 N ATOM 2023 CA GLN A 133 -16.343 -0.596 0.470 1.00 12.41 C ATOM 2024 C GLN A 133 -14.994 -0.447 1.166 1.00 54.20 C ATOM 2025 O GLN A 133 -14.143 0.330 0.735 1.00 2.20 O ATOM 2026 CB GLN A 133 -16.153 -1.236 -0.906 1.00 71.20 C ATOM 2027 CG GLN A 133 -17.361 -2.029 -1.380 1.00 14.21 C ATOM 2028 CD GLN A 133 -18.653 -1.240 -1.279 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -19.552 -1.596 -0.517 1.00 73.53 O ATOM 2030 NE2 GLN A 133 -18.751 -0.163 -2.049 1.00 12.32 N ATOM 0 H GLN A 133 -16.816 1.183 -0.536 1.00 42.41 H new ATOM 0 HA GLN A 133 -16.976 -1.242 1.079 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -15.933 -0.455 -1.634 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -15.286 -1.895 -0.874 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -17.207 -2.335 -2.415 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -17.448 -2.940 -0.787 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -17.981 0.095 -2.666 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.597 0.407 -2.024 1.00 12.32 H new