USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 491 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 22 THR OG1 : rot 180:sc= -0.0683 USER MOD Set 1.2: A 41 LYS NZ :NH3+ -144:sc= -1.11 (180deg=-3.35!) USER MOD Single : A 8 SER OG : rot 28:sc= 0.383 USER MOD Single : A 9 MET CE :methyl -141:sc= -2.57 (180deg=-6.59!) USER MOD Single : A 10 GLN : amide:sc= -0.724 K(o=-0.72,f=-3.2!) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.146 (180deg=-0.944) USER MOD Single : A 15 THR OG1 : rot -27:sc= -1.23 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.074) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 0.599 (180deg=-0.549) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.019) USER MOD Single : A 49 GLN : amide:sc= -4.52! K(o=-4.5!,f=-3.8) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 63 THR OG1 : rot 125:sc= 0.0228 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -1.05 (180deg=-2.22!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -3.12! K(o=-3.1!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 -0.167 17.301 -8.554 1.00 23.15 N ATOM 92 CA SER A 8 1.092 16.886 -9.162 1.00 53.30 C ATOM 93 C SER A 8 1.034 15.418 -9.577 1.00 64.52 C ATOM 94 O SER A 8 1.166 15.090 -10.756 1.00 54.24 O ATOM 95 CB SER A 8 2.251 17.108 -8.189 1.00 73.32 C ATOM 96 OG SER A 8 2.114 18.341 -7.506 1.00 73.10 O ATOM 0 HA SER A 8 1.256 17.492 -10.053 1.00 53.30 H new ATOM 0 HB2 SER A 8 2.286 16.291 -7.468 1.00 73.32 H new ATOM 0 HB3 SER A 8 3.195 17.093 -8.734 1.00 73.32 H new ATOM 0 HG SER A 8 1.165 18.578 -7.445 1.00 73.10 H new ATOM 101 N MET A 9 0.840 14.541 -8.599 1.00 53.43 N ATOM 102 CA MET A 9 0.765 13.108 -8.861 1.00 52.50 C ATOM 103 C MET A 9 -0.674 12.610 -8.754 1.00 4.41 C ATOM 104 O MET A 9 -1.375 12.917 -7.791 1.00 4.01 O ATOM 105 CB MET A 9 1.656 12.341 -7.884 1.00 73.33 C ATOM 106 CG MET A 9 2.829 13.156 -7.363 1.00 71.32 C ATOM 107 SD MET A 9 3.929 13.710 -8.679 1.00 13.21 S ATOM 108 CE MET A 9 4.262 12.162 -9.516 1.00 12.25 C ATOM 0 H MET A 9 0.732 14.797 -7.617 1.00 53.43 H new ATOM 0 HA MET A 9 1.118 12.931 -9.877 1.00 52.50 H new ATOM 0 HB2 MET A 9 1.053 12.007 -7.040 1.00 73.33 H new ATOM 0 HB3 MET A 9 2.036 11.446 -8.377 1.00 73.33 H new ATOM 0 HG2 MET A 9 2.452 14.023 -6.821 1.00 71.32 H new ATOM 0 HG3 MET A 9 3.395 12.556 -6.650 1.00 71.32 H new ATOM 0 HE1 MET A 9 5.307 12.132 -9.823 1.00 12.25 H new ATOM 0 HE2 MET A 9 4.058 11.332 -8.840 1.00 12.25 H new ATOM 0 HE3 MET A 9 3.623 12.079 -10.395 1.00 12.25 H new ATOM 116 N GLN A 10 -1.104 11.841 -9.749 1.00 33.22 N ATOM 117 CA GLN A 10 -2.459 11.303 -9.766 1.00 54.10 C ATOM 118 C GLN A 10 -2.447 9.807 -10.065 1.00 4.12 C ATOM 119 O GLN A 10 -1.604 9.324 -10.822 1.00 52.21 O ATOM 120 CB GLN A 10 -3.310 12.037 -10.804 1.00 54.22 C ATOM 121 CG GLN A 10 -3.563 13.496 -10.461 1.00 3.51 C ATOM 122 CD GLN A 10 -4.932 13.971 -10.906 1.00 72.21 C ATOM 123 OE1 GLN A 10 -5.866 13.179 -11.029 1.00 15.34 O ATOM 124 NE2 GLN A 10 -5.058 15.270 -11.150 1.00 74.31 N ATOM 0 H GLN A 10 -0.534 11.577 -10.553 1.00 33.22 H new ATOM 0 HA GLN A 10 -2.895 11.454 -8.778 1.00 54.10 H new ATOM 0 HB2 GLN A 10 -2.815 11.981 -11.773 1.00 54.22 H new ATOM 0 HB3 GLN A 10 -4.267 11.525 -10.905 1.00 54.22 H new ATOM 0 HG2 GLN A 10 -3.467 13.634 -9.384 1.00 3.51 H new ATOM 0 HG3 GLN A 10 -2.798 14.114 -10.931 1.00 3.51 H new ATOM 0 HE21 GLN A 10 -4.257 15.891 -11.035 1.00 74.31 H new ATOM 0 HE22 GLN A 10 -5.956 15.647 -11.452 1.00 74.31 H new ATOM 131 N ILE A 11 -3.386 9.081 -9.469 1.00 52.10 N ATOM 132 CA ILE A 11 -3.483 7.642 -9.673 1.00 1.53 C ATOM 133 C ILE A 11 -4.934 7.176 -9.620 1.00 52.42 C ATOM 134 O ILE A 11 -5.832 7.941 -9.269 1.00 71.34 O ATOM 135 CB ILE A 11 -2.668 6.867 -8.621 1.00 22.25 C ATOM 136 CG1 ILE A 11 -1.946 5.686 -9.272 1.00 53.25 C ATOM 137 CG2 ILE A 11 -3.574 6.387 -7.496 1.00 24.23 C ATOM 138 CD1 ILE A 11 -1.114 4.877 -8.302 1.00 73.44 C ATOM 0 H ILE A 11 -4.091 9.466 -8.840 1.00 52.10 H new ATOM 0 HA ILE A 11 -3.073 7.436 -10.662 1.00 1.53 H new ATOM 0 HB ILE A 11 -1.920 7.537 -8.197 1.00 22.25 H new ATOM 0 HG12 ILE A 11 -2.683 5.033 -9.739 1.00 53.25 H new ATOM 0 HG13 ILE A 11 -1.301 6.059 -10.068 1.00 53.25 H new ATOM 0 HG21 ILE A 11 -2.983 5.841 -6.761 1.00 24.23 H new ATOM 0 HG22 ILE A 11 -4.046 7.245 -7.018 1.00 24.23 H new ATOM 0 HG23 ILE A 11 -4.343 5.730 -7.903 1.00 24.23 H new ATOM 0 HD11 ILE A 11 -0.631 4.057 -8.833 1.00 73.44 H new ATOM 0 HD12 ILE A 11 -0.354 5.516 -7.854 1.00 73.44 H new ATOM 0 HD13 ILE A 11 -1.757 4.474 -7.519 1.00 73.44 H new ATOM 149 N PHE A 12 -5.158 5.913 -9.971 1.00 73.33 N ATOM 150 CA PHE A 12 -6.500 5.343 -9.961 1.00 1.32 C ATOM 151 C PHE A 12 -6.680 4.393 -8.781 1.00 62.12 C ATOM 152 O PHE A 12 -5.949 3.412 -8.642 1.00 34.11 O ATOM 153 CB PHE A 12 -6.771 4.602 -11.272 1.00 1.12 C ATOM 154 CG PHE A 12 -7.910 5.180 -12.063 1.00 11.33 C ATOM 155 CD1 PHE A 12 -9.131 5.435 -11.459 1.00 23.30 C ATOM 156 CD2 PHE A 12 -7.759 5.469 -13.409 1.00 13.34 C ATOM 157 CE1 PHE A 12 -10.181 5.966 -12.185 1.00 61.33 C ATOM 158 CE2 PHE A 12 -8.806 6.000 -14.141 1.00 60.21 C ATOM 159 CZ PHE A 12 -10.018 6.250 -13.526 1.00 44.34 C ATOM 0 H PHE A 12 -4.427 5.265 -10.266 1.00 73.33 H new ATOM 0 HA PHE A 12 -7.214 6.160 -9.858 1.00 1.32 H new ATOM 0 HB2 PHE A 12 -5.869 4.620 -11.883 1.00 1.12 H new ATOM 0 HB3 PHE A 12 -6.986 3.556 -11.051 1.00 1.12 H new ATOM 0 HD1 PHE A 12 -9.264 5.217 -10.410 1.00 23.30 H new ATOM 0 HD2 PHE A 12 -6.813 5.278 -13.893 1.00 13.34 H new ATOM 0 HE1 PHE A 12 -11.128 6.158 -11.703 1.00 61.33 H new ATOM 0 HE2 PHE A 12 -8.676 6.219 -15.191 1.00 60.21 H new ATOM 0 HZ PHE A 12 -10.837 6.667 -14.094 1.00 44.34 H new ATOM 168 N VAL A 13 -7.658 4.693 -7.931 1.00 1.53 N ATOM 169 CA VAL A 13 -7.935 3.866 -6.763 1.00 34.04 C ATOM 170 C VAL A 13 -9.432 3.620 -6.607 1.00 60.51 C ATOM 171 O VAL A 13 -10.238 4.546 -6.701 1.00 22.45 O ATOM 172 CB VAL A 13 -7.395 4.516 -5.475 1.00 2.33 C ATOM 173 CG1 VAL A 13 -7.608 3.595 -4.283 1.00 65.53 C ATOM 174 CG2 VAL A 13 -5.924 4.868 -5.634 1.00 61.24 C ATOM 0 H VAL A 13 -8.271 5.502 -8.030 1.00 1.53 H new ATOM 0 HA VAL A 13 -7.428 2.914 -6.921 1.00 34.04 H new ATOM 0 HB VAL A 13 -7.947 5.438 -5.293 1.00 2.33 H new ATOM 0 HG11 VAL A 13 -7.220 4.071 -3.382 1.00 65.53 H new ATOM 0 HG12 VAL A 13 -8.673 3.399 -4.160 1.00 65.53 H new ATOM 0 HG13 VAL A 13 -7.083 2.655 -4.451 1.00 65.53 H new ATOM 0 HG21 VAL A 13 -5.558 5.326 -4.715 1.00 61.24 H new ATOM 0 HG22 VAL A 13 -5.353 3.962 -5.840 1.00 61.24 H new ATOM 0 HG23 VAL A 13 -5.805 5.568 -6.461 1.00 61.24 H new ATOM 184 N LYS A 14 -9.799 2.367 -6.365 1.00 44.23 N ATOM 185 CA LYS A 14 -11.198 1.997 -6.193 1.00 71.13 C ATOM 186 C LYS A 14 -11.438 1.403 -4.809 1.00 32.11 C ATOM 187 O LYS A 14 -10.871 0.367 -4.460 1.00 61.41 O ATOM 188 CB LYS A 14 -11.619 0.995 -7.270 1.00 74.23 C ATOM 189 CG LYS A 14 -11.621 1.575 -8.674 1.00 55.11 C ATOM 190 CD LYS A 14 -10.273 1.403 -9.351 1.00 42.43 C ATOM 191 CE LYS A 14 -10.155 2.275 -10.590 1.00 23.33 C ATOM 192 NZ LYS A 14 -8.932 1.959 -11.378 1.00 24.52 N ATOM 0 H LYS A 14 -9.145 1.589 -6.283 1.00 44.23 H new ATOM 0 HA LYS A 14 -11.801 2.900 -6.291 1.00 71.13 H new ATOM 0 HB2 LYS A 14 -10.945 0.139 -7.241 1.00 74.23 H new ATOM 0 HB3 LYS A 14 -12.617 0.623 -7.038 1.00 74.23 H new ATOM 0 HG2 LYS A 14 -12.393 1.087 -9.269 1.00 55.11 H new ATOM 0 HG3 LYS A 14 -11.875 2.634 -8.631 1.00 55.11 H new ATOM 0 HD2 LYS A 14 -9.478 1.656 -8.650 1.00 42.43 H new ATOM 0 HD3 LYS A 14 -10.134 0.358 -9.626 1.00 42.43 H new ATOM 0 HE2 LYS A 14 -11.036 2.136 -11.216 1.00 23.33 H new ATOM 0 HE3 LYS A 14 -10.135 3.324 -10.295 1.00 23.33 H new ATOM 0 HZ1 LYS A 14 -8.683 2.774 -11.974 1.00 24.52 H new ATOM 0 HZ2 LYS A 14 -8.146 1.750 -10.730 1.00 24.52 H new ATOM 0 HZ3 LYS A 14 -9.112 1.131 -11.982 1.00 24.52 H new ATOM 202 N THR A 15 -12.282 2.065 -4.023 1.00 22.13 N ATOM 203 CA THR A 15 -12.597 1.602 -2.678 1.00 53.13 C ATOM 204 C THR A 15 -13.515 0.386 -2.715 1.00 43.32 C ATOM 205 O THR A 15 -13.856 -0.115 -3.788 1.00 42.30 O ATOM 206 CB THR A 15 -13.267 2.711 -1.845 1.00 14.12 C ATOM 207 OG1 THR A 15 -14.575 2.987 -2.358 1.00 42.32 O ATOM 208 CG2 THR A 15 -12.431 3.982 -1.863 1.00 42.12 C ATOM 0 H THR A 15 -12.760 2.924 -4.296 1.00 22.13 H new ATOM 0 HA THR A 15 -11.652 1.326 -2.210 1.00 53.13 H new ATOM 0 HB THR A 15 -13.347 2.363 -0.815 1.00 14.12 H new ATOM 0 HG1 THR A 15 -14.605 2.769 -3.313 1.00 42.32 H new ATOM 0 HG21 THR A 15 -12.924 4.751 -1.268 1.00 42.12 H new ATOM 0 HG22 THR A 15 -11.446 3.776 -1.444 1.00 42.12 H new ATOM 0 HG23 THR A 15 -12.323 4.332 -2.890 1.00 42.12 H new ATOM 216 N LEU A 16 -13.912 -0.086 -1.539 1.00 13.44 N ATOM 217 CA LEU A 16 -14.793 -1.245 -1.437 1.00 3.24 C ATOM 218 C LEU A 16 -16.229 -0.871 -1.790 1.00 32.41 C ATOM 219 O LEU A 16 -16.980 -1.683 -2.331 1.00 31.33 O ATOM 220 CB LEU A 16 -14.738 -1.829 -0.025 1.00 11.34 C ATOM 221 CG LEU A 16 -13.342 -2.029 0.566 1.00 20.44 C ATOM 222 CD1 LEU A 16 -13.239 -1.363 1.929 1.00 22.52 C ATOM 223 CD2 LEU A 16 -13.012 -3.510 0.667 1.00 70.32 C ATOM 0 H LEU A 16 -13.638 0.316 -0.642 1.00 13.44 H new ATOM 0 HA LEU A 16 -14.448 -1.996 -2.148 1.00 3.24 H new ATOM 0 HB2 LEU A 16 -15.301 -1.174 0.639 1.00 11.34 H new ATOM 0 HB3 LEU A 16 -15.249 -2.792 -0.032 1.00 11.34 H new ATOM 0 HG LEU A 16 -12.617 -1.561 -0.100 1.00 20.44 H new ATOM 0 HD11 LEU A 16 -12.239 -1.516 2.334 1.00 22.52 H new ATOM 0 HD12 LEU A 16 -13.430 -0.295 1.827 1.00 22.52 H new ATOM 0 HD13 LEU A 16 -13.975 -1.800 2.604 1.00 22.52 H new ATOM 0 HD21 LEU A 16 -12.015 -3.633 1.090 1.00 70.32 H new ATOM 0 HD22 LEU A 16 -13.742 -4.002 1.310 1.00 70.32 H new ATOM 0 HD23 LEU A 16 -13.043 -3.958 -0.326 1.00 70.32 H new ATOM 234 N THR A 17 -16.606 0.367 -1.482 1.00 44.35 N ATOM 235 CA THR A 17 -17.950 0.850 -1.766 1.00 12.23 C ATOM 236 C THR A 17 -18.069 1.328 -3.209 1.00 20.21 C ATOM 237 O THR A 17 -19.132 1.229 -3.820 1.00 0.42 O ATOM 238 CB THR A 17 -18.345 2.001 -0.822 1.00 14.02 C ATOM 239 OG1 THR A 17 -19.749 2.267 -0.933 1.00 43.25 O ATOM 240 CG2 THR A 17 -17.558 3.262 -1.146 1.00 14.11 C ATOM 0 H THR A 17 -15.997 1.053 -1.035 1.00 44.35 H new ATOM 0 HA THR A 17 -18.627 0.011 -1.607 1.00 12.23 H new ATOM 0 HB THR A 17 -18.112 1.699 0.199 1.00 14.02 H new ATOM 0 HG1 THR A 17 -19.992 2.999 -0.328 1.00 43.25 H new ATOM 0 HG21 THR A 17 -17.854 4.061 -0.466 1.00 14.11 H new ATOM 0 HG22 THR A 17 -16.492 3.065 -1.032 1.00 14.11 H new ATOM 0 HG23 THR A 17 -17.763 3.565 -2.173 1.00 14.11 H new ATOM 248 N GLY A 18 -16.970 1.848 -3.748 1.00 14.32 N ATOM 249 CA GLY A 18 -16.973 2.333 -5.116 1.00 62.32 C ATOM 250 C GLY A 18 -16.385 3.725 -5.238 1.00 41.42 C ATOM 251 O GLY A 18 -16.180 4.225 -6.344 1.00 22.21 O ATOM 0 H GLY A 18 -16.078 1.942 -3.262 1.00 14.32 H new ATOM 0 HA2 GLY A 18 -16.405 1.646 -5.743 1.00 62.32 H new ATOM 0 HA3 GLY A 18 -17.995 2.339 -5.494 1.00 62.32 H new ATOM 255 N LYS A 19 -16.113 4.353 -4.099 1.00 2.14 N ATOM 256 CA LYS A 19 -15.546 5.696 -4.081 1.00 2.23 C ATOM 257 C LYS A 19 -14.156 5.708 -4.711 1.00 55.43 C ATOM 258 O LYS A 19 -13.428 4.715 -4.654 1.00 15.32 O ATOM 259 CB LYS A 19 -15.472 6.222 -2.647 1.00 20.02 C ATOM 260 CG LYS A 19 -16.813 6.675 -2.095 1.00 54.22 C ATOM 261 CD LYS A 19 -17.294 7.946 -2.774 1.00 0.14 C ATOM 262 CE LYS A 19 -18.357 8.651 -1.946 1.00 35.53 C ATOM 263 NZ LYS A 19 -19.059 9.707 -2.727 1.00 60.40 N ATOM 0 H LYS A 19 -16.276 3.953 -3.175 1.00 2.14 H new ATOM 0 HA LYS A 19 -16.197 6.346 -4.666 1.00 2.23 H new ATOM 0 HB2 LYS A 19 -15.069 