USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=13 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 20 THR OG1 : rot 180:sc= -0.256 USER MOD Set 1.2: A 21 LYS NZ :NH3+ -130:sc= 0.364 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.053) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 15 SER OG : rot 39:sc= -0.286 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 33 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 0.984 (180deg=0.67) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 73:sc= 0.456 USER MOD Single : A 94 SER OG : rot 10:sc= 0.273 USER MOD Single : A 99 HIS :FLIP no HD1:sc=-0.00193 F(o=-0.5,f=-0.0019) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 109 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.674) USER MOD Single : A 112 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.3!) USER MOD Single : A 124 ASN : amide:sc= 0.54 K(o=0.54,f=-1.9!) USER MOD Single : A 125 GLN : amide:sc= -2.18 K(o=-2.2,f=-4.3!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= -0.0163 F(o=-1.1,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.608 1.447 -2.637 1.00 22.41 N ATOM 95 CA HIS A 9 -15.645 1.592 -3.651 1.00 40.14 C ATOM 96 C HIS A 9 -16.896 2.236 -3.060 1.00 0.44 C ATOM 97 O HIS A 9 -17.100 2.217 -1.846 1.00 31.34 O ATOM 98 CB HIS A 9 -15.994 0.231 -4.252 1.00 13.31 C ATOM 99 CG HIS A 9 -15.215 -0.094 -5.490 1.00 14.24 C ATOM 100 ND1 HIS A 9 -15.491 -1.185 -6.287 1.00 60.14 N ATOM 101 CD2 HIS A 9 -14.166 0.536 -6.067 1.00 65.44 C ATOM 102 CE1 HIS A 9 -14.643 -1.213 -7.300 1.00 42.51 C ATOM 103 NE2 HIS A 9 -13.829 -0.179 -7.190 1.00 14.34 N ATOM 0 HA HIS A 9 -15.261 2.241 -4.438 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -15.815 -0.543 -3.506 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -17.058 0.208 -4.486 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -13.683 1.434 -5.711 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -14.620 -1.955 -8.084 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -13.073 0.051 -7.835 1.00 14.34 H new ATOM 111 N ILE A 10 -17.728 2.806 -3.926 1.00 62.41 N ATOM 112 CA ILE A 10 -18.957 3.454 -3.489 1.00 5.23 C ATOM 113 C ILE A 10 -20.175 2.842 -4.172 1.00 41.15 C ATOM 114 O ILE A 10 -20.290 2.869 -5.397 1.00 13.04 O ATOM 115 CB ILE A 10 -18.927 4.968 -3.776 1.00 51.44 C ATOM 116 CG1 ILE A 10 -17.759 5.626 -3.040 1.00 72.52 C ATOM 117 CG2 ILE A 10 -20.246 5.610 -3.370 1.00 54.40 C ATOM 118 CD1 ILE A 10 -17.884 5.568 -1.535 1.00 33.02 C ATOM 0 H ILE A 10 -17.573 2.832 -4.934 1.00 62.41 H new ATOM 0 HA ILE A 10 -19.031 3.297 -2.413 1.00 5.23 H new ATOM 0 HB ILE A 10 -18.787 5.117 -4.847 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -16.831 5.138 -3.338 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -17.685 6.668 -3.350 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -20.210 6.679 -3.579 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -21.060 5.157 -3.936 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.414 5.454 -2.304 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -17.021 6.053 -1.079 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -18.794 6.081 -1.225 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -17.927 4.527 -1.213 1.00 33.02 H new ATOM 130 N GLU A 11 -21.082 2.292 -3.372 1.00 14.33 N ATOM 131 CA GLU A 11 -22.292 1.673 -3.901 1.00 21.25 C ATOM 132 C GLU A 11 -23.324 2.732 -4.276 1.00 42.40 C ATOM 133 O GLU A 11 -23.176 3.906 -3.936 1.00 51.11 O ATOM 134 CB GLU A 11 -22.887 0.707 -2.875 1.00 50.43 C ATOM 135 CG GLU A 11 -22.568 -0.752 -3.155 1.00 44.11 C ATOM 136 CD GLU A 11 -23.086 -1.213 -4.504 1.00 11.42 C ATOM 137 OE1 GLU A 11 -24.060 -0.612 -5.002 1.00 55.02 O ATOM 138 OE2 GLU A 11 -22.516 -2.175 -5.061 1.00 31.51 O1- ATOM 0 H GLU A 11 -21.002 2.262 -2.356 1.00 14.33 H new ATOM 0 HA GLU A 11 -22.023 1.117 -4.799 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -22.514 0.968 -1.884 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -23.969 0.836 -2.853 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -21.489 -0.898 -3.115 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -23.003 -1.372 -2.371 1.00 44.11 H new ATOM 145 N GLU A 12 -24.368 2.308 -4.981 1.00 22.22 N ATOM 146 CA GLU A 12 -25.425 3.220 -5.405 1.00 35.34 C ATOM 147 C GLU A 12 -26.792 2.546 -5.322 1.00 30.44 C ATOM 148 O GLU A 12 -27.083 1.617 -6.074 1.00 41.32 O ATOM 149 CB GLU A 12 -25.168 3.705 -6.833 1.00 64.20 C ATOM 150 CG GLU A 12 -24.777 2.592 -7.792 1.00 75.35 C ATOM 151 CD GLU A 12 -24.441 3.108 -9.178 1.00 25.02 C ATOM 152 OE1 GLU A 12 -25.362 3.207 -10.015 1.00 51.50 O ATOM 153 OE2 GLU A 12 -23.255 3.413 -9.425 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.505 1.340 -5.271 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.421 4.077 -4.732 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -26.065 4.198 -7.208 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -24.376 4.454 -6.817 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -23.917 2.056 -7.390 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -25.595 1.875 -7.864 1.00 75.35 H new ATOM 160 N TYR A 13 -27.624 3.021 -4.403 1.00 22.50 N ATOM 161 CA TYR A 13 -28.959 2.464 -4.219 1.00 61.54 C ATOM 162 C TYR A 13 -30.008 3.570 -4.159 1.00 2.15 C ATOM 163 O TYR A 13 -29.857 4.544 -3.423 1.00 12.31 O ATOM 164 CB TYR A 13 -29.012 1.625 -2.940 1.00 3.33 C ATOM 165 CG TYR A 13 -28.120 0.405 -2.979 1.00 52.40 C ATOM 166 CD1 TYR A 13 -28.350 -0.620 -3.888 1.00 2.40 C ATOM 167 CD2 TYR A 13 -27.046 0.278 -2.107 1.00 44.14 C ATOM 168 CE1 TYR A 13 -27.539 -1.737 -3.926 1.00 40.42 C ATOM 169 CE2 TYR A 13 -26.228 -0.834 -2.138 1.00 2.10 C ATOM 170 CZ TYR A 13 -26.478 -1.840 -3.049 1.00 52.02 C ATOM 171 OH TYR A 13 -25.666 -2.950 -3.085 1.00 41.41 O ATOM 0 H TYR A 13 -27.398 3.791 -3.773 1.00 22.50 H new ATOM 0 HA TYR A 13 -29.180 1.826 -5.074 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -28.723 2.249 -2.094 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -30.040 1.308 -2.766 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -29.178 -0.542 -4.577 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -26.847 1.063 -1.392 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -27.734 -2.526 -4.638 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -25.397 -0.916 -1.453 1.00 2.10 H new ATOM 0 HH TYR A 13 -24.966 -2.866 -2.404 1.00 41.41 H new ATOM 181 N GLU A 14 -31.071 3.410 -4.940 1.00 51.13 N ATOM 182 CA GLU A 14 -32.147 4.395 -4.977 1.00 44.05 C ATOM 183 C GLU A 14 -33.453 3.794 -4.464 1.00 34.43 C ATOM 184 O GLU A 14 -33.623 2.576 -4.449 1.00 43.23 O ATOM 185 CB GLU A 14 -32.338 4.921 -6.401 1.00 41.01 C ATOM 186 CG GLU A 14 -33.264 6.122 -6.486 1.00 63.43 C ATOM 187 CD GLU A 14 -33.099 6.895 -7.782 1.00 53.14 C ATOM 188 OE1 GLU A 14 -33.318 6.302 -8.858 1.00 2.11 O ATOM 189 OE2 GLU A 14 -32.752 8.092 -7.717 1.00 40.11 O1- ATOM 0 H GLU A 14 -31.211 2.609 -5.555 1.00 51.13 H new ATOM 0 HA GLU A 14 -31.869 5.224 -4.326 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.366 5.192 -6.813 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -32.736 4.121 -7.025 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -34.297 5.787 -6.396 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -33.070 6.786 -5.644 1.00 63.43 H new ATOM 196 N SER A 15 -34.371 4.659 -4.044 1.00 45.22 N ATOM 197 CA SER A 15 -35.659 4.215 -3.528 1.00 21.12 C ATOM 198 C SER A 15 -36.668 5.360 -3.527 1.00 40.40 C ATOM 199 O SER A 15 -36.549 6.307 -2.751 1.00 61.11 O ATOM 200 CB SER A 15 -35.500 3.661 -2.110 1.00 50.55 C ATOM 201 OG SER A 15 -34.215 3.954 -1.589 1.00 60.35 O ATOM 0 H SER A 15 -34.246 5.671 -4.051 1.00 45.22 H new ATOM 0 HA SER A 15 -36.031 3.425 -4.181 1.00 21.12 H new ATOM 0 HB2 SER A 15 -36.265 4.088 -1.461 1.00 50.55 H new ATOM 0 HB3 SER A 15 -35.655 2.582 -2.118 1.00 50.55 H new ATOM 0 HG SER A 15 -33.952 4.859 -1.857 1.00 60.35 H new ATOM 207 N GLU A 16 -37.661 5.264 -4.405 1.00 11.34 N ATOM 208 CA GLU A 16 -38.691 6.291 -4.508 1.00 40.23 C ATOM 209 C GLU A 16 -40.078 5.697 -4.283 1.00 3.23 C ATOM 210 O GLU A 16 -40.375 4.595 -4.747 1.00 64.35 O ATOM 211 CB GLU A 16 -38.631 6.971 -5.877 1.00 4.30 C ATOM 212 CG GLU A 16 -39.186 6.118 -7.005 1.00 43.20 C ATOM 213 CD GLU A 16 -38.545 6.431 -8.343 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.934 7.512 -8.470 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.655 5.594 -9.263 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.774 4.486 -5.055 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.504 7.034 -3.733 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -39.188 7.907 -5.833 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.595 7.226 -6.101 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -39.031 5.065 -6.769 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -40.262 6.273 -7.077 1.00 43.20 H new ATOM 222 N ALA A 17 -40.924 6.433 -3.569 1.00 45.31 N ATOM 223 CA ALA A 17 -42.280 5.979 -3.285 1.00 31.31 C ATOM 224 C ALA A 17 -43.200 6.219 -4.477 1.00 53.14 C ATOM 225 O ALA A 17 -43.707 7.325 -4.668 1.00 52.54 O ATOM 226 CB ALA A 17 -42.821 6.679 -2.047 1.00 33.40 C ATOM 0 H ALA A 17 -40.694 7.346 -3.177 1.00 45.31 H new ATOM 0 HA ALA A 17 -42.247 4.906 -3.097 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -43.834 6.331 -1.846 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -42.183 6.452 -1.193 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.834 7.756 -2.214 1.00 33.40 H new ATOM 232 N ARG A 18 -43.411 5.178 -5.274 1.00 33.11 N ATOM 233 CA ARG A 18 -44.270 5.277 -6.449 1.00 74.51 C ATOM 234 C ARG A 18 -45.737 5.108 -6.065 1.00 1.22 C ATOM 235 O ARG A 18 -46.073 4.308 -5.193 1.00 0.43 O ATOM 236 CB ARG A 18 -43.878 4.220 -7.484 1.00 24.01 C ATOM 237 CG ARG A 18 -42.393 4.207 -7.807 1.00 71.34 C ATOM 238 CD ARG A 18 -42.133 3.671 -9.206 1.00 21.32 C ATOM 239 NE ARG A 18 -41.431 2.390 -9.180 1.00 34.15 N ATOM 240 CZ ARG A 18 -42.036 1.226 -8.971 1.00 3.12 C ATOM 241 NH1 ARG A 18 -43.346 1.181 -8.772 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -41.330 0.102 -8.962 1.00 33.24 N ATOM 0 H ARG A 18 -43.000 4.256 -5.129 1.00 33.11 H new ATOM 0 HA ARG A 18 -44.137 6.268 -6.883 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -44.170 3.237 -7.115 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -44.439 4.396 -8.402 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -41.992 5.217 -7.723 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.866 3.593 -7.077 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -43.081 3.554 -9.731 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -41.544 4.396 -9.768 1.00 21.32 H new ATOM 0 HE ARG A 18 -40.422 2.389 -9.330 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -43.893 2.042 -8.779 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -43.807 0.285 -8.612 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -40.322 0.132 -9.116 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -41.795 -0.791 -8.801 1.00 33.24 H new ATOM 256 N ASP A 19 -46.606 5.868 -6.723 1.00 32.20 N ATOM 257 CA ASP A 19 -48.037 5.803 -6.452 1.00 41.34 C ATOM 258 C ASP A 19 -48.627 4.491 -6.958 1.00 44.41 C ATOM 259 O ASP A 19 -48.336 4.055 -8.072 1.00 5.35 O ATOM 260 CB ASP A 19 -48.756 6.985 -7.106 1.00 22.55 C ATOM 261 CG ASP A 19 -48.422 8.305 -6.440 1.00 73.34 C ATOM 262 OD1 ASP A 19 -48.900 8.539 -5.310 1.00 3.01 O ATOM 263 OD2 ASP A 19 -47.681 9.106 -7.049 1.00 24.34 O1- ATOM 0 H ASP A 19 -46.344 6.536 -7.448 1.00 32.20 H new ATOM 0 HA ASP A 19 -48.180 5.853 -5.373 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -48.484 7.034 -8.160 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -49.833 6.821 -7.062 1.00 22.55 H new ATOM 268 N THR A 20 -49.457 3.863 -6.131 1.00 61.12 N ATOM 269 CA THR A 20 -50.086 2.599 -6.492 1.00 12.12 C ATOM 270 C THR A 20 -51.353 2.829 -7.308 1.00 54.32 C ATOM 271 O THR A 20 -51.844 3.954 -7.410 1.00 54.42 O ATOM 272 CB THR A 20 -50.438 1.768 -5.243 1.00 40.23 C ATOM 273 OG1 THR A 20 -50.972 0.498 -5.634 1.00 70.42 O ATOM 274 CG2 THR A 20 -51.445 2.502 -4.372 1.00 72.02 C ATOM 0 H THR A 20 -49.709 4.210 -5.206 1.00 61.12 H new ATOM 0 HA THR A 20 -49.363 2.048 -7.094 1.00 12.12 H new ATOM 0 HB THR A 20 -49.526 1.615 -4.666 1.00 40.23 H new ATOM 0 HG1 THR A 20 -51.192 -0.025 -4.835 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.678 1.896 -3.496 1.00 72.02 H new ATOM 0 HG22 THR A 20 -51.023 3.455 -4.052 1.00 72.02 H new ATOM 0 HG23 THR A 20 -52.356 2.682 -4.942 1.00 72.02 H new ATOM 282 N LYS A 21 -51.880 1.756 -7.889 1.00 3.44 N ATOM 283 CA LYS A 21 -53.092 1.840 -8.695 1.00 22.44 C ATOM 284 C LYS A 21 -54.335 1.645 -7.832 1.00 14.33 C ATOM 285 O LYS A 21 -55.452 1.567 -8.343 1.00 74.45 O ATOM 286 CB LYS A 21 -53.062 0.790 -9.808 1.00 24.43 C ATOM 287 CG LYS A 21 -53.079 -0.640 -9.296 1.00 51.34 C ATOM 288 CD LYS A 21 -51.675 -1.211 -9.192 1.00 33.02 C ATOM 289 CE LYS A 21 -51.372 -1.694 -7.783 1.00 63.52 C ATOM 290 NZ LYS A 21 -49.927 -1.556 -7.448 1.00 64.01 N1+ ATOM 0 H LYS A 21 -51.486 0.818 -7.816 1.00 3.44 H new ATOM 0 HA LYS A 21 -53.133 2.834 -9.141 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -53.920 0.943 -10.463 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -52.168 0.940 -10.413 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -53.559 -0.672 -8.318 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -53.676 -1.260 -9.965 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -51.565 -2.039 -9.893 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -50.950 -0.450 -9.481 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -51.966 -1.125 -7.068 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -51.669 -2.738 -7.685 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -49.573 -2.454 -7.062 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -49.393 -1.314 -8.307 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -49.805 -0.803 -6.741 1.00 64.01 H new ATOM 304 N LEU A 22 -54.133 1.568 -6.521 1.00 11.11 N ATOM 305 CA LEU A 22 -55.237 1.385 -5.586 1.00 62.04 C ATOM 306 C LEU A 22 -55.614 2.705 -4.922 1.00 2.31 C ATOM 307 O LEU A 22 -56.541 2.763 -4.115 1.00 51.15 O ATOM 308 CB LEU A 22 -54.863 0.353 -4.520 1.00 32.22 C ATOM 309 CG LEU A 22 -55.893 -0.746 -4.259 1.00 53.13 C ATOM 310 CD1 LEU A 22 -57.236 -0.141 -3.884 1.00 24.41 C ATOM 311 CD2 LEU A 22 -56.034 -1.646 -5.478 1.00 34.53 C ATOM 0 H LEU A 22 -53.215 1.630 -6.082 1.00 11.11 H new ATOM 0 HA LEU A 22 -56.099 1.023 -6.147 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -53.925 -0.118 -4.813 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -54.677 0.879 -3.583 1.00 32.22 H new ATOM 0 HG LEU A 22 -55.544 -1.352 -3.423 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -57.956 -0.939 -3.702 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -57.125 0.460 -2.982 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -57.591 0.490 -4.699 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -56.771 -2.422 -5.274 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -56.359 -1.053 -6.333 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -55.073 -2.109 -5.702 1.00 34.53 H new ATOM 323 N GLY A 23 -54.889 3.764 -5.269 1.00 52.15 N ATOM 324 CA GLY A 23 -55.164 5.070 -4.699 1.00 43.34 C ATOM 325 C GLY A 23 -54.374 5.327 -3.432 1.00 14.33 C ATOM 326 O GLY A 23 -54.893 5.228 -2.319 1.00 42.31 O ATOM 0 H GLY A 23 -54.116 3.741 -5.934 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.928 5.840 -5.433 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -56.229 5.152 -4.482 1.00 43.34 H new ATOM 330 N PRO A 24 -53.086 5.665 -3.591 1.00 42.45 N ATOM 331 CA PRO A 24 -52.194 5.943 -2.461 1.00 55.11 C ATOM 332 C PRO A 24 -52.548 7.244 -1.749 1.00 31.25 C ATOM 333 O PRO A 24 -53.372 8.020 -2.231 1.00 23.44 O ATOM 334 CB PRO A 24 -50.815 6.049 -3.116 1.00 4.11 C ATOM 335 CG PRO A 24 -51.093 6.450 -4.523 1.00 61.03 C ATOM 336 CD PRO A 24 -52.400 5.802 -4.887 1.00 45.53 C ATOM 0 HA PRO A 24 -52.258 5.173 -1.692 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -50.192 6.787 -2.610 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -50.282 5.099 -3.073 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -51.156 7.534 -4.615 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -50.295 6.120 -5.188 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -52.973 6.416 -5.582 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -52.249 4.835 -5.366 1.00 45.53 H new ATOM 344 N GLU A 25 -51.920 7.475 -0.601 1.00 30.43 N ATOM 345 CA GLU A 25 -52.170 8.684 0.176 1.00 61.13 C ATOM 346 C GLU A 25 -50.870 9.247 0.741 1.00 2.52 C ATOM 347 O GLU A 25 -50.651 10.458 0.733 1.00 75.32 O ATOM 348 CB GLU A 25 -53.149 8.390 1.315 1.00 32.13 C ATOM 349 CG GLU A 25 -54.607 8.565 0.925 1.00 54.54 C ATOM 350 CD GLU A 25 -55.553 8.331 2.087 1.00 55.02 C ATOM 351 OE1 GLU A 25 -55.171 8.637 3.236 1.00 54.21 O ATOM 352 OE2 GLU A 25 -56.677 7.843 1.847 1.00 12.11 O1- ATOM 0 H GLU A 25 -51.235 6.842 -0.188 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.609 9.428 -0.489 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -52.994 7.368 1.661 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.925 9.048 2.155 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -54.757 9.572 0.536 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -54.849 7.873 0.119 1.00 54.54 H new ATOM 359 N GLU A 26 -50.010 8.359 1.230 1.00 43.40 N ATOM 360 CA GLU A 26 -48.731 8.768 1.800 1.00 42.11 C ATOM 361 C GLU A 26 -47.817 7.563 2.005 1.00 25.51 C ATOM 362 O GLU A 26 -48.283 6.428 2.110 1.00 40.12 O ATOM 363 CB GLU A 26 -48.948 9.489 3.131 1.00 74.23 C ATOM 364 CG GLU A 26 -49.336 8.562 4.270 1.00 70.14 C ATOM 365 CD GLU A 26 -50.164 9.257 5.332 1.00 31.34 C ATOM 366 OE1 GLU A 26 -49.567 9.838 6.264 1.00 24.24 O ATOM 367 OE2 GLU A 26 -51.408 9.222 5.234 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.175 7.353 1.243 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.252 9.451 1.099 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -48.034 10.019 3.400 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -49.727 10.241 3.004 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -49.899 7.718 3.871 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.433 8.156 4.727 1.00 70.14 H new ATOM 374 N ILE A 27 -46.514 7.819 2.058 1.00 34.23 N ATOM 375 CA ILE A 27 -45.534 6.756 2.252 1.00 51.54 C ATOM 376 C ILE A 27 -45.527 6.273 3.698 1.00 3.43 C ATOM 377 O ILE A 27 -45.688 7.061 4.629 1.00 75.14 O ATOM 378 CB ILE A 27 -44.117 7.223 1.870 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.176 6.021 1.754 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.592 8.217 2.894 1.00 22.12 C ATOM 381 CD1 ILE A 27 -41.763 6.396 1.364 1.00 33.44 C ATOM 0 H ILE A 27 -46.112 8.752 1.969 1.00 34.23 H new ATOM 0 HA ILE A 27 -45.825 5.933 1.599 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.163 7.721 0.901 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -43.153 5.494 2.708 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.576 5.326 1.015 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.590 8.537 2.610 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -44.253 9.083 2.932 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.557 7.744 3.875 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.152 5.496 1.301 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.773 6.896 0.396 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.344 7.067 2.114 1.00 33.44 H new ATOM 393 N THR A 28 -45.335 4.970 3.878 1.00 23.51 N ATOM 394 CA THR A 28 -45.304 4.379 5.211 1.00 45.35 C ATOM 395 C THR A 28 -44.318 3.218 5.275 1.00 32.33 C ATOM 396 O THR A 28 -43.744 2.821 4.260 1.00 33.43 O ATOM 397 CB THR A 28 -46.697 3.878 5.635 1.00 53.03 C ATOM 398 OG1 THR A 28 -46.688 3.519 7.021 1.00 4.11 O ATOM 399 CG2 THR A 28 -47.120 2.681 4.798 1.00 21.31 C ATOM 0 H THR A 28 -45.199 4.304 3.118 1.00 23.51 H new ATOM 0 HA THR A 28 -44.983 5.163 5.897 1.00 45.35 H new ATOM 0 HB THR A 28 -47.413 4.684 5.474 1.00 53.03 H new ATOM 0 HG1 THR A 28 -47.578 3.203 7.283 1.00 4.11 H new ATOM 0 HG21 THR A 28 -48.107 2.345 5.116 1.00 21.31 H new ATOM 0 HG22 THR A 28 -47.155 2.966 3.747 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.401 1.872 4.930 1.00 21.31 H new ATOM 407 N ARG A 29 -44.126 2.677 6.474 1.00 14.42 N ATOM 408 CA ARG A 29 -43.209 1.562 6.670 1.00 74.04 C ATOM 409 C ARG A 29 -43.939 0.350 7.243 1.00 61.04 C ATOM 410 O ARG A 29 -44.532 0.423 8.320 1.00 23.41 O ATOM 411 CB ARG A 29 -42.067 1.970 7.604 1.00 13.44 C ATOM 412 CG ARG A 29 -42.534 2.695 8.856 1.00 21.03 C ATOM 413 CD ARG A 29 -41.680 2.334 10.060 1.00 15.43 C ATOM 414 NE ARG A 29 -42.249 2.838 11.307 1.00 11.32 N ATOM 415 CZ ARG A 29 -43.274 2.268 11.930 1.00 74.13 C ATOM 416 NH1 ARG A 29 -43.839 1.180 11.425 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -43.737 2.786 13.060 1.00 74.03 N ATOM 0 H ARG A 29 -44.593 2.993 7.324 1.00 14.42 H new ATOM 0 HA ARG A 29 -42.796 1.290 5.698 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.512 1.079 7.896 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.375 2.612 7.059 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -42.495 3.772 8.690 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -43.575 2.441 9.058 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -41.578 1.250 10.120 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -40.678 2.741 9.928 1.00 15.43 H new ATOM 0 HE ARG A 29 -41.837 3.673 11.722 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -43.487 0.779 10.556 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -44.626 0.744 11.906 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -43.306 3.623 13.452 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -44.524 2.347 13.537 1.00 74.03 H new ATOM 431 N ASP A 30 -43.895 -0.759 6.514 1.00 64.35 N ATOM 432 CA ASP A 30 -44.552 -1.986 6.950 1.00 0.23 C ATOM 433 C ASP A 30 -43.765 -3.213 6.498 1.00 34.02 C ATOM 434 O ASP A 30 -44.029 -3.774 5.434 1.00 14.01 O ATOM 435 CB ASP A 30 -45.978 -2.049 6.400 1.00 31.35 C ATOM 436 CG ASP A 30 -46.632 -3.395 6.639 1.00 31.41 C ATOM 437 OD1 ASP A 30 -47.074 -3.646 7.779 1.00 64.23 O ATOM 438 OD2 ASP A 30 -46.701 -4.199 5.685 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.412 -0.834 5.619 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.591 -1.982 8.039 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.579 -1.268 6.867 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -45.961 -1.842 5.330 1.00 31.35 H new ATOM 443 N ILE A 31 -42.801 -3.625 7.313 1.00 63.23 N ATOM 444 CA ILE A 31 -41.978 -4.785 6.998 1.00 25.31 C ATOM 445 C ILE A 31 -42.282 -5.948 7.936 1.00 64.24 C ATOM 446 O ILE A 31 -41.580 -6.184 8.920 1.00 20.01 O ATOM 447 CB ILE A 31 -40.477 -4.451 7.084 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.212 -3.047 6.535 1.00 24.14 C ATOM 449 CG2 ILE A 31 -39.659 -5.485 6.323 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.680 -2.856 5.109 1.00 71.21 C ATOM 0 H ILE A 31 -42.570 -3.172 8.197 1.00 63.23 H new ATOM 0 HA ILE A 31 -42.220 -5.074 5.975 1.00 25.31 H new ATOM 0 HB ILE A 31 -40.175 -4.475 8.131 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -40.710 -2.317 7.173 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -39.143 -2.841 6.588 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -38.600 -5.235 6.393 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -39.828 -6.472 6.754 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -39.962 -5.490 5.276 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.460 -1.838 4.787 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -40.164 -3.562 4.459 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -41.755 -3.030 5.052 1.00 71.21 H new ATOM 462 N PRO A 32 -43.353 -6.694 7.627 1.00 34.15 N ATOM 463 CA PRO A 32 -43.774 -7.846 8.429 1.00 63.53 C ATOM 464 C PRO A 32 -42.804 -9.017 8.316 1.00 74.13 C ATOM 465 O PRO A 32 -42.159 -9.202 7.285 1.00 52.54 O ATOM 466 CB PRO A 32 -45.133 -8.217 7.831 1.00 61.33 C ATOM 467 CG PRO A 32 -45.082 -7.711 6.430 1.00 72.25 C ATOM 468 CD PRO A 32 -44.236 -6.469 6.470 1.00 11.40 C ATOM 0 HA PRO A 32 -43.811 -7.610 9.493 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -45.296 -9.294 7.857 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -45.949 -7.758 8.388 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -44.651 -8.456 5.761 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -46.082 -7.490 6.058 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -43.667 -6.341 5.549 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -44.844 -5.573 6.597 1.00 11.40 H new ATOM 476 N ASN A 33 -42.708 -9.805 9.381 1.00 71.22 N ATOM 477 CA ASN A 33 -41.815 -10.959 9.401 1.00 2.45 C ATOM 478 C ASN A 33 -40.358 -10.521 9.281 1.00 2.05 C ATOM 479 O ASN A 33 -39.523 -11.247 8.741 1.00 32.14 O ATOM 480 CB ASN A 33 -42.166 -11.919 8.263 1.00 52.30 C ATOM 481 CG ASN A 33 -43.664 -12.104 8.104 1.00 14.10 C ATOM 482 OD1 ASN A 33 -44.331 -12.641 8.988 1.00 31.13 O ATOM 483 ND2 ASN A 33 -44.197 -11.659 6.973 1.00 31.33 N ATOM 0 H ASN A 33 -43.237 -9.666 10.242 1.00 71.22 H new ATOM 0 HA ASN A 33 -41.944 -11.472 10.354 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -41.748 -11.541 7.330 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -41.701 -12.887 8.451 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -45.199 -11.756 6.809 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -43.605 -11.220 6.268 1.00 31.33 H new ATOM 490 N VAL A 34 -40.059 -9.330 9.790 1.00 34.42 N ATOM 491 CA VAL A 34 -38.704 -8.797 9.741 1.00 3.55 C ATOM 492 C VAL A 34 -37.986 -8.999 11.071 1.00 63.25 C ATOM 493 O VAL A 34 -38.621 -9.146 12.114 1.00 72.34 O ATOM 494 CB VAL A 34 -38.703 -7.297 9.393 1.00 61.54 C ATOM 495 CG1 VAL A 34 -39.218 -6.475 10.565 1.00 74.44 C ATOM 496 CG2 VAL A 34 -37.307 -6.845 8.988 1.00 63.24 C ATOM 0 H VAL A 34 -40.738 -8.716 10.241 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.177 -9.344 8.959 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.372 -7.138 8.547 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -39.210 -5.418 10.300 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -40.236 -6.781 10.804 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -38.577 -6.636 11.432 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -37.325 -5.782 8.745 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -36.615 -7.018 9.812 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -36.980 -7.411 8.116 1.00 63.24 H new ATOM 506 N GLY A 35 -36.657 -9.005 11.026 1.00 71.54 N ATOM 507 CA GLY A 35 -35.874 -9.190 12.234 1.00 61.21 C ATOM 508 C GLY A 35 -35.806 -7.932 13.078 1.00 63.23 C ATOM 509 O GLY A 35 -35.656 -6.831 12.550 1.00 50.52 O ATOM 0 H GLY A 35 -36.109 -8.885 10.174 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -36.307 -9.997 12.824 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -34.864 -9.499 11.965 1.00 61.21 H new ATOM 513 N GLU A 36 -35.917 -8.098 14.393 1.00 25.34 N ATOM 514 CA GLU A 36 -35.870 -6.965 15.310 1.00 23.30 C ATOM 515 C GLU A 36 -34.599 -6.147 15.101 1.00 75.14 C ATOM 516 O GLU A 36 -34.593 -4.931 15.286 1.00 34.31 O ATOM 517 CB GLU A 36 -35.942 -7.451 16.759 1.00 11.14 C ATOM 518 CG GLU A 36 -37.358 -7.517 17.308 1.00 41.24 C ATOM 519 CD GLU A 36 -37.391 -7.667 18.817 1.00 1.32 C ATOM 520 OE1 GLU A 36 -36.470 -7.152 19.484 1.00 11.12 O ATOM 521 OE2 GLU A 36 -38.338 -8.300 19.330 1.00 24.50 O1- ATOM 0 H GLU A 36 -36.040 -9.004 14.846 1.00 25.34 H new ATOM 0 HA GLU A 36 -36.730 -6.328 15.103 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -35.489 -8.440 16.825 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -35.348 -6.786 17.387 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -37.896 -6.613 17.024 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -37.882 -8.356 16.851 1.00 41.24 H new ATOM 528 N ASP A 37 -33.524 -6.825 14.712 1.00 22.02 N ATOM 529 CA ASP A 37 -32.246 -6.163 14.476 1.00 32.15 C ATOM 530 C ASP A 37 -32.313 -5.279 13.234 1.00 14.55 C ATOM 531 O ASP A 37 -31.677 -4.229 13.172 1.00 61.42 O ATOM 532 CB ASP A 37 -31.131 -7.198 14.320 1.00 75.52 C ATOM 533 CG ASP A 37 -30.856 -7.949 15.608 1.00 61.23 C ATOM 534 OD1 ASP A 37 -30.399 -7.311 16.580 1.00 2.44 O ATOM 535 OD2 ASP A 37 -31.095 -9.174 15.644 1.00 44.23 O1- ATOM 0 H ASP A 37 -33.512 -7.833 14.554 1.00 22.02 H new ATOM 0 HA ASP A 37 -32.028 -5.533 15.338 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -31.405 -7.908 13.540 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -30.219 -6.699 13.992 1.00 75.52 H new ATOM 540 N ALA A 38 -33.090 -5.714 12.246 1.00 41.12 N ATOM 541 CA ALA A 38 -33.240 -4.964 11.006 1.00 33.22 C ATOM 542 C ALA A 38 -33.942 -3.631 11.253 1.00 61.11 C ATOM 543 O ALA A 38 -33.839 -2.706 10.447 1.00 73.30 O ATOM 544 CB ALA A 38 -34.009 -5.785 9.982 1.00 54.45 C ATOM 0 H ALA A 38 -33.625 -6.582 12.281 1.00 41.12 H new ATOM 0 HA ALA A 38 -32.245 -4.755 10.614 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -34.113 -5.212 9.061 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -33.468 -6.709 9.776 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -34.997 -6.024 10.375 1.00 54.45 H new ATOM 550 N LEU A 39 -34.654 -3.543 12.370 1.00 44.35 N ATOM 551 CA LEU A 39 -35.374 -2.323 12.722 1.00 51.12 C ATOM 552 C LEU A 39 -34.840 -1.733 14.024 1.00 25.44 C ATOM 553 O LEU A 39 -35.476 -0.874 14.635 1.00 75.32 O ATOM 554 CB LEU A 39 -36.870 -2.611 12.857 1.00 75.42 C ATOM 555 CG LEU A 39 -37.256 -3.705 13.852 1.00 63.45 C ATOM 556 CD1 LEU A 39 -37.332 -3.142 15.262 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.582 -4.342 13.458 1.00 33.13 C ATOM 0 H LEU A 39 -34.749 -4.300 13.047 1.00 44.35 H new ATOM 0 HA LEU A 39 -35.220 -1.597 11.924 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -37.372 -1.689 13.149 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -37.256 -2.887 11.876 1.00 75.42 H new ATOM 0 HG LEU A 39 -36.485 -4.475 13.831 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -37.608 -3.936 15.956 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -36.361 -2.735 15.544 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -38.081 -2.351 15.298 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -38.841 -5.119 14.178 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -39.363 -3.581 13.449 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.493 -4.783 12.465 1.00 33.13 H new ATOM 569 N ARG A 40 -33.667 -2.197 14.441 1.00 20.52 N ATOM 570 CA ARG A 40 -33.045 -1.714 15.669 1.00 43.52 C ATOM 571 C ARG A 40 -32.510 -0.297 15.486 1.00 33.33 C ATOM 572 O ARG A 40 -32.411 0.468 16.445 1.00 61.33 O ATOM 573 CB ARG A 40 -31.912 -2.648 16.093 1.00 31.43 C ATOM 574 CG ARG A 40 -30.643 -2.479 15.274 1.00 41.24 C ATOM 575 CD ARG A 40 -29.736 -3.693 15.394 1.00 43.45 C ATOM 576 NE ARG A 40 -29.450 -4.028 16.786 1.00 63.04 N ATOM 577 CZ ARG A 40 -28.631 -5.008 17.154 1.00 32.22 C ATOM 578 NH1 ARG A 40 -28.022 -5.745 16.236 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -28.422 -5.252 18.441 1.00 20.05 N ATOM 0 H ARG A 40 -33.127 -2.907 13.947 1.00 20.52 H new ATOM 0 HA ARG A 40 -33.805 -1.699 16.450 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -31.682 -2.472 17.144 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -32.253 -3.680 16.010 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -30.903 -2.320 14.227 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -30.109 -1.590 15.609 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -30.206 -4.546 14.905 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -28.801 -3.500 14.868 1.00 43.45 H new ATOM 0 HE ARG A 40 -29.904 -3.480 17.517 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -28.182 -5.560 15.246 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -27.394 -6.497 16.520 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -28.890 -4.687 19.150 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -27.793 -6.004 18.722 1.00 20.05 H new ATOM 593 N ASN A 41 -32.165 0.045 14.249 1.00 55.32 N ATOM 594 CA ASN A 41 -31.638 1.370 13.940 1.00 71.13 C ATOM 595 C ASN A 41 -32.694 2.228 13.248 1.00 35.30 C ATOM 596 O ASN A 41 -32.656 3.456 13.321 1.00 31.23 O ATOM 597 CB ASN A 41 -30.397 1.255 13.054 1.00 34.41 C ATOM 598 CG ASN A 41 -29.279 0.479 13.723 1.00 10.32 C ATOM 599 OD1 ASN A 41 -28.831 0.831 14.815 1.00 32.53 O ATOM 600 ND2 ASN A 41 -28.823 -0.584 13.070 1.00 61.32 N ATOM 0 H ASN A 41 -32.241 -0.577 13.444 1.00 55.32 H new ATOM 0 HA ASN A 41 -31.362 1.851 14.878 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.666 0.765 12.118 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -30.041 2.254 12.800 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -28.072 -1.145 13.471 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -29.224 -0.839 12.167 1.00 61.32 H new ATOM 607 N LEU A 42 -33.633 1.571 12.577 1.00 5.31 N ATOM 608 CA LEU A 42 -34.701 2.273 11.871 1.00 1.45 C ATOM 609 C LEU A 42 -35.399 3.268 12.792 1.00 41.30 C ATOM 610 O LEU A 42 -35.651 2.976 13.960 1.00 64.12 O ATOM 611 CB LEU A 42 -35.716 1.272 11.318 1.00 35.41 C ATOM 612 CG LEU A 42 -36.437 1.688 10.035 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.670 1.211 8.812 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.858 1.142 10.022 1.00 43.22 C ATOM 0 H LEU A 42 -33.678 0.554 12.506 1.00 5.31 H new ATOM 0 HA LEU A 42 -34.256 2.824 11.043 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -35.202 0.329 11.133 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -36.465 1.082 12.087 1.00 35.41 H new ATOM 0 HG LEU A 42 -36.486 2.776 10.005 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -36.199 1.516 7.909 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.672 1.650 8.814 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.589 0.124 8.835 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -38.357 1.447 9.102 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.830 0.054 10.076 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -38.406 1.533 10.879 1.00 43.22 H new ATOM 626 N ASP A 43 -35.711 4.443 12.256 1.00 10.14 N ATOM 627 CA ASP A 43 -36.384 5.482 13.028 1.00 31.33 C ATOM 628 C ASP A 43 -37.842 5.616 12.601 1.00 31.33 C ATOM 629 O ASP A 43 -38.327 4.856 11.762 1.00 2.34 O ATOM 630 CB ASP A 43 -35.663 6.819 12.859 1.00 44.20 C ATOM 631 CG ASP A 43 -35.710 7.665 14.117 1.00 54.04 C ATOM 632 OD1 ASP A 43 -34.901 7.409 15.034 1.00 1.31 O ATOM 633 OD2 ASP A 43 -36.555 8.581 14.185 1.00 30.34 O1- ATOM 0 H ASP A 43 -35.509 4.700 11.290 1.00 10.14 H new ATOM 0 HA ASP A 43 -36.358 5.196 14.079 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -34.624 6.636 12.586 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -36.116 7.371 12.036 1.00 44.20 H new ATOM 638 N ASP A 44 -38.535 6.588 13.182 1.00 73.33 N ATOM 639 CA ASP A 44 -39.939 6.824 12.862 1.00 11.43 C ATOM 640 C ASP A 44 -40.103 7.219 11.398 1.00 44.41 C ATOM 641 O ASP A 44 -41.197 7.132 10.841 1.00 0.12 O ATOM 642 CB ASP A 44 -40.514 7.917 13.766 1.00 63.23 C ATOM 643 CG ASP A 44 -41.024 7.369 15.084 1.00 31.34 C ATOM 644 OD1 ASP A 44 -40.319 6.538 15.693 1.00 40.13 O ATOM 645 OD2 ASP A 44 -42.129 7.770 15.505 1.00 13.32 O1- ATOM 0 H ASP A 44 -38.148 7.226 13.877 1.00 73.33 H new ATOM 0 HA ASP A 44 -40.486 5.897 13.033 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -39.746 8.665 13.960 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -41.328 8.423 13.247 1.00 63.23 H new ATOM 650 N ARG A 45 -39.009 7.655 10.781 1.00 71.11 N ATOM 651 CA ARG A 45 -39.032 8.065 9.383 1.00 52.13 C ATOM 652 C ARG A 45 -39.055 6.849 8.459 1.00 35.45 C ATOM 653 O ARG A 45 -39.474 6.941 7.307 1.00 3.22 O ATOM 654 CB ARG A 45 -37.817 8.937 9.065 1.00 65.04 C ATOM 655 CG ARG A 45 -37.686 10.152 9.969 1.00 43.34 C ATOM 656 CD ARG A 45 -38.517 11.319 9.459 1.00 43.42 C ATOM 657 NE ARG A 45 -38.095 11.751 8.129 1.00 64.23 N ATOM 658 CZ ARG A 45 -38.845 12.498 7.327 1.00 23.12 C ATOM 659 NH1 ARG A 45 -40.049 12.894 7.717 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -38.392 12.850 6.130 1.00 3.01 N ATOM 0 H ARG A 45 -38.096 7.733 11.228 1.00 71.11 H new ATOM 0 HA ARG A 45 -39.940 8.644 9.216 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -36.914 8.332 9.150 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -37.881 9.270 8.029 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -38.004 9.891 10.979 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -36.639 10.449 10.031 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -39.568 11.031 9.430 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -38.435 12.154 10.155 1.00 43.42 H new ATOM 0 HE ARG A 45 -37.174 11.463 7.798 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -40.402 12.625 8.635 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -40.622 13.468 7.099 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -37.467 12.547 5.825 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -38.969 13.424 5.515 1.00 3.01 H new ATOM 674 N GLY A 46 -38.600 5.712 8.977 1.00 63.25 N ATOM 675 CA GLY A 46 -38.576 4.496 8.186 1.00 13.20 C ATOM 676 C GLY A 46 -37.243 4.277 7.499 1.00 41.41 C ATOM 677 O GLY A 46 -37.154 3.532 6.522 1.00 11.40 O ATOM 0 H GLY A 46 -38.248 5.612 9.929 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.794 3.644 8.829 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -39.365 4.539 7.435 1.00 13.20 H new ATOM 681 N VAL A 47 -36.202 4.929 8.008 1.00 30.53 N ATOM 682 CA VAL A 47 -34.867 4.803 7.436 1.00 42.32 C ATOM 683 C VAL A 47 -33.830 4.527 8.520 1.00 35.22 C ATOM 684 O VAL A 47 -33.869 5.124 9.596 1.00 74.45 O ATOM 685 CB VAL A 47 -34.464 6.074 6.666 1.00 33.24 C ATOM 686 CG1 VAL A 47 -34.392 7.267 7.605 1.00 62.32 C ATOM 687 CG2 VAL A 47 -33.137 5.865 5.952 1.00 11.24 C ATOM 0 H VAL A 47 -36.258 5.550 8.815 1.00 30.53 H new ATOM 0 HA VAL A 47 -34.897 3.962 6.743 1.00 42.32 H new ATOM 0 HB VAL A 47 -35.226 6.280 5.915 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -34.106 8.156 7.043 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -35.367 7.427 8.065 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -33.651 7.075 8.381 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -32.867 6.773 5.413 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -32.363 5.634 6.683 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -33.229 5.038 5.247 1.00 11.24 H new ATOM 697 N ILE A 48 -32.904 3.622 8.228 1.00 4.11 N ATOM 698 CA ILE A 48 -31.855 3.269 9.176 1.00 23.31 C ATOM 699 C ILE A 48 -30.891 4.432 9.388 1.00 42.35 C ATOM 700 O ILE A 48 -30.420 5.043 8.428 1.00 21.41 O ATOM 701 CB ILE A 48 -31.060 2.037 8.704 1.00 74.51 C ATOM 702 CG1 ILE A 48 -31.969 0.808 8.643 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.878 1.783 9.628 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.455 0.348 10.000 1.00 11.41 C ATOM 0 H ILE A 48 -32.858 3.119 7.342 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.349 3.033 10.119 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.678 2.232 7.702 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.831 1.034 8.015 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.430 -0.009 8.163 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.326 0.909 9.281 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.220 2.652 9.625 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -30.240 1.605 10.641 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -33.094 -0.527 9.880 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.600 0.090 10.624 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -33.022 1.149 10.474 1.00 11.41 H new ATOM 716 N ARG A 49 -30.600 4.730 10.649 1.00 61.21 N ATOM 717 CA ARG A 49 -29.692 5.820 10.987 1.00 55.21 C ATOM 718 C ARG A 49 -28.280 5.524 10.490 1.00 4.43 C ATOM 719 O ARG A 49 -27.917 4.367 10.274 1.00 74.42 O ATOM 720 CB ARG A 49 -29.675 6.047 12.500 1.00 75.12 C ATOM 721 CG ARG A 49 -28.937 7.309 12.917 1.00 63.14 C ATOM 722 CD ARG A 49 -29.534 8.545 12.262 1.00 21.00 C ATOM 723 NE ARG A 49 -28.951 9.777 12.787 1.00 40.53 N ATOM 724 CZ ARG A 49 -29.069 10.958 12.190 1.00 35.01 C ATOM 725 NH1 ARG A 49 -29.745 11.066 11.055 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -28.511 12.035 12.730 1.00 44.41 N ATOM 0 H ARG A 49 -30.980 4.232 11.454 1.00 61.21 H new ATOM 0 HA ARG A 49 -30.050 6.724 10.495 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.702 6.100 12.863 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -29.210 5.188 12.983 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -28.978 7.415 14.001 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -27.885 7.224 12.645 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -29.373 8.498 11.185 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -30.612 8.556 12.423 1.00 21.00 H new ATOM 0 HE ARG A 49 -28.425 9.728 13.659 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -30.176 10.241 10.638 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -29.834 11.974 10.599 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -27.991 11.956 13.604 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -28.602 12.941 12.271 1.00 44.41 H new ATOM 740 N ILE A 50 -27.489 6.576 10.310 1.00 42.34 N ATOM 741 CA ILE A 50 -26.117 6.429 9.839 1.00 64.41 C ATOM 742 C ILE A 50 -25.269 5.663 10.848 1.00 25.51 C ATOM 743 O ILE A 50 -25.525 5.707 12.051 1.00 50.31 O ATOM 744 CB ILE A 50 -25.465 7.797 9.569 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.396 8.675 8.731 1.00 31.11 C ATOM 746 CG2 ILE A 50 -24.126 7.617 8.871 1.00 54.25 C ATOM 747 CD1 ILE A 50 -26.812 8.037 7.424 1.00 54.33 C ATOM 0 H ILE A 50 -27.774 7.540 10.483 1.00 42.34 H new ATOM 0 HA ILE A 50 -26.162 5.868 8.906 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.291 8.294 10.523 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -27.288 8.905 9.314 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -25.899 9.622 8.522 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.677 8.593 8.687 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.463 7.026 9.503 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -24.277 7.102 7.922 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -27.471 8.715 6.882 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -25.927 7.832 6.821 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -27.338 7.104 7.626 1.00 54.33 H new ATOM 759 N GLY A 51 -24.255 4.962 10.351 1.00 2.14 N ATOM 760 CA GLY A 51 -23.382 4.198 11.222 1.00 43.44 C ATOM 761 C GLY A 51 -23.881 2.785 11.448 1.00 53.24 C ATOM 762 O GLY A 51 -23.410 2.090 12.348 1.00 63.33 O ATOM 0 H GLY A 51 -24.022 4.910 9.359 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.382 4.162 10.789 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -23.295 4.707 12.182 1.00 43.44 H new ATOM 766 N ALA A 52 -24.837 2.358 10.629 1.00 53.13 N ATOM 767 CA ALA A 52 -25.400 1.018 10.742 1.00 25.41 C ATOM 768 C ALA A 52 -24.862 0.103 9.649 1.00 3.24 C ATOM 769 O ALA A 52 -24.923 0.432 8.465 1.00 33.21 O ATOM 770 CB ALA A 52 -26.919 1.077 10.685 1.00 4.44 C ATOM 0 H ALA A 52 -25.238 2.922 9.879 1.00 53.13 H new ATOM 0 HA ALA A 52 -25.100 0.605 11.705 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -27.326 0.069 10.771 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -27.290 1.689 11.507 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.231 1.515 9.737 1.00 4.44 H new ATOM 776 N GLU A 53 -24.334 -1.049 10.053 1.00 24.44 N ATOM 777 CA GLU A 53 -23.785 -2.011 9.105 1.00 12.23 C ATOM 778 C GLU A 53 -24.889 -2.619 8.245 1.00 61.23 C ATOM 779 O GLU A 53 -25.958 -2.967 8.744 1.00 62.55 O ATOM 780 CB GLU A 53 -23.032 -3.118 9.847 1.00 5.05 C ATOM 781 CG GLU A 53 -22.473 -4.194 8.930 1.00 63.31 C ATOM 782 CD GLU A 53 -21.868 -5.355 9.696 1.00 65.35 C ATOM 783 OE1 GLU A 53 -21.061 -5.104 10.615 1.00 22.21 O ATOM 784 OE2 GLU A 53 -22.202 -6.514 9.374 1.00 42.20 O1- ATOM 0 H GLU A 53 -24.275 -1.338 11.029 1.00 24.44 H new ATOM 0 HA GLU A 53 -23.090 -1.483 8.452 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -22.213 -2.673 10.412 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -23.704 -3.581 10.570 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -23.268 -4.565 8.284 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -21.714 -3.756 8.282 1.00 63.31 H new ATOM 791 N VAL A 54 -24.620 -2.744 6.949 1.00 22.21 N ATOM 792 CA VAL A 54 -25.589 -3.310 6.019 1.00 62.55 C ATOM 793 C VAL A 54 -25.396 -4.816 5.873 1.00 25.30 C ATOM 794 O VAL A 54 -24.271 -5.313 5.892 1.00 72.42 O ATOM 795 CB VAL A 54 -25.484 -2.653 4.630 1.00 34.21 C ATOM 796 CG1 VAL A 54 -24.060 -2.744 4.103 1.00 11.11 C ATOM 797 CG2 VAL A 54 -26.462 -3.300 3.660 1.00 22.21 C ATOM 0 H VAL A 54 -23.739 -2.461 6.520 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.578 -3.112 6.433 1.00 62.55 H new ATOM 0 HB VAL A 54 -25.745 -1.599 4.725 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -24.005 -2.275 3.121 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -23.385 -2.232 4.788 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -23.768 -3.791 4.022 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -26.375 -2.824 2.683 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -26.234 -4.362 3.568 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -27.479 -3.178 4.033 1.00 22.21 H new ATOM 807 N LYS A 55 -26.503 -5.536 5.727 1.00 32.13 N ATOM 808 CA LYS A 55 -26.458 -6.986 5.577 1.00 11.44 C ATOM 809 C LYS A 55 -27.762 -7.513 4.987 1.00 24.20 C ATOM 810 O LYS A 55 -28.707 -6.755 4.772 1.00 53.12 O ATOM 811 CB LYS A 55 -26.191 -7.652 6.928 1.00 13.34 C ATOM 812 CG LYS A 55 -27.393 -7.648 7.856 1.00 34.42 C ATOM 813 CD LYS A 55 -26.971 -7.601 9.315 1.00 72.33 C ATOM 814 CE LYS A 55 -26.692 -8.993 9.859 1.00 54.12 C ATOM 815 NZ LYS A 55 -26.566 -8.994 11.343 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.443 -5.139 5.709 1.00 32.13 H new ATOM 0 HA LYS A 55 -25.645 -7.230 4.893 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -25.876 -8.682 6.760 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -25.362 -7.141 7.418 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -28.025 -6.789 7.631 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -27.994 -8.540 7.679 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -26.079 -6.984 9.417 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -27.755 -7.128 9.907 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -27.496 -9.667 9.562 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -25.774 -9.378 9.416 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -26.376 -9.961 11.675 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -25.782 -8.371 11.625 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -27.451 -8.650 11.767 1.00 75.44 H new ATOM 829 N ASP A 56 -27.806 -8.815 4.730 1.00 1.11 N ATOM 830 CA ASP A 56 -28.996 -9.444 4.167 1.00 50.12 C ATOM 831 C ASP A 56 -30.207 -9.218 5.068 1.00 51.21 C ATOM 832 O ASP A 56 -30.174 -9.530 6.258 1.00 22.43 O ATOM 833 CB ASP A 56 -28.763 -10.942 3.971 1.00 24.03 C ATOM 834 CG ASP A 56 -28.705 -11.696 5.285 1.00 74.11 C ATOM 835 OD1 ASP A 56 -27.805 -11.400 6.100 1.00 70.55 O ATOM 836 OD2 ASP A 56 -29.558 -12.582 5.500 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.032 -9.456 4.902 1.00 1.11 H new ATOM 0 HA ASP A 56 -29.195 -8.986 3.198 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -29.562 -11.353 3.354 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -27.831 -11.094 3.427 1.00 24.03 H new ATOM 841 N GLY A 57 -31.273 -8.673 4.491 1.00 23.23 N ATOM 842 CA GLY A 57 -32.479 -8.414 5.257 1.00 2.42 C ATOM 843 C GLY A 57 -32.570 -6.976 5.726 1.00 30.44 C ATOM 844 O GLY A 57 -33.580 -6.565 6.298 1.00 50.43 O ATOM 0 H GLY A 57 -31.324 -8.406 3.508 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.351 -8.650 4.647 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -32.506 -9.077 6.122 1.00 2.42 H new ATOM 848 N ASP A 58 -31.513 -6.208 5.485 1.00 1.23 N ATOM 849 CA ASP A 58 -31.477 -4.807 5.887 1.00 24.33 C ATOM 850 C ASP A 58 -31.816 -3.896 4.712 1.00 44.22 C ATOM 851 O ASP A 58 -30.926 -3.367 4.044 1.00 4.32 O ATOM 852 CB ASP A 58 -30.098 -4.449 6.445 1.00 74.23 C ATOM 853 CG ASP A 58 -29.834 -5.092 7.791 1.00 42.34 C ATOM 854 OD1 ASP A 58 -30.545 -6.058 8.137 1.00 52.45 O ATOM 855 OD2 ASP A 58 -28.916 -4.629 8.501 1.00 60.24 O1- ATOM 0 H ASP A 58 -30.669 -6.533 5.013 1.00 1.23 H new ATOM 0 HA ASP A 58 -32.225 -4.659 6.666 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -29.330 -4.764 5.738 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -30.018 -3.366 6.541 1.00 74.23 H new ATOM 860 N LEU A 59 -33.109 -3.717 4.462 1.00 1.10 N ATOM 861 CA LEU A 59 -33.567 -2.869 3.367 1.00 32.31 C ATOM 862 C LEU A 59 -33.056 -1.441 3.531 1.00 22.24 C ATOM 863 O LEU A 59 -32.703 -0.780 2.555 1.00 63.34 O ATOM 864 CB LEU A 59 -35.095 -2.872 3.298 1.00 63.13 C ATOM 865 CG LEU A 59 -35.774 -4.229 3.488 1.00 21.11 C ATOM 866 CD1 LEU A 59 -36.310 -4.364 4.905 1.00 3.32 C ATOM 867 CD2 LEU A 59 -36.892 -4.413 2.472 1.00 13.30 C ATOM 0 H LEU A 59 -33.859 -4.148 5.003 1.00 1.10 H new ATOM 0 HA LEU A 59 -33.167 -3.273 2.437 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.474 -2.189 4.058 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -35.396 -2.470 2.330 1.00 63.13 H new ATOM 0 HG LEU A 59 -35.032 -5.011 3.327 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -36.790 -5.336 5.021 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -35.487 -4.278 5.615 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -37.038 -3.575 5.095 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -37.364 -5.384 2.622 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -37.634 -3.625 2.601 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -36.480 -4.362 1.464 1.00 13.30 H new ATOM 879 N LEU A 60 -33.017 -0.973 4.775 1.00 4.23 N ATOM 880 CA LEU A 60 -32.547 0.376 5.068 1.00 33.23 C ATOM 881 C LEU A 60 -33.454 1.422 4.426 1.00 4.21 C ATOM 882 O LEU A 60 -33.087 2.591 4.312 1.00 64.02 O ATOM 883 CB LEU A 60 -31.111 0.557 4.573 1.00 0.12 C ATOM 884 CG LEU A 60 -30.115 -0.527 4.992 1.00 74.51 C ATOM 885 CD1 LEU A 60 -29.159 -0.841 3.852 1.00 63.21 C ATOM 886 CD2 LEU A 60 -29.347 -0.093 6.232 1.00 1.41 C ATOM 0 H LEU A 60 -33.305 -1.507 5.595 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.572 0.515 6.149 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.127 0.607 3.484 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -30.743 1.519 4.931 1.00 0.12 H new ATOM 0 HG LEU A 60 -30.671 -1.433 5.232 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.458 -1.614 4.167 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.725 -1.194 2.990 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.608 0.060 3.580 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -28.643 -0.875 6.516 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -28.801 0.826 6.019 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -30.046 0.081 7.050 1.00 1.41 H new ATOM 898 N VAL A 61 -34.641 0.991 4.009 1.00 0.20 N ATOM 899 CA VAL A 61 -35.602 1.890 3.381 1.00 71.21 C ATOM 900 C VAL A 61 -37.032 1.427 3.632 1.00 70.32 C ATOM 901 O VAL A 61 -37.374 0.273 3.382 1.00 31.11 O ATOM 902 CB VAL A 61 -35.365 1.992 1.862 1.00 31.34 C ATOM 903 CG1 VAL A 61 -36.467 2.808 1.204 1.00 4.22 C ATOM 904 CG2 VAL A 61 -33.999 2.597 1.575 1.00 2.31 C ATOM 0 H VAL A 61 -34.960 0.026 4.095 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.458 2.873 3.830 1.00 71.21 H new ATOM 0 HB VAL A 61 -35.388 0.987 1.440 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -36.283 2.869 0.131 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -37.430 2.328 1.380 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -36.479 3.812 1.628 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -33.849 2.661 0.497 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -33.945 3.595 2.009 