5.441 -2.003 1.00 20.02 H new ATOM 0 HB3 LYS A 19 -14.773 7.057 -2.611 1.00 20.02 H new ATOM 0 HG2 LYS A 19 -17.551 5.885 -2.235 1.00 54.22 H new ATOM 0 HG3 LYS A 19 -16.727 6.845 -1.022 1.00 54.22 H new ATOM 0 HD2 LYS A 19 -16.450 8.617 -2.932 1.00 0.14 H new ATOM 0 HD3 LYS A 19 -17.698 7.704 -3.757 1.00 0.14 H new ATOM 0 HE2 LYS A 19 -19.083 7.920 -1.589 1.00 35.53 H new ATOM 0 HE3 LYS A 19 -17.895 9.097 -1.066 1.00 35.53 H new ATOM 0 HZ1 LYS A 19 -19.776 10.164 -2.127 1.00 60.40 H new ATOM 0 HZ2 LYS A 19 -18.371 10.418 -3.046 1.00 60.40 H new ATOM 0 HZ3 LYS A 19 -19.522 9.278 -3.553 1.00 60.40 H new ATOM 273 N THR A 20 -13.792 6.837 -5.310 1.00 31.23 N ATOM 274 CA THR A 20 -12.490 6.977 -5.950 1.00 72.40 C ATOM 275 C THR A 20 -11.678 8.095 -5.303 1.00 50.33 C ATOM 276 O THR A 20 -12.188 9.191 -5.073 1.00 73.50 O ATOM 277 CB THR A 20 -12.632 7.267 -7.456 1.00 73.02 C ATOM 278 OG1 THR A 20 -13.922 7.825 -7.728 1.00 31.04 O ATOM 279 CG2 THR A 20 -12.441 5.997 -8.270 1.00 3.14 C ATOM 0 H THR A 20 -14.381 7.668 -5.365 1.00 31.23 H new ATOM 0 HA THR A 20 -11.969 6.029 -5.818 1.00 72.40 H new ATOM 0 HB THR A 20 -11.861 7.982 -7.741 1.00 73.02 H new ATOM 0 HG1 THR A 20 -14.004 8.008 -8.687 1.00 31.04 H new ATOM 0 HG21 THR A 20 -12.546 6.225 -9.331 1.00 3.14 H new ATOM 0 HG22 THR A 20 -11.447 5.591 -8.083 1.00 3.14 H new ATOM 0 HG23 THR A 20 -13.193 5.263 -7.981 1.00 3.14 H new ATOM 287 N ILE A 21 -10.413 7.809 -5.013 1.00 40.40 N ATOM 288 CA ILE A 21 -9.531 8.791 -4.396 1.00 73.53 C ATOM 289 C ILE A 21 -8.207 8.889 -5.146 1.00 14.33 C ATOM 290 O ILE A 21 -7.566 7.878 -5.434 1.00 72.42 O ATOM 291 CB ILE A 21 -9.249 8.445 -2.922 1.00 63.44 C ATOM 292 CG1 ILE A 21 -8.881 6.966 -2.784 1.00 60.22 C ATOM 293 CG2 ILE A 21 -10.456 8.778 -2.058 1.00 24.22 C ATOM 294 CD1 ILE A 21 -10.078 6.059 -2.608 1.00 0.05 C ATOM 0 H ILE A 21 -9.976 6.905 -5.196 1.00 40.40 H new ATOM 0 HA ILE A 21 -10.044 9.751 -4.444 1.00 73.53 H new ATOM 0 HB ILE A 21 -8.405 9.044 -2.579 1.00 63.44 H new ATOM 0 HG12 ILE A 21 -8.326 6.654 -3.669 1.00 60.22 H new ATOM 0 HG13 ILE A 21 -8.214 6.844 -1.930 1.00 60.22 H new ATOM 0 HG21 ILE A 21 -10.240 8.527 -1.019 1.00 24.22 H new ATOM 0 HG22 ILE A 21 -10.677 9.843 -2.136 1.00 24.22 H new ATOM 0 HG23 ILE A 21 -11.317 8.203 -2.399 1.00 24.22 H new ATOM 0 HD11 ILE A 21 -9.742 5.026 -2.517 1.00 0.05 H new ATOM 0 HD12 ILE A 21 -10.622 6.345 -1.707 1.00 0.05 H new ATOM 0 HD13 ILE A 21 -10.735 6.152 -3.473 1.00 0.05 H new ATOM 305 N THR A 22 -7.800 10.115 -5.459 1.00 22.21 N ATOM 306 CA THR A 22 -6.552 10.347 -6.175 1.00 33.14 C ATOM 307 C THR A 22 -5.357 10.288 -5.229 1.00 4.25 C ATOM 308 O THR A 22 -5.267 11.063 -4.276 1.00 12.54 O ATOM 309 CB THR A 22 -6.559 11.712 -6.889 1.00 21.15 C ATOM 310 OG1 THR A 22 -7.906 12.163 -7.070 1.00 32.21 O ATOM 311 CG2 THR A 22 -5.865 11.619 -8.240 1.00 31.11 C ATOM 0 H THR A 22 -8.317 10.963 -5.228 1.00 22.21 H new ATOM 0 HA THR A 22 -6.463 9.556 -6.920 1.00 33.14 H new ATOM 0 HB THR A 22 -6.017 12.425 -6.268 1.00 21.15 H new ATOM 0 HG1 THR A 22 -7.902 13.032 -7.523 1.00 32.21 H new ATOM 0 HG21 THR A 22 -5.882 12.595 -8.726 1.00 31.11 H new ATOM 0 HG22 THR A 22 -4.832 11.303 -8.097 1.00 31.11 H new ATOM 0 HG23 THR A 22 -6.383 10.893 -8.866 1.00 31.11 H new ATOM 319 N LEU A 23 -4.440 9.366 -5.501 1.00 14.23 N ATOM 320 CA LEU A 23 -3.249 9.205 -4.674 1.00 2.23 C ATOM 321 C LEU A 23 -1.986 9.500 -5.477 1.00 33.54 C ATOM 322 O LEU A 23 -1.993 9.446 -6.706 1.00 33.03 O ATOM 323 CB LEU A 23 -3.185 7.787 -4.106 1.00 40.21 C ATOM 324 CG LEU A 23 -4.494 7.229 -3.546 1.00 14.22 C ATOM 325 CD1 LEU A 23 -4.223 6.036 -2.643 1.00 41.11 C ATOM 326 CD2 LEU A 23 -5.255 8.309 -2.791 1.00 21.12 C ATOM 0 H LEU A 23 -4.498 8.719 -6.287 1.00 14.23 H new ATOM 0 HA LEU A 23 -3.310 9.917 -3.851 1.00 2.23 H new ATOM 0 HB2 LEU A 23 -2.835 