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -33.223 1.968 2.013 1.00 2.31 H new ATOM 914 N GLY A 62 -37.865 2.338 4.127 1.00 71.04 N ATOM 915 CA GLY A 62 -39.250 2.003 4.405 1.00 31.12 C ATOM 916 C GLY A 62 -40.190 2.484 3.316 1.00 34.53 C ATOM 917 O GLY A 62 -40.504 3.672 3.236 1.00 41.31 O ATOM 0 H GLY A 62 -37.606 3.301 4.340 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.345 0.923 4.513 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.544 2.445 5.357 1.00 31.12 H new ATOM 921 N LYS A 63 -40.640 1.560 2.476 1.00 64.14 N ATOM 922 CA LYS A 63 -41.550 1.893 1.386 1.00 33.22 C ATOM 923 C LYS A 63 -42.606 0.807 1.205 1.00 20.52 C ATOM 924 O LYS A 63 -42.282 -0.340 0.895 1.00 13.53 O ATOM 925 CB LYS A 63 -40.771 2.084 0.084 1.00 74.02 C ATOM 926 CG LYS A 63 -39.933 3.351 0.056 1.00 20.40 C ATOM 927 CD LYS A 63 -39.683 3.824 -1.366 1.00 71.32 C ATOM 928 CE LYS A 63 -38.738 2.890 -2.106 1.00 42.40 C ATOM 929 NZ LYS A 63 -39.474 1.867 -2.897 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.389 0.573 2.529 1.00 64.14 H new ATOM 0 HA LYS A 63 -42.054 2.825 1.641 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -40.119 1.224 -0.069 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -41.473 2.104 -0.750 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -40.440 4.136 0.617 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -38.980 3.169 0.552 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -40.630 3.885 -1.902 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -39.262 4.829 -1.347 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -38.099 3.472 -2.770 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -38.084 2.393 -1.389 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -38.833 1.444 -3.598 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -39.829 1.125 -2.260 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -40.275 2.316 -3.386 1.00 61.51 H new ATOM 943 N VAL A 64 -43.868 1.174 1.400 1.00 71.05 N ATOM 944 CA VAL A 64 -44.970 0.231 1.255 1.00 72.21 C ATOM 945 C VAL A 64 -46.269 0.952 0.914 1.00 72.14 C ATOM 946 O VAL A 64 -46.666 1.897 1.598 1.00 61.31 O ATOM 947 CB VAL A 64 -45.174 -0.594 2.539 1.00 41.14 C ATOM 948 CG1 VAL A 64 -44.158 -1.723 2.617 1.00 41.34 C ATOM 949 CG2 VAL A 64 -45.085 0.301 3.766 1.00 71.41 C ATOM 0 H VAL A 64 -44.153 2.119 1.659 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.707 -0.441 0.438 1.00 72.21 H new ATOM 0 HB VAL A 64 -46.170 -1.036 2.511 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.318 -2.294 3.531 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -44.275 -2.378 1.754 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -43.151 -1.306 2.622 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.231 -0.298 4.665 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -44.104 0.774 3.801 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -45.856 1.069 3.713 1.00 71.41 H new ATOM 959 N THR A 65 -46.929 0.501 -0.147 1.00 75.31 N ATOM 960 CA THR A 65 -48.184 1.102 -0.580 1.00 21.11 C ATOM 961 C THR A 65 -49.378 0.266 -0.132 1.00 50.33 C ATOM 962 O THR A 65 -49.258 -0.922 0.164 1.00 22.30 O ATOM 963 CB THR A 65 -48.231 1.264 -2.111 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.433 0.254 -2.736 1.00 52.43 O ATOM 965 CG2 THR A 65 -47.731 2.640 -2.525 1.00 65.41 C ATOM 0 H THR A 65 -46.615 -0.280 -0.723 1.00 75.31 H new ATOM 0 HA THR A 65 -48.239 2.087 -0.116 1.00 21.11 H new ATOM 0 HB THR A 65 -49.267 1.158 -2.433 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.470 0.363 -3.709 1.00 52.43 H new ATOM 0 HG21 THR A 65 -47.773 2.731 -3.610 1.00 65.41 H new ATOM 0 HG22 THR A 65 -48.359 3.407 -2.072 1.00 65.41 H new ATOM 0 HG23 THR A 65 -46.702 2.769 -2.190 1.00 65.41 H new ATOM 973 N PRO A 66 -50.560 0.899 -0.083 1.00 71.34 N ATOM 974 CA PRO A 66 -51.799 0.232 0.325 1.00 72.00 C ATOM 975 C PRO A 66 -52.276 -0.786 -0.705 1.00 31.14 C ATOM 976 O PRO A 66 -51.895 -0.727 -1.874 1.00 4.01 O ATOM 977 CB PRO A 66 -52.800 1.384 0.443 1.00 54.11 C ATOM 978 CG PRO A 66 -52.275 2.437 -0.471 1.00 72.32 C ATOM 979 CD PRO A 66 -50.777 2.315 -0.424 1.00 51.54 C ATOM 0 HA PRO A 66 -51.672 -0.336 1.247 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.802 1.069 0.151 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.867 1.747 1.469 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.647 2.294 -1.486 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.596 3.428 -0.150 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.323 2.572 -1.381 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.343 2.979 0.323 1.00 51.54 H new ATOM 987 N LYS A 67 -53.115 -1.719 -0.263 1.00 13.34 N ATOM 988 CA LYS A 67 -53.646 -2.749 -1.147 1.00 22.03 C ATOM 989 C LYS A 67 -55.171 -2.764 -1.110 1.00 61.40 C ATOM 990 O LYS A 67 -55.788 -2.095 -0.282 1.00 45.12 O ATOM 991 CB LYS A 67 -53.103 -4.123 -0.747 1.00 13.12 C ATOM 992 CG LYS A 67 -51.707 -4.402 -1.277 1.00 24.12 C ATOM 993 CD LYS A 67 -51.236 -5.796 -0.899 1.00 43.33 C ATOM 994 CE LYS A 67 -51.939 -6.865 -1.721 1.00 51.24 C ATOM 995 NZ LYS A 67 -51.292 -7.059 -3.048 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.441 -1.782 0.702 1.00 13.34 H new ATOM 0 HA LYS A 67 -53.326 -2.520 -2.164 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -53.092 -4.198 0.340 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.782 -4.893 -1.112 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -51.701 -4.296 -2.362 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -51.012 -3.662 -0.881 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -50.159 -5.870 -1.049 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -51.423 -5.969 0.161 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -51.933 -7.807 -1.173 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -52.983 -6.586 -1.863 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -51.800 -7.796 -3.578 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -51.320 -6.167 -3.582 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -50.303 -7.350 -2.913 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.773 -3.532 -2.012 1.00 41.33 N ATOM 1010 CA GLY A 68 -57.222 -3.619 -2.064 1.00 62.55 C ATOM 1011 C GLY A 68 -57.733 -4.991 -1.672 1.00 22.32 C ATOM 1012 O GLY A 68 -57.022 -5.988 -1.802 1.00 24.52 O ATOM 0 H GLY A 68 -55.284 -4.096 -2.708 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -57.652 -2.870 -1.399 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -57.562 -3.382 -3.072 1.00 62.55 H new ATOM 1355 N VAL A 90 -51.122 -4.435 2.930 1.00 14.00 N ATOM 1356 CA VAL A 90 -50.380 -3.554 2.037 1.00 43.15 C ATOM 1357 C VAL A 90 -49.406 -4.342 1.169 1.00 34.22 C ATOM 1358 O VAL A 90 -49.297 -5.562 1.292 1.00 14.45 O ATOM 1359 CB VAL A 90 -49.599 -2.486 2.825 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -50.539 -1.408 3.343 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -48.827 -3.126 3.969 1.00 63.51 C ATOM 0 HA VAL A 90 -51.113 -3.061 1.398 1.00 43.15 H new ATOM 0 HB VAL A 90 -48.883 -2.016 2.151 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -49.968 -0.663 3.897 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -51.042 -0.929 2.503 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -51.282 -1.859 4.001 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -48.281 -2.357 4.515 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -49.523 -3.625 4.643 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -48.123 -3.856 3.569 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.701 -3.638 0.290 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.737 -4.272 -0.601 1.00 3.45 C ATOM 1373 C ARG A 91 -46.309 -3.897 -0.213 1.00 15.52 C ATOM 1374 O ARG A 91 -45.987 -2.718 -0.060 1.00 10.53 O ATOM 1375 CB ARG A 91 -48.006 -3.868 -2.051 1.00 35.24 C ATOM 1376 CG ARG A 91 -47.169 -4.634 -3.062 1.00 1.41 C ATOM 1377 CD ARG A 91 -47.295 -4.039 -4.455 1.00 62.05 C ATOM 1378 NE ARG A 91 -48.416 -4.612 -5.196 1.00 32.31 N ATOM 1379 CZ ARG A 91 -48.409 -5.840 -5.704 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -47.347 -6.619 -5.551 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -49.467 -6.291 -6.366 1.00 63.42 N ATOM 0 H ARG A 91 -48.779 -2.627 0.176 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.849 -5.352 -0.506 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -49.062 -4.024 -2.273 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -47.811 -2.802 -2.164 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -46.124 -4.623 -2.754 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -47.484 -5.677 -3.081 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -47.426 -2.960 -4.378 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -46.371 -4.210 -5.007 1.00 62.05 H new ATOM 0 HE ARG A 91 -49.249 -4.039 -5.331 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -46.532 -6.276 -5.042 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -47.345 -7.561 -5.942 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -50.286 -5.695 -6.485 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -49.461 -7.234 -6.756 1.00 63.42 H new ATOM 1395 N ASP A 92 -45.460 -4.905 -0.054 1.00 43.34 N ATOM 1396 CA ASP A 92 -44.067 -4.680 0.316 1.00 22.20 C ATOM 1397 C ASP A 92 -43.263 -4.174 -0.878 1.00 4.24 C ATOM 1398 O ASP A 92 -42.801 -4.957 -1.708 1.00 43.15 O ATOM 1399 CB ASP A 92 -43.445 -5.970 0.854 1.00 42.30 C ATOM 1400 CG ASP A 92 -43.737 -7.166 -0.030 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -44.863 -7.699 0.047 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -42.839 -7.569 -0.799 1.00 53.42 O1- ATOM 0 H ASP A 92 -45.711 -5.886 -0.175 1.00 43.34 H new ATOM 0 HA ASP A 92 -44.043 -3.920 1.097 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -42.366 -5.841 0.941 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -43.825 -6.162 1.857 1.00 42.30 H new ATOM 1407 N THR A 93 -43.100 -2.856 -0.958 1.00 3.24 N ATOM 1408 CA THR A 93 -42.354 -2.244 -2.051 1.00 15.11 C ATOM 1409 C THR A 93 -41.094 -1.556 -1.539 1.00 15.23 C ATOM 1410 O THR A 93 -40.752 -0.459 -1.979 1.00 31.43 O ATOM 1411 CB THR A 93 -43.214 -1.216 -2.811 1.00 51.14 C ATOM 1412 OG1 THR A 93 -43.368 -0.030 -2.025 1.00 20.55 O ATOM 1413 CG2 THR A 93 -44.583 -1.793 -3.141 1.00 32.22 C ATOM 0 H THR A 93 -43.474 -2.193 -0.279 1.00 3.24 H new ATOM 0 HA THR A 93 -42.074 -3.048 -2.732 1.00 15.11 H new ATOM 0 HB THR A 93 -42.707 -0.970 -3.744 1.00 51.14 H new ATOM 0 HG1 THR A 93 -42.524 0.468 -2.015 1.00 20.55 H new ATOM 0 HG21 THR A 93 -45.172 -1.049 -3.677 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.464 -2.679 -3.764 1.00 32.22 H new ATOM 0 HG23 THR A 93 -45.095 -2.065 -2.218 1.00 32.22 H new ATOM 1421 N SER A 94 -40.407 -2.209 -0.608 1.00 41.23 N ATOM 1422 CA SER A 94 -39.184 -1.658 -0.034 1.00 71.52 C ATOM 1423 C SER A 94 -37.985 -1.942 -0.932 1.00 43.33 C ATOM 1424 O SER A 94 -38.080 -2.714 -1.887 1.00 3.02 O ATOM 1425 CB SER A 94 -38.942 -2.241 1.360 1.00 20.52 C ATOM 1426 OG SER A 94 -39.938 -1.814 2.273 1.00 2.23 O ATOM 0 H SER A 94 -40.676 -3.120 -0.235 1.00 41.23 H new ATOM 0 HA SER A 94 -39.306 -0.578 0.048 1.00 71.52 H new ATOM 0 HB2 SER A 94 -38.937 -3.330 1.306 1.00 20.52 H new ATOM 0 HB3 SER A 94 -37.960 -1.935 1.720 1.00 20.52 H new ATOM 0 HG SER A 94 -40.660 -1.368 1.784 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.858 -1.312 -0.620 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.639 -1.496 -1.399 1.00 34.44 C ATOM 1434 C LEU A 95 -34.992 -2.843 -1.089 1.00 62.22 C ATOM 1435 O LEU A 95 -35.107 -3.355 0.024 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.650 -0.365 -1.110 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.215 -0.589 -1.588 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -32.578 0.727 -2.006 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -32.390 -1.261 -0.499 1.00 61.44 C ATOM 0 H LEU A 95 -36.763 -0.670 0.167 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.906 -1.476 -2.455 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -35.027 0.547 -1.572 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -34.630 -0.193 -0.034 1.00 53.31 H new ATOM 0 HG LEU A 95 -33.241 -1.247 -2.457 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -31.557 0.546 -2.343 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -33.155 1.169 -2.818 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -32.564 1.410 -1.157 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -31.371 -1.413 -0.856 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.373 -0.627 0.388 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -32.834 -2.224 -0.248 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.312 -3.409 -2.081 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.647 -4.696 -1.913 1.00 2.41 C ATOM 1453 C ARG A 96 -32.161 -4.505 -1.618 1.00 14.45 C ATOM 1454 O ARG A 96 -31.475 -3.743 -2.298 1.00 63.30 O ATOM 1455 CB ARG A 96 -33.822 -5.551 -3.169 1.00 44.25 C ATOM 1456 CG ARG A 96 -35.164 -6.262 -3.240 1.00 63.41 C ATOM 