7.118 -4.892 1.00 40.21 H new ATOM 0 HB3 LEU A 23 -2.437 7.768 -3.314 1.00 40.21 H new ATOM 0 HG LEU A 23 -5.110 6.894 -4.381 1.00 14.22 H new ATOM 0 HD11 LEU A 23 -5.166 5.653 -2.254 1.00 41.11 H new ATOM 0 HD12 LEU A 23 -3.721 5.254 -3.213 1.00 41.11 H new ATOM 0 HD13 LEU A 23 -3.587 6.345 -1.813 1.00 41.11 H new ATOM 0 HD21 LEU A 23 -6.184 7.894 -2.400 1.00 21.12 H new ATOM 0 HD22 LEU A 23 -4.645 8.674 -1.965 1.00 21.12 H new ATOM 0 HD23 LEU A 23 -5.483 9.134 -3.467 1.00 21.12 H new ATOM 337 N GLU A 24 -0.903 9.813 -4.773 1.00 51.34 N ATOM 338 CA GLU A 24 0.368 10.116 -5.421 1.00 42.55 C ATOM 339 C GLU A 24 1.262 8.879 -5.470 1.00 70.21 C ATOM 340 O GLU A 24 1.197 8.017 -4.593 1.00 31.25 O ATOM 341 CB GLU A 24 1.085 11.248 -4.684 1.00 61.03 C ATOM 342 CG GLU A 24 1.621 10.843 -3.320 1.00 35.23 C ATOM 343 CD GLU A 24 2.474 11.924 -2.684 1.00 1.31 C ATOM 344 OE1 GLU A 24 2.582 13.020 -3.273 1.00 15.54 O ATOM 345 OE2 GLU A 24 3.034 11.673 -1.597 1.00 61.24 O ATOM 0 H GLU A 24 -0.880 9.863 -3.755 1.00 51.34 H new ATOM 0 HA GLU A 24 0.159 10.433 -6.443 1.00 42.55 H new ATOM 0 HB2 GLU A 24 1.912 11.604 -5.299 1.00 61.03 H new ATOM 0 HB3 GLU A 24 0.396 12.084 -4.561 1.00 61.03 H new ATOM 0 HG2 GLU A 24 0.785 10.609 -2.660 1.00 35.23 H new ATOM 0 HG3 GLU A 24 2.211 9.932 -3.421 1.00 35.23 H new ATOM 350 N VAL A 25 2.096 8.799 -6.501 1.00 3.23 N ATOM 351 CA VAL A 25 3.004 7.671 -6.666 1.00 40.34 C ATOM 352 C VAL A 25 4.318 8.109 -7.301 1.00 12.12 C ATOM 353 O VAL A 25 4.342 9.006 -8.143 1.00 2.14 O ATOM 354 CB VAL A 25 2.373 6.563 -7.531 1.00 33.41 C ATOM 355 CG1 VAL A 25 1.489 5.661 -6.684 1.00 33.35 C ATOM 356 CG2 VAL A 25 1.582 7.172 -8.679 1.00 14.45 C ATOM 0 H VAL A 25 2.162 9.503 -7.236 1.00 3.23 H new ATOM 0 HA VAL A 25 3.200 7.276 -5.669 1.00 40.34 H new ATOM 0 HB VAL A 25 3.173 5.954 -7.952 1.00 33.41 H new ATOM 0 HG11 VAL A 25 1.052 4.885 -7.313 1.00 33.35 H new ATOM 0 HG12 VAL A 25 2.087 5.198 -5.899 1.00 33.35 H new ATOM 0 HG13 VAL A 25 0.693 6.252 -6.232 1.00 33.35 H new ATOM 0 HG21 VAL A 25 1.143 6.376 -9.281 1.00 14.45 H new ATOM 0 HG22 VAL A 25 0.789 7.805 -8.279 1.00 14.45 H new ATOM 0 HG23 VAL A 25 2.246 7.772 -9.301 1.00 14.45 H new ATOM 366 N GLU A 26 5.409 7.470 -6.891 1.00 25.44 N ATOM 367 CA GLU A 26 6.729 7.797 -7.421 1.00 14.43 C ATOM 368 C GLU A 26 7.734 6.697 -7.091 1.00 3.22 C ATOM 369 O GLU A 26 7.565 5.931 -6.142 1.00 0.03 O ATOM 370 CB GLU A 26 7.214 9.133 -6.855 1.00 12.44 C ATOM 371 CG GLU A 26 7.258 10.249 -7.886 1.00 62.45 C ATOM 372 CD GLU A 26 6.469 11.471 -7.457 1.00 41.03 C ATOM 373 OE1 GLU A 26 5.347 11.299 -6.937 1.00 54.12 O ATOM 374 OE2 GLU A 26 6.974 12.598 -7.640 1.00 33.00 O ATOM 0 H GLU A 26 5.406 6.724 -6.195 1.00 25.44 H new ATOM 0 HA GLU A 26 6.648 7.879 -8.505 1.00 14.43 H new ATOM 0 HB2 GLU A 26 6.559 9.431 -6.037 1.00 12.44 H new ATOM 0 HB3 GLU A 26 8.210 9.000 -6.433 1.00 12.44 H new ATOM 0 HG2 GLU A 26 8.295 10.534 -8.063 1.00 62.45 H new ATOM 0 HG3 GLU A 26 6.863 9.880 -8.833 1.00 62.45 H new ATOM 379 N PRO A 27 8.807 6.617 -7.893 1.00 75.31 N ATOM 380 CA PRO A 27 9.861 5.616 -7.706 1.00 55.53 C ATOM 381 C PRO A 27 10.694 5.876 -6.455 1.00 34.13 C ATOM 382 O PRO A 27 11.326 4.967 -5.919 1.00 44.03 O ATOM 383 CB PRO A 27 10.722 5.769 -8.962 1.00 1.34 C ATOM 384 CG PRO A 27 10.494 7.172 -9.409 1.00 41.14 C ATOM 385 CD PRO A 27 9.073 7.498 -9.043 1.00 73.55 C ATOM 0 HA PRO A 27 9.452 4.615 -7.571 1.00 55.53 H new ATOM 0 HB2 PRO A 27 11.775 5.589 -8.745 1.00 1.34 H new ATOM 0 HB3 PRO A 27 10.429 5.056 -9.732 1.00 1.34 H new ATOM 0 HG2 PRO A 27 11.189 7.855 -8.921 1.00 41.14 H new ATOM 0 HG3 PRO A 27 10.653 7.270 -10.483 1.00 41.14 H new ATOM 0 HD2 PRO A 27 8.957 8.549 -8.779 1.00 73.55 H new ATOM 0 HD3 PRO A 27 8.390 7.299 -9.868 1.00 73.55 H new ATOM 390 N SER A 28 10.687 7.123 -5.995 1.00 55.14 N ATOM 391 CA SER A 28 11.444 7.504 -4.809 1.00 41.15 C ATOM 392 C SER A 28 10.511 7.796 -3.638 1.00 1.44 C ATOM 393 O SER A 28 10.943 7.870 -2.487 1.00 1.51 O ATOM 394 CB SER A 28 12.311 8.730 -5.102 1.00 45.22 C ATOM 395 OG SER A 28 12.326 9.024 -6.488 1.00 1.41 O ATOM 0 H SER A 28 10.165 7.886 -6.426 1.00 55.14 H new ATOM 0 HA SER A 28 12.089 6.668 -4.538 1.00 41.15 H new ATOM 0 HB2 SER A 28 11.931 9.589 -4.549 1.00 45.22 H new ATOM 0 HB3 SER A 28 13.328 8.552 -4.754 1.00 45.22 H new ATOM 0 HG SER A 28 12.885 9.812 -6.649 1.00 1.41 H new ATOM 400 N ASP A 29 9.227 7.960 -3.940 1.00 43.41 N ATOM 401 CA ASP A 29 8.230 8.243 -2.914 1.00 2.03 C ATOM 402 C ASP A 29 7.511 6.967 -2.489 1.00 13.10 C ATOM 403 O ASP A 29 7.119 6.153 -3.326 1.00 64.20 O ATOM 404 CB ASP A 29 7.217 9.268 -3.427 1.00 43.31 C ATOM 405 CG ASP A 29 7.883 10.484 -4.039 1.00 22.14 C ATOM 406 OD1 ASP A 29 9.088 10.692 -3.785 1.00 42.23 O ATOM 407 OD2 ASP A 29 7.200 11.230 -4.773 1.00 54.51 O ATOM 0 H ASP A 29 8.853 7.902 -4.887 1.00 43.41 H new ATOM 0 HA ASP A 29 8.744 8.655 -2.046 1.00 2.03 H new ATOM 0 HB2 ASP A 29 6.573 8.798 -4.170 1.00 43.31 H new ATOM 0 HB3 ASP A 29 6.576 9.584 -2.604 1.00 43.31 H new ATOM 411 N THR A 30 7.341 6.797 -1.182 1.00 33.22 N ATOM 412 CA THR A 30 6.670 5.619 -0.645 1.00 65.04 C ATOM 413 C THR A 30 5.306 5.979 -0.067 1.00 45.04 C ATOM 414 O THR A 30 4.955 7.155 0.034 1.00 52.41 O ATOM 415 CB THR A 30 7.517 4.942 0.449 1.00 51.04 C ATOM 416 OG1 THR A 30 6.959 3.665 0.779 1.00 74.24 O ATOM 417 CG2 THR A 30 7.584 5.809 1.697 1.00 21.23 C ATOM 0 H THR A 30 7.659 7.460 -0.475 1.00 33.22 H new ATOM 0 HA THR A 30 6.537 4.924 -1.474 1.00 65.04 H new ATOM 0 HB THR A 30 8.528 4.809 0.064 1.00 51.04 H new ATOM 0 HG1 THR A 30 7.504 3.240 1.474 1.00 74.24 H new ATOM 0 HG21 THR A 30 8.187 5.310 2.455 1.00 21.23 H new ATOM 0 HG22 THR A 30 8.035 6.770 1.449 1.00 21.23 H new ATOM 0 HG23 THR A 30 6.577 5.970 2.083 1.00 21.23 H new ATOM 425 N ILE A 31 4.543 4.960 0.312 1.00 54.31 N ATOM 426 CA ILE A 31 3.217 5.169 0.882 1.00 45.01 C ATOM 427 C ILE A 31 3.268 6.157 2.042 1.00 12.31 C ATOM 428 O ILE A 31 2.287 6.842 2.329 1.00 25.14 O ATOM 429 CB ILE A 31 2.601 3.846 1.374 1.00 70.32 C ATOM 430 CG1 ILE A 31 2.687 2.780 0.282 1.00 2.31 C ATOM 431 CG2 ILE A 31 1.157 4.061 1.800 1.00 10.05 C ATOM 432 CD1 ILE A 31 2.164 3.245 -1.059 1.00 51.52 C ATOM 0 H ILE A 31 4.820 3.981 0.235 1.00 54.31 H new ATOM 0 HA ILE A 31 2.592 5.577 0.088 1.00 45.01 H new ATOM 0 HB ILE A 31 3.167 3.499 2.238 1.00 70.32 H new ATOM 0 HG12 ILE A 31 3.726 2.469 0.170 1.00 2.31 H new ATOM 0 HG13 ILE A 31 2.124 1.902 0.598 1.00 2.31 H new ATOM 0 HG21 ILE A 31 0.735 3.117 2.145 1.00 10.05 H new ATOM 0 HG22 ILE A 31 1.121 4.792 2.608 1.00 10.05 H new ATOM 0 HG23 ILE A 31 0.578 4.429 0.952 1.00 10.05 H new ATOM 0 HD11 ILE A 31 2.256 2.438 -1.785 1.00 51.52 H new ATOM 0 HD12 ILE A 31 1.116 3.528 -0.962 1.00 51.52 H new ATOM 0 HD13 ILE A 31 2.743 4.105 -1.397 1.00 51.52 H new ATOM 443 N GLU A 32 4.419 6.225 2.705 1.00 13.22 N ATOM 444 CA GLU A 32 4.596 7.130 3.834 1.00 63.13 C ATOM 445 C GLU A 32 4.187 8.552 3.460 1.00 63.14 C ATOM 446 O GLU A 32 3.362 9.168 4.131 1.00 73.45 O ATOM 447 CB GLU A 32 6.052 7.113 4.305 1.00 43.20 C ATOM 448 CG GLU A 32 6.284 7.880 5.596 1.00 14.14 C ATOM 449 CD GLU A 32 7.755 8.067 5.908 1.00 60.41 C ATOM 450 OE1 GLU A 32 8.446 7.053 6.143 1.00 25.13 O ATOM 451 OE2 GLU A 32 8.216 9.228 5.919 1.00 33.10 O ATOM 0 H GLU A 32 5.241 5.665 2.480 1.00 13.22 H new ATOM 0 HA GLU A 32 3.955 6.788 4.646 1.00 63.13 H new ATOM 0 HB2 GLU A 32 6.368 6.079 4.445 1.00 43.20 H new ATOM 0 HB3 GLU A 32 6.683 7.536 3.523 1.00 43.20 H new ATOM 0 HG2 GLU A 32 5.805 8.856 5.525 1.00 14.14 H new ATOM 0 HG3 GLU A 32 5.806 7.350 6.420 1.00 14.14 H new ATOM 456 N ASN A 33 4.774 9.067 2.384 1.00 11.02 N ATOM 457 