1457 CD ARG A 96 -35.164 -7.535 -2.407 1.00 52.41 C ATOM 1458 NE ARG A 96 -36.422 -8.267 -2.527 1.00 50.34 N ATOM 1459 CZ ARG A 96 -36.795 -9.231 -1.693 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -36.009 -9.576 -0.682 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -37.954 -9.851 -1.867 1.00 2.33 N ATOM 0 H ARG A 96 -34.207 -2.997 -3.008 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.106 -5.207 -1.066 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -33.709 -4.917 -4.048 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -33.025 -6.293 -3.207 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -35.950 -5.595 -2.887 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -35.394 -6.505 -4.277 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -34.340 -8.175 -2.723 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -34.989 -7.284 -1.361 1.00 52.41 H new ATOM 0 HE ARG A 96 -37.049 -8.024 -3.294 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -35.117 -9.101 -0.544 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -36.297 -10.316 -0.042 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -38.562 -9.588 -2.643 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -38.238 -10.591 -1.225 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.672 -5.203 -0.599 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.269 -5.112 -0.213 1.00 32.11 C ATOM 1477 C VAL A 97 -29.584 -6.471 -0.305 1.00 2.42 C ATOM 1478 O VAL A 97 -30.087 -7.482 0.185 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.114 -4.569 1.220 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.746 -4.925 1.782 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.335 -3.063 1.244 1.00 52.15 C ATOM 0 H VAL A 97 -32.227 -5.838 -0.025 1.00 32.32 H new ATOM 0 HA VAL A 97 -29.795 -4.420 -0.909 1.00 32.11 H new ATOM 0 HB VAL A 97 -30.871 -5.035 1.851 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.656 -4.533 2.795 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.631 -6.009 1.801 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -27.970 -4.489 1.153 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -30.222 -2.695 2.264 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -29.602 -2.577 0.600 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.339 -2.837 0.886 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.407 -6.499 -0.950 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.627 -7.727 -1.121 1.00 3.14 C ATOM 1493 C PRO A 98 -27.031 -8.224 0.191 1.00 31.21 C ATOM 1494 O PRO A 98 -26.877 -7.458 1.143 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.517 -7.310 -2.089 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.373 -5.841 -1.890 1.00 31.15 C ATOM 1497 CD PRO A 98 -27.749 -5.331 -1.559 1.00 23.22 C ATOM 0 HA PRO A 98 -28.240 -8.552 -1.484 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.585 -7.832 -1.871 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -26.781 -7.546 -3.120 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.672 -5.623 -1.084 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -25.985 -5.362 -2.789 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.710 -4.487 -0.870 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.277 -4.991 -2.450 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.696 -9.510 0.235 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.115 -10.107 1.433 1.00 40.20 C ATOM 1507 C HIS A 99 -24.743 -9.509 1.727 1.00 23.32 C ATOM 1508 O HIS A 99 -23.902 -9.390 0.837 1.00 3.54 O ATOM 1509 CB HIS A 99 -26.000 -11.623 1.266 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.286 -12.297 2.397 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -25.325 -12.066 3.731 1.00 22.30 N flip ATOM 1512 CD2 HIS A 99 -24.407 -13.344 2.216 1.00 12.11 C flip ATOM 1513 CE1 HIS A 99 -24.478 -12.970 4.324 1.00 51.45 C flip ATOM 1514 NE2 HIS A 99 -23.937 -13.729 3.389 1.00 54.33 N flip ATOM 0 H HIS A 99 -26.817 -10.158 -0.544 1.00 2.03 H new ATOM 0 HA HIS A 99 -26.773 -9.890 2.275 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -27.000 -12.047 1.174 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -25.475 -11.839 0.335 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -24.144 -13.781 1.264 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -24.286 -13.047 5.384 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -23.270 -14.484 3.546 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.525 -9.133 2.984 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.253 -8.552 3.373 1.00 34.40 C ATOM 1524 C GLY A 100 -23.195 -7.058 3.114 1.00 32.53 C ATOM 1525 O GLY A 100 -22.839 -6.282 3.999 1.00 13.43 O ATOM 0 H GLY A 100 -25.206 -9.220 3.739 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.079 -8.741 4.432 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.449 -9.044 2.825 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.545 -6.657 1.896 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.522 -5.249 1.544 1.00 63.32 C ATOM 1531 C GLY A 101 -22.164 -4.798 1.044 1.00 13.11 C ATOM 1532 O GLY A 101 -22.072 -3.957 0.153 1.00 41.12 O ATOM 0 H GLY A 101 -23.844 -7.281 1.147 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.271 -5.058 0.775 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -23.801 -4.655 2.415 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.106 -5.359 1.622 1.00 35.30 N ATOM 1537 CA GLY A 102 -19.760 -4.995 1.218 1.00 42.33 C ATOM 1538 C GLY A 102 -19.193 -3.860 2.047 1.00 11.11 C ATOM 1539 O GLY A 102 -18.009 -3.857 2.380 1.00 65.03 O ATOM 0 H GLY A 102 -21.157 -6.059 2.362 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.110 -5.865 1.306 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -19.765 -4.706 0.167 1.00 42.33 H new ATOM 1543 N GLY A 103 -20.041 -2.891 2.380 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.598 -1.757 3.170 1.00 70.24 C ATOM 1545 C GLY A 103 -20.545 -1.440 4.311 1.00 14.31 C ATOM 1546 O GLY A 103 -21.303 -2.303 4.755 1.00 75.45 O ATOM 0 H GLY A 103 -21.026 -2.871 2.117 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.606 -1.963 3.572 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.505 -0.883 2.525 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.501 -0.200 4.786 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.362 0.228 5.881 1.00 73.30 C ATOM 1552 C ILE A 104 -22.022 1.567 5.571 1.00 61.32 C ATOM 1553 O ILE A 104 -21.450 2.407 4.875 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.576 0.350 7.201 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -19.801 -0.940 7.479 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.519 0.666 8.352 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -18.867 -0.840 8.665 1.00 42.35 C ATOM 0 H ILE A 104 -19.879 0.525 4.430 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.131 -0.536 5.994 1.00 73.30 H new ATOM 0 HB ILE A 104 -19.862 1.168 7.107 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -20.510 -1.750 7.652 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.224 -1.205 6.593 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -20.949 0.749 9.277 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -22.030 1.608 8.155 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.254 -0.133 8.450 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.351 -1.790 8.803 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -18.135 -0.052 8.486 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.441 -0.605 9.561 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.228 1.761 6.092 1.00 72.41 N ATOM 1570 CA ILE A 105 -23.965 2.999 5.873 1.00 11.13 C ATOM 1571 C ILE A 105 -23.257 4.183 6.522 1.00 43.31 C ATOM 1572 O ILE A 105 -23.338 4.382 7.734 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.399 2.907 6.429 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -26.093 1.650 5.902 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -26.192 4.152 6.056 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.301 1.656 4.404 1.00 11.11 C ATOM 0 H ILE A 105 -23.716 1.076 6.669 1.00 72.41 H new ATOM 0 HA ILE A 105 -24.010 3.152 4.795 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.349 2.843 7.516 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.500 0.777 6.175 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -27.060 1.546 6.394 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -27.203 4.073 6.456 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.705 5.033 6.474 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.237 4.243 4.971 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -26.798 0.734 4.102 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -26.919 2.510 4.126 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.336 1.729 3.903 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.561 4.969 5.705 1.00 44.11 N ATOM 1589 CA HIS A 106 -21.839 6.136 6.199 1.00 34.34 C ATOM 1590 C HIS A 106 -22.570 7.423 5.831 1.00 52.02 C ATOM 1591 O HIS A 106 -22.501 8.417 6.555 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.418 6.161 5.632 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.480 7.035 6.405 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -18.935 8.194 5.892 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.991 6.915 7.661 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.150 8.747 6.799 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -18.167 7.992 7.882 1.00 4.01 N ATOM 0 H HIS A 106 -22.482 4.819 4.699 1.00 44.11 H new ATOM 0 HA HIS A 106 -21.787 6.067 7.286 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -20.024 5.145 5.616 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.454 6.506 4.599 1.00 22.33 H new ATOM 0 HD2 HIS A 106 -19.208 6.121 8.360 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -17.589 9.662 6.676 1.00 70.15 H new ATOM 0 HE2 HIS A 106 -17.652 8.178 8.743 1.00 4.01 H new ATOM 1605 N ASP A 107 -23.266 7.399 4.700 1.00 2.53 N ATOM 1606 CA ASP A 107 -24.010 8.564 4.234 1.00 2.33 C ATOM 1607 C ASP A 107 -25.348 8.150 3.631 1.00 53.53 C ATOM 1608 O ASP A 107 -25.486 7.048 3.098 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.190 9.342 3.204 1.00 13.01 C ATOM 1610 CG ASP A 107 -22.376 10.456 3.832 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -21.615 10.172 4.780 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -22.502 11.612 3.375 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.331 6.585 4.088 1.00 2.53 H new ATOM 0 HA ASP A 107 -24.203 9.207 5.093 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -22.521 8.656 2.684 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -23.860 9.764 2.455 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.332 9.038 3.718 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.659 8.764 3.181 1.00 11.03 C ATOM 1619 C VAL A 108 -28.349 10.050 2.737 1.00 62.13 C ATOM 1620 O VAL A 108 -28.530 10.976 3.529 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.548 8.050 4.216 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -29.946 7.829 3.658 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -27.918 6.730 4.636 1.00 33.40 C ATOM 0 H VAL A 108 -26.235 9.954 4.156 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.522 8.111 2.319 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.632 8.685 5.098 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.560 7.323 4.404 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.395 8.791 3.410 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -29.886 7.214 2.760 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.559 6.238 5.368 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -27.804 6.087 3.763 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -26.940 6.918 5.078 1.00 33.40 H new ATOM 1633 N LYS A 109 -28.733 10.102 1.467 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.405 11.273 0.916 1.00 64.22 C ATOM 1635 C LYS A 109 -30.910 11.044 0.823 1.00 55.52 C ATOM 1636 O LYS A 109 -31.360 10.009 0.331 1.00 53.24 O ATOM 1637 CB LYS A 109 -28.841 11.607 -0.467 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.629 12.521 -0.426 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.022 13.978 -0.595 1.00 43.23 C ATOM 1640 CE LYS A 109 -27.998 14.720 0.732 1.00 25.43 C ATOM 1641 NZ LYS A 109 -29.362 14.866 1.312 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.590 9.345 0.798 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.225 12.113 1.587 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.570 10.680 -0.973 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.621 12.079 -1.064 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.107 12.392 0.522 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -26.932 12.238 -1.215 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -27.340 14.461 -1.295 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.020 14.039 -1.029 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -27.360 14.185 1.435 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -27.557 