CA ASN A 33 4.473 10.417 1.922 1.00 4.55 C ATOM 458 C ASN A 33 3.142 10.452 1.176 1.00 44.13 C ATOM 459 O ASN A 33 2.452 11.471 1.163 1.00 11.11 O ATOM 460 CB ASN A 33 5.592 10.929 1.013 1.00 41.33 C ATOM 461 CG ASN A 33 5.743 12.437 1.076 1.00 44.42 C ATOM 462 OD1 ASN A 33 5.243 13.158 0.212 1.00 5.34 O ATOM 463 ND2 ASN A 33 6.436 12.920 2.100 1.00 23.00 N ATOM 0 H ASN A 33 5.460 8.570 1.816 1.00 11.02 H new ATOM 0 HA ASN A 33 4.398 11.065 2.795 1.00 4.55 H new ATOM 0 HB2 ASN A 33 6.533 10.460 1.300 1.00 41.33 H new ATOM 0 HB3 ASN A 33 5.387 10.630 -0.015 1.00 41.33 H new ATOM 0 HD21 ASN A 33 6.572 13.926 2.194 1.00 23.00 H new ATOM 0 HD22 ASN A 33 6.832 12.285 2.793 1.00 23.00 H new ATOM 469 N VAL A 34 2.787 9.330 0.557 1.00 11.15 N ATOM 470 CA VAL A 34 1.538 9.231 -0.189 1.00 64.05 C ATOM 471 C VAL A 34 0.334 9.359 0.737 1.00 5.35 C ATOM 472 O VAL A 34 -0.706 9.893 0.350 1.00 22.44 O ATOM 473 CB VAL A 34 1.446 7.896 -0.953 1.00 33.52 C ATOM 474 CG1 VAL A 34 0.228 7.887 -1.865 1.00 43.11 C ATOM 475 CG2 VAL A 34 2.719 7.647 -1.745 1.00 5.54 C ATOM 0 H VAL A 34 3.347 8.477 0.558 1.00 11.15 H new ATOM 0 HA VAL A 34 1.530 10.052 -0.905 1.00 64.05 H new ATOM 0 HB VAL A 34 1.334 7.089 -0.229 1.00 33.52 H new ATOM 0 HG11 VAL A 34 0.179 6.937 -2.397 1.00 43.11 H new ATOM 0 HG12 VAL A 34 -0.675 8.016 -1.268 1.00 43.11 H new ATOM 0 HG13 VAL A 34 0.306 8.702 -2.585 1.00 43.11 H new ATOM 0 HG21 VAL A 34 2.636 6.700 -2.278 1.00 5.54 H new ATOM 0 HG22 VAL A 34 2.866 8.455 -2.461 1.00 5.54 H new ATOM 0 HG23 VAL A 34 3.569 7.607 -1.064 1.00 5.54 H new ATOM 485 N LYS A 35 0.480 8.866 1.961 1.00 23.53 N ATOM 486 CA LYS A 35 -0.595 8.927 2.944 1.00 40.30 C ATOM 487 C LYS A 35 -1.135 10.348 3.073 1.00 51.05 C ATOM 488 O LYS A 35 -2.301 10.550 3.410 1.00 21.40 O ATOM 489 CB LYS A 35 -0.097 8.433 4.304 1.00 73.21 C ATOM 490 CG LYS A 35 0.441 9.541 5.194 1.00 41.21 C ATOM 491 CD LYS A 35 0.823 9.017 6.568 1.00 52.21 C ATOM 492 CE LYS A 35 2.067 8.145 6.507 1.00 45.41 C ATOM 493 NZ LYS A 35 3.291 8.897 6.898 1.00 40.52 N ATOM 0 H LYS A 35 1.333 8.419 2.297 1.00 23.53 H new ATOM 0 HA LYS A 35 -1.404 8.280 2.603 1.00 40.30 H new ATOM 0 HB2 LYS A 35 -0.914 7.929 4.820 1.00 73.21 H new ATOM 0 HB3 LYS A 35 0.686 7.692 4.147 1.00 73.21 H new ATOM 0 HG2 LYS A 35 1.312 9.997 4.723 1.00 41.21 H new ATOM 0 HG3 LYS A 35 -0.311 10.323 5.298 1.00 41.21 H new ATOM 0 HD2 LYS A 35 0.998 9.855 7.242 1.00 52.21 H new ATOM 0 HD3 LYS A 35 -0.005 8.442 6.982 1.00 52.21 H new ATOM 0 HE2 LYS A 35 1.942 7.287 7.167 1.00 45.41 H new ATOM 0 HE3 LYS A 35 2.188 7.755 5.496 1.00 45.41 H new ATOM 0 HZ1 LYS A 35 3.969 8.248 7.346 1.00 40.52 H new ATOM 0 HZ2 LYS A 35 3.723 9.320 6.052 1.00 40.52 H new ATOM 0 HZ3 LYS A 35 3.037 9.649 7.570 1.00 40.52 H new ATOM 503 N ALA A 36 -0.279 11.328 2.803 1.00 11.22 N ATOM 504 CA ALA A 36 -0.671 12.729 2.885 1.00 12.11 C ATOM 505 C ALA A 36 -1.686 13.079 1.802 1.00 21.21 C ATOM 506 O ALA A 36 -2.718 13.693 2.078 1.00 41.34 O ATOM 507 CB ALA A 36 0.552 13.627 2.776 1.00 15.44 C ATOM 0 H ALA A 36 0.691 11.177 2.525 1.00 11.22 H new ATOM 0 HA ALA A 36 -1.142 12.893 3.854 1.00 12.11 H new ATOM 0 HB1 ALA A 36 0.244 14.671 2.839 1.00 15.44 H new ATOM 0 HB2 ALA A 36 1.242 13.403 3.590 1.00 15.44 H new ATOM 0 HB3 ALA A 36 1.048 13.452 1.821 1.00 15.44 H new ATOM 513 N LYS A 37 -1.386 12.689 0.568 1.00 13.42 N ATOM 514 CA LYS A 37 -2.271 12.960 -0.558 1.00 14.34 C ATOM 515 C LYS A 37 -3.655 12.366 -0.318 1.00 54.20 C ATOM 516 O LYS A 37 -4.669 13.051 -0.462 1.00 71.14 O ATOM 517 CB LYS A 37 -1.678 12.392 -1.848 1.00 4.24 C ATOM 518 CG LYS A 37 -0.789 13.374 -2.593 1.00 44.23 C ATOM 519 CD LYS A 37 -1.408 13.794 -3.915 1.00 4.32 C ATOM 520 CE LYS A 37 -2.113 15.137 -3.799 1.00 74.54 C ATOM 521 NZ LYS A 37 -2.108 15.881 -5.089 1.00 62.24 N ATOM 0 H LYS A 37 -0.535 12.183 