15.706 0.588 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -29.675 15.853 1.219 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -30.023 14.244 0.805 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -29.341 14.603 2.318 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.683 12.016 1.297 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.137 11.920 1.263 1.00 62.24 C ATOM 1657 C VAL A 110 -33.765 13.246 0.849 1.00 62.33 C ATOM 1658 O VAL A 110 -33.474 14.291 1.430 1.00 72.31 O ATOM 1659 CB VAL A 110 -33.704 11.500 2.633 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.294 12.496 3.707 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.218 11.370 2.565 1.00 54.34 C ATOM 0 H VAL A 110 -31.326 12.878 1.709 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.387 11.157 0.526 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.290 10.527 2.896 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -33.703 12.184 4.668 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.207 12.535 3.771 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.678 13.484 3.453 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.602 11.073 3.541 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.653 12.328 2.280 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.486 10.616 1.825 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.631 13.196 -0.158 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.301 14.393 -0.651 1.00 61.30 C ATOM 1673 C PHE A 111 -36.798 14.338 -0.359 1.00 14.04 C ATOM 1674 O PHE A 111 -37.454 13.330 -0.618 1.00 54.20 O ATOM 1675 CB PHE A 111 -35.069 14.551 -2.155 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.642 14.327 -2.568 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.607 14.964 -1.903 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.337 13.481 -3.622 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.294 14.760 -2.281 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -32.025 13.274 -4.005 1.00 44.30 C ATOM 1681 CZ PHE A 111 -31.002 13.913 -3.333 1.00 45.00 C ATOM 0 H PHE A 111 -34.885 12.339 -0.649 1.00 31.14 H new ATOM 0 HA PHE A 111 -34.879 15.254 -0.133 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.708 13.848 -2.689 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.374 15.553 -2.458 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -32.829 15.627 -1.080 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -34.133 12.978 -4.150 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.496 15.262 -1.754 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.800 12.613 -4.829 1.00 44.30 H new ATOM 0 HZ PHE A 111 -29.976 13.751 -3.629 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.330 15.428 0.183 1.00 50.25 N ATOM 1692 CA ASN A 112 -38.749 15.504 0.512 1.00 72.43 C ATOM 1693 C ASN A 112 -39.416 16.666 -0.219 1.00 13.34 C ATOM 1694 O ASN A 112 -38.806 17.716 -0.423 1.00 60.11 O ATOM 1695 CB ASN A 112 -38.936 15.662 2.022 1.00 64.11 C ATOM 1696 CG ASN A 112 -40.256 15.093 2.503 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -40.992 14.469 1.739 1.00 74.51 O ATOM 1698 ND2 ASN A 112 -40.562 15.306 3.778 1.00 45.40 N ATOM 0 H ASN A 112 -36.800 16.271 0.404 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.221 14.576 0.189 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -38.118 15.163 2.541 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -38.882 16.719 2.284 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -41.437 14.947 4.159 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -39.922 15.829 4.376 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.670 16.470 -0.611 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.419 17.501 -1.319 1.00 53.42 C ATOM 1707 C ARG A 113 -41.649 18.716 -0.426 1.00 54.43 C ATOM 1708 O ARG A 113 -41.675 19.851 -0.901 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.762 16.947 -1.800 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.746 16.674 -0.674 1.00 1.01 C ATOM 1711 CD ARG A 113 -44.689 15.533 -1.024 1.00 10.22 C ATOM 1712 NE ARG A 113 -46.051 15.788 -0.560 1.00 43.12 N ATOM 1713 CZ ARG A 113 -46.997 14.856 -0.512 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -46.730 13.615 -0.895 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -48.212 15.165 -0.078 1.00 54.41 N ATOM 0 H ARG A 113 -41.189 15.607 -0.450 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.832 17.812 -2.183 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -43.209 17.655 -2.498 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -42.588 16.023 -2.351 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -43.200 16.430 0.237 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -44.324 17.575 -0.467 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -44.695 15.386 -2.104 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -44.321 14.609 -0.579 1.00 10.22 H new ATOM 0 HE ARG A 113 -46.288 16.732 -0.257 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -45.796 13.374 -1.228 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -47.458 12.902 -0.857 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -48.420 16.118 0.219 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -48.938 14.449 -0.041 1.00 54.41 H new ATOM 1729 N GLU A 114 -41.817 18.469 0.870 1.00 1.14 N ATOM 1730 CA GLU A 114 -42.047 19.544 1.828 1.00 4.11 C ATOM 1731 C GLU A 114 -40.857 20.498 1.871 1.00 41.23 C ATOM 1732 O GLU A 114 -40.998 21.667 2.228 1.00 33.03 O ATOM 1733 CB GLU A 114 -42.304 18.968 3.223 1.00 54.33 C ATOM 1734 CG GLU A 114 -43.633 18.243 3.346 1.00 44.41 C ATOM 1735 CD GLU A 114 -43.991 17.921 4.784 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -43.470 18.601 5.692 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -44.794 16.989 5.001 1.00 73.01 O1- ATOM 0 H GLU A 114 -41.798 17.535 1.280 1.00 1.14 H new ATOM 0 HA GLU A 114 -42.926 20.102 1.505 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -41.499 18.278 3.476 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -42.272 19.777 3.953 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -44.420 18.858 2.909 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -43.593 17.319 2.770 1.00 44.41 H new ATOM 1744 N ASP A 115 -39.685 19.989 1.507 1.00 61.31 N ATOM 1745 CA ASP A 115 -38.470 20.795 1.503 1.00 32.24 C ATOM 1746 C ASP A 115 -38.470 21.773 0.334 1.00 43.43 C ATOM 1747 O ASP A 115 -37.770 22.785 0.357 1.00 43.12 O ATOM 1748 CB ASP A 115 -37.235 19.894 1.431 1.00 53.53 C ATOM 1749 CG ASP A 115 -35.942 20.672 1.570 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -35.876 21.561 2.445 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -34.997 20.395 0.803 1.00 32.32 O1- ATOM 0 H ASP A 115 -39.551 19.022 1.211 1.00 61.31 H new ATOM 0 HA ASP A 115 -38.440 21.367 2.431 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -37.290 19.143 2.219 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -37.234 19.360 0.481 1.00 53.53 H new ATOM 1756 N GLY A 116 -39.261 21.464 -0.690 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.336 22.326 -1.856 1.00 23.20 C ATOM 1758 C GLY A 116 -38.656 21.721 -3.069 1.00 2.22 C ATOM 1759 O GLY A 116 -38.355 22.424 -4.034 1.00 55.14 O ATOM 0 H GLY A 116 -39.851 20.633 -0.733 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.382 22.524 -2.091 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -38.874 23.286 -1.625 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.415 20.416 -3.019 1.00 71.14 N ATOM 1764 CA ASP A 117 -37.766 19.717 -4.122 1.00 22.33 C ATOM 1765 C ASP A 117 -38.801 19.122 -5.072 1.00 23.13 C ATOM 1766 O ASP A 117 -39.704 18.402 -4.648 1.00 55.15 O ATOM 1767 CB ASP A 117 -36.852 18.613 -3.588 1.00 15.40 C ATOM 1768 CG ASP A 117 -36.293 17.738 -4.692 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -35.382 18.199 -5.410 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -36.768 16.592 -4.839 1.00 42.23 O1- ATOM 0 H ASP A 117 -38.659 19.821 -2.227 1.00 71.14 H new ATOM 0 HA ASP A 117 -37.165 20.440 -4.674 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -36.029 19.064 -3.034 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -37.408 17.994 -2.884 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.662 19.428 -6.358 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.587 18.923 -7.367 1.00 23.12 C ATOM 1777 C GLU A 118 -39.269 17.473 -7.721 1.00 62.43 C ATOM 1778 O GLU A 118 -38.105 17.074 -7.762 1.00 43.24 O ATOM 1779 CB GLU A 118 -39.526 19.792 -8.625 1.00 34.24 C ATOM 1780 CG GLU A 118 -40.597 19.456 -9.649 1.00 62.21 C ATOM 1781 CD GLU A 118 -40.453 20.255 -10.929 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -40.856 21.437 -10.939 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -39.937 19.698 -11.921 1.00 0.43 O1- ATOM 0 H GLU A 118 -37.919 20.022 -6.726 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.594 18.964 -6.953 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -39.625 20.839 -8.338 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -38.545 19.679 -9.087 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -40.550 18.392 -9.882 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -41.580 19.644 -9.216 1.00 62.21 H new ATOM 1790 N LEU A 119 -40.312 16.690 -7.972 1.00 53.45 N ATOM 1791 CA LEU A 119 -40.146 15.284 -8.321 1.00 44.14 C ATOM 1792 C LEU A 119 -40.903 14.947 -9.602 1.00 13.41 C ATOM 1793 O LEU A 119 -41.835 15.644 -10.002 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.633 14.392 -7.178 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.642 14.164 -6.035 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -40.344 14.272 -4.690 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -38.968 12.807 -6.179 1.00 64.10 C ATOM 0 H LEU A 119 -41.282 17.005 -7.940 1.00 53.45 H new ATOM 0 HA LEU A 119 -39.085 15.101 -8.489 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.541 14.830 -6.763 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.908 13.422 -7.593 1.00 54.15 H new ATOM 0 HG LEU A 119 -38.875 14.937 -6.084 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -39.623 14.107 -3.889 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -40.781 15.265 -4.586 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -41.132 13.521 -4.629 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -38.266 12.660 -5.358 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -39.723 12.021 -6.155 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -38.431 12.766 -7.127 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.496 13.851 -10.260 1.00 20.10 N ATOM 1810 CA PRO A 120 -41.126 13.395 -11.503 1.00 0.40 C ATOM 1811 C PRO A 120 -42.533 12.857 -11.276 1.00 11.03 C ATOM 1812 O PRO A 120 -42.957 12.611 -10.147 1.00 42.43 O ATOM 1813 CB PRO A 120 -40.195 12.278 -11.981 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.534 11.779 -10.743 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.392 12.973 -9.839 1.00 64.30 C ATOM 0 HA PRO A 120 -41.246 14.206 -12.222 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.752 11.485 -12.479 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.463 12.652 -12.697 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -40.131 11.000 -10.269 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.561 11.343 -10.969 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.478 12.695 -8.789 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.423 13.458 -9.962 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.279 12.667 -12.375 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.651 12.154 -12.322 1.00 63.41 C ATOM 1825 C PRO A 121 -44.706 10.686 -11.913 1.00 74.12 C ATOM 1826 O PRO A 121 -44.098 9.830 -12.553 1.00 70.11 O ATOM 1827 CB PRO A 121 -45.151 12.328 -13.759 1.00 51.31 C ATOM 1828 CG PRO A 121 -43.918 12.310 -14.594 1.00 10.41 C ATOM 1829 CD PRO A 121 -42.839 12.939 -13.755 1.00 53.13 C ATOM 0 HA PRO A 121 -45.253 12.678 -11.580 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -45.832 11.525 -14.041 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.696 13.264 -13.878 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -43.651 11.291 -14.873 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -44.066 12.866 -15.520 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -41.863 12.499 -13.960 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -42.753 14.009 -13.946 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.440 10.402 -10.842 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.560 9.036 -10.366 1.00 45.50 C ATOM 1839 C GLY A 122 -44.742 8.783 -9.116 1.00 61.31 C ATOM 1840 O GLY A 122 -44.878 7.740 -8.476 1.00 64.21 O ATOM 0 H GLY A 122 -45.954 11.093 -10.295 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.608 8.817 -10.161 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -45.239 8.352 -11.151 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.888 9.740 -8.766 1.00 20.12 N ATOM 1845 CA VAL A 123 -43.043 9.615 -7.584 1.00 30.11 C ATOM 1846 C VAL A 123 -43.505 10.556 -6.477 1.00 42.43 C ATOM 1847 O VAL A 123 -43.954 11.670 -6.743 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.568 9.915 -7.915 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.712 9.830 -6.660 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -41.058 8.961 -8.984 1.00 34.10 C ATOM 0 H VAL A 123 -43.763 10.610 -9.284 1.00 20.12 H new ATOM 0 HA VAL A 123 -43.129 8.584 -7.240 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.500 10.931 -8.305 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.674 10.045 -6.913 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -41.065 10.557 -5.929 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.783 8.827 -6.238 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -40.015 9.187 -9.206 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -41.139 7.935 -8.625 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.654 9.076 -9.889 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.392 10.098 -5.234 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.799 10.899 -4.085 1.00 53.53 C ATOM 1862 C ASN A 124 -42.586 11.334 -3.269 1.00 53.12 C ATOM 1863 O ASN A 124 -42.561 12.431 -2.713 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.765 10.107 -3.202 1.00 43.21 C ATOM 1865 CG ASN A 124 -46.033 9.718 -3.937 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.318 10.229 -5.020 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.801 8.806 -3.351 1.00 3.04 N ATOM 0 H ASN A 124 -43.022 9.177 -4.997 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.304 11.791 -4.455 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.268 9.207 -2.840 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -45.024 10.702 -2.326 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.666 8.503 -3.799 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.526 8.409 -2.453 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.582 10.465 -3.200 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.367 10.759 -2.452 1.00 61.22 C ATOM 1876 C GLN A 125 -39.150 10.129 -3.120 1.00 32.52 C ATOM 1877 O GLN A 125 -39.282 9.285 -4.008 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.493 10.253 -1.013 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.245 11.205 -0.098 1.00 12.52 C ATOM 1880 CD GLN A 125 -42.510 10.593 0.469 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -42.789 10.706 1.663 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.286 9.939 -0.388 1.00 13.11 N ATOM 0 H GLN A 125 -41.587 9.551 -3.654 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.232 11.841 -2.439 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -41.002 9.289 -1.019 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.496 10.084 -0.607 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -40.593 11.506 0.722 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.500 12.109 -0.651 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -43.017 9.870 -1.369 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -44.151 9.506 -0.065 1.00 13.11 H new ATOM 1891 N LEU A 126 -37.963 10.542 -2.688 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.721 10.018 -3.245 1.00 42.24 C ATOM 1893 C LEU A 126 -35.648 9.899 -2.166 1.00 22.01 C ATOM 1894 O LEU A 126 -35.371 10.855 -1.443 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.225 10.921 -4.375 1.00 14.10 C ATOM 1896 CG LEU A 126 -35.203 10.301 -5.330 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.867 10.111 -4.631 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.717 8.977 -5.875 1.00 54.24 C ATOM 0 H LEU A 126 -37.835 11.238 -1.954 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.922 9.024 -3.644 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -37.087 11.246 -4.958 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.784 11.814 -3.932 1.00 14.10 H new ATOM 0 HG LEU A 126 -35.057 10.982 -6.168 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -33.153 9.669 -5.326 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.493 11.077 -4.292 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -33.996 9.450 -3.774 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -34.977 8.551 -6.552 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -35.893 8.287 -5.049 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.650 9.143 -6.414 1.00 54.24 H new ATOM 1910 N VAL A 127 -35.046 8.718 -2.067 1.00 20.53 N ATOM 1911 CA VAL A 127 -34.001 8.474 -1.079 1.00 45.13 C ATOM 1912 C VAL A 127 -32.965 7.488 -1.607 1.00 1.10 C ATOM 1913 O VAL A 127 -33.309 6.497 -2.252 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.589 7.929 0.236 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -35.413 6.678 -0.025 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -33.479 7.646 1.238 1.00 54.52 C ATOM 0 H VAL A 127 -35.264 7.916 -2.658 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.520 9.432 -0.884 1.00 45.13 H new ATOM 0 HB VAL A 127 -35.248 8.687 0.661 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -35.820 6.308 0.916 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -36.231 6.916 -0.705 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -34.780 5.912 -0.473 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -33.912 7.262 2.162 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -32.794 6.907 0.823 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -32.935 8.567 1.448 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.696 7.768 -1.330 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.609 6.906 -1.778 1.00 61.44 C ATOM 1928 C ARG A 128 -29.589 6.692 -0.663 1.00 20.05 C ATOM 1929 O ARG A 128 -29.278 7.614 0.093 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.921 7.511 -3.003 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.892 8.006 -4.063 1.00 2.30 C ATOM 1932 CD ARG A 128 -30.168 8.739 -5.182 1.00 44.25 C ATOM 1933 NE ARG A 128 -29.406 7.827 -6.031 1.00 42.20 N ATOM 1934 CZ ARG A 128 -28.928 8.160 -7.224 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -29.134 9.377 -7.709 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -28.245 7.274 -7.938 1.00 64.11 N ATOM 0 H ARG A 128 -31.395 8.585 -0.798 1.00 4.20 H new ATOM 0 HA ARG A 128 -31.034 5.940 -2.049 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.291 8.341 -2.683 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -29.263 6.764 -3.446 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -31.443 7.161 -4.477 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.625 8.671 -3.605 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -30.894 9.279 -5.790 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -29.496 9.482 -4.753 1.00 44.25 H new ATOM 0 HE ARG A 128 -29.231 6.882 -5.688 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -29.661 10.060 -7.165 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -28.765 9.630 -8.626 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -28.087 6.336 -7.570 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -27.878 7.531 -8.854 1.00 64.11 H new ATOM 1950 N VAL A 129 -29.071 5.471 -0.567 1.00 61.44 N ATOM 1951 CA VAL A 129 -28.087 5.137 0.456 1.00 71.52 C ATOM 1952 C VAL A 129 -26.677 5.124 -0.123 1.00 13.23 C ATOM 1953 O VAL A 129 -26.491 4.953 -1.328 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.382 3.766 1.092 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.527 2.685 0.450 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -28.152 3.816 2.595 1.00 62.34 C ATOM 0 H VAL A 129 -29.316 4.697 -1.185 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.154 5.907 1.224 1.00 71.52 H new ATOM 0 HB VAL A 129 -29.429 3.520 0.915 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -27.749 1.723 0.912 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -27.745 2.634 -0.617 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -26.473 2.922 0.594 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -28.365 2.839 3.028 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -27.115 4.083 2.796 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -28.811 4.562 3.039 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.686 5.305 0.742 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.292 5.315 0.316 1.00 2.11 C ATOM 1968 C TYR A 130 -23.458 4.351 1.155 1.00 50.21 C ATOM 1969 O TYR A 130 -23.259 4.565 2.352 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.716 6.729 0.422 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.247 7.679 -0.627 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.596 8.008 -0.676 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.400 8.249 -1.570 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -26.087 8.874 -1.633 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -23.882 9.118 -2.530 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.225 9.427 -2.558 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.709 10.293 -3.512 1.00 43.15 O ATOM 0 H TYR A 130 -25.822 5.447 1.743 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.254 4.990 -0.724 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -23.940 7.130 1.410 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.631 6.677 0.337 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.273 7.579 0.048 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.347 8.009 -1.552 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.139 9.117 -1.657 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.210 9.553 -3.255 1.00 13.34 H new ATOM 0 HH TYR A 130 -24.973 10.593 -4.085 1.00 43.15 H new ATOM 1987 N ILE A 131 -22.975 3.289 0.519 1.00 62.14 N ATOM 1988 CA ILE A 131 -22.162 2.293 1.204 1.00 14.52 C ATOM 1989 C ILE A 131 -20.730 2.295 0.679 1.00 32.22 C ATOM 1990 O ILE A 131 -20.495 2.117 -0.516 1.00 50.11 O ATOM 1991 CB ILE A 131 -22.752 0.880 1.046 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -23.988 0.716 1.934 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -21.707 -0.172 1.385 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -25.266 0.491 1.157 1.00 41.20 C ATOM 0 H ILE A 131 -23.133 3.097 -0.470 1.00 62.14 H new ATOM 0 HA ILE A 131 -22.159 2.561 2.260 1.00 14.52 H new ATOM 0 HB ILE A 131 -23.053 0.743 0.007 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -23.831 -0.125 2.610 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -24.101 1.606 2.553 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -22.140 -1.166 1.268 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -20.854 -0.067 0.715 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.377 -0.039 2.415 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -26.100 0.383 1.851 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.448 1.342 0.501 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -25.173 -0.415 0.558 1.00 41.20 H new ATOM 2006 N VAL A 132 -19.775 2.497 1.582 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.366 2.520 1.211 1.00 34.34 C ATOM 2008 C VAL A 132 -17.699 1.181 1.504 1.00 0.01 C ATOM 2009 O VAL A 132 -17.821 0.644 2.604 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.607 3.633 1.958 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -18.173 4.999 1.599 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.665 3.401 3.460 1.00 73.24 C ATOM 0 H VAL A 132 -19.952 2.647 2.575 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.324 2.717 0.140 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.562 3.607 1.649 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.624 5.773 2.136 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -18.075 5.163 0.526 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -19.226 5.041 1.877 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -17.124 4.197 3.972 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.704 3.400 3.788 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -17.208 2.440 3.698 1.00 73.24 H new ATOM 2022 N GLN A 133 -16.993 0.648 0.511 1.00 42.41 N ATOM 2023 CA GLN A 133 -16.306 -0.629 0.664 1.00 12.41 C ATOM 2024 C GLN A 133 -14.943 -0.440 1.320 1.00 54.20 C ATOM 2025 O GLN A 133 -14.077 0.255 0.788 1.00 2.20 O ATOM 2026 CB GLN A 133 -16.141 -1.308 -0.697 1.00 71.20 C ATOM 2027 CG GLN A 133 -17.281 -2.249 -1.051 1.00 14.21 C ATOM 2028 CD GLN A 133 -18.413 -1.549 -1.777 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -19.098 -0.650 -1.079 1.00 73.53 O flip ATOM 2030 NE2 GLN A 133 -18.668 -1.811 -2.952 1.00 12.32 N flip ATOM 0 H GLN A 133 -16.882 1.080 -0.406 1.00 42.41 H new ATOM 0 HA GLN A 133 -16.913 -1.265 1.309 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -16.061 -0.542 -1.468 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -15.205 -1.866 -0.704 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -16.899 -3.057 -1.675 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -17.667 -2.705 -0.139 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -18.116 -2.509 -3.450 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.432 -1.330 -3.428 1.00 12.32 H new