0.322 1.00 13.42 H new ATOM 0 HA LYS A 37 -2.371 14.041 -0.657 1.00 14.34 H new ATOM 0 HB2 LYS A 37 -1.099 11.499 -1.610 1.00 4.24 H new ATOM 0 HB3 LYS A 37 -2.490 12.080 -2.505 1.00 4.24 H new ATOM 0 HG2 LYS A 37 -0.619 14.255 -1.974 1.00 44.23 H new ATOM 0 HG3 LYS A 37 0.185 12.919 -2.774 1.00 44.23 H new ATOM 0 HD2 LYS A 37 -0.632 13.854 -4.678 1.00 4.32 H new ATOM 0 HD3 LYS A 37 -2.119 13.036 -4.242 1.00 4.32 H new ATOM 0 HE2 LYS A 37 -3.142 14.980 -3.475 1.00 74.54 H new ATOM 0 HE3 LYS A 37 -1.625 15.738 -3.032 1.00 74.54 H new ATOM 0 HZ1 LYS A 37 -2.598 16.790 -4.967 1.00 62.24 H new ATOM 0 HZ2 LYS A 37 -1.126 16.054 -5.386 1.00 62.24 H new ATOM 0 HZ3 LYS A 37 -2.596 15.319 -5.816 1.00 62.24 H new ATOM 531 N ILE A 38 -3.691 11.090 0.050 1.00 51.52 N ATOM 532 CA ILE A 38 -4.951 10.405 0.313 1.00 3.30 C ATOM 533 C ILE A 38 -5.616 10.942 1.575 1.00 65.12 C ATOM 534 O ILE A 38 -6.839 11.043 1.648 1.00 33.14 O ATOM 535 CB ILE A 38 -4.745 8.886 0.461 1.00 11.32 C ATOM 536 CG1 ILE A 38 -6.068 8.203 0.817 1.00 3.22 C ATOM 537 CG2 ILE A 38 -3.691 8.594 1.518 1.00 54.22 C ATOM 538 CD1 ILE A 38 -7.235 8.668 -0.026 1.00 45.41 C ATOM 0 H ILE A 38 -2.862 10.509 0.173 1.00 51.52 H new ATOM 0 HA ILE A 38 -5.598 10.594 -0.544 1.00 3.30 H new ATOM 0 HB ILE A 38 -4.396 8.487 -0.491 1.00 11.32 H new ATOM 0 HG12 ILE A 38 -5.954 7.125 0.701 1.00 3.22 H new ATOM 0 HG13 ILE A 38 -6.292 8.389 1.867 1.00 3.22 H new ATOM 0 HG21 ILE A 38 -3.557 7.516 1.610 1.00 54.22 H new ATOM 0 HG22 ILE A 38 -2.746 9.053 1.226 1.00 54.22 H new ATOM 0 HG23 ILE A 38 -4.013 9.003 2.476 1.00 54.22 H new ATOM 0 HD11 ILE A 38 -8.139 8.142 0.282 1.00 45.41 H new ATOM 0 HD12 ILE A 38 -7.376 9.740 0.108 1.00 45.41 H new ATOM 0 HD13 ILE A 38 -7.032 8.457 -1.076 1.00 45.41 H new ATOM 549 N GLN A 39 -4.800 11.287 2.566 1.00 62.00 N ATOM 550 CA GLN A 39 -5.309 11.816 3.826 1.00 43.24 C ATOM 551 C GLN A 39 -6.266 12.978 3.581 1.00 61.40 C ATOM 552 O GLN A 39 -7.238 13.159 4.314 1.00 71.15 O ATOM 553 CB GLN A 39 -4.152 12.270 4.718 1.00 21.21 C ATOM 554 CG GLN A 39 -4.598 13.074 5.929 1.00 41.23 C ATOM 555 CD GLN A 39 -3.460 13.364 6.887 1.00 51.03 C ATOM 556 OE1 GLN A 39 -2.346 12.864 6.717 1.00 15.12 O ATOM 557 NE2 GLN A 39 -3.732 14.174 7.903 1.00 75.33 N ATOM 0 H GLN A 39 -3.784 11.210 2.521 1.00 62.00 H new ATOM 0 HA GLN A 39 -5.856 11.020 4.331 1.00 43.24 H new ATOM 0 HB2 GLN A 39 -3.600 11.394 5.057 1.00 21.21 H new ATOM 0 HB3 GLN A 39 -3.462 12.872 4.126 1.00 21.21 H new ATOM 0 HG2 GLN A 39 -5.035 14.015 5.595 1.00 41.23 H new ATOM 0 HG3 GLN A 39 -5.381 12.528 6.455 1.00 41.23 H new ATOM 0 HE21 GLN A 39 -4.668 14.566 8.006 1.00 75.33 H new ATOM 0 HE22 GLN A 39 -3.005 14.404 8.580 1.00 75.33 H new ATOM 564 N ASP A 40 -5.983 13.763 2.547 1.00 52.32 N ATOM 565 CA ASP A 40 -6.819 14.908 2.206 1.00 5.14 C ATOM 566 C ASP A 40 -8.095 14.458 1.502 1.00 14.52 C ATOM 567 O ASP A 40 -9.125 15.128 1.573 1.00 74.31 O ATOM 568 CB ASP A 40 -6.046 15.882 1.314 1.00 72.02 C ATOM 569 CG ASP A 40 -6.493 17.318 1.504 1.00 62.21 C ATOM 570 OD1 ASP A 40 -6.922 17.664 2.625 1.00 41.13 O ATOM 571 OD2 ASP A 40 -6.413 18.097 0.532 1.00 44.12 O ATOM 0 H ASP A 40 -5.182 13.627 1.931 1.00 52.32 H new ATOM 0 HA ASP A 40 -7.095 15.414 3.131 1.00 5.14 H new ATOM 0 HB2 ASP A 40 -4.981 15.804 1.533 1.00 72.02 H new ATOM 0 HB3 ASP A 40 -6.179 15.598 0.270 1.00 72.02 H new ATOM 575 N LYS A 41 -8.020 13.319 0.821 1.00 72.32 N ATOM 576 CA LYS A 41 -9.167 12.779 0.104 1.00 15.32 C ATOM 577 C LYS A 41 -10.221 12.258 1.076 1.00 75.13 C ATOM 578 O LYS A 41 -11.368 12.700 1.058 1.00 33.32 O ATOM 579 CB LYS A 41 -8.725 11.655 -0.836 1.00 40.22 C ATOM 580 CG LYS A 41 -8.376 12.133 -2.234 1.00 65.34 C ATOM 581 CD LYS A 41 -7.018 12.814 -2.266 1.00 5.04 C ATOM 582 CE LYS A 41 -6.994 13.962 -3.265 1.00 73.44 C ATOM 583 NZ LYS A 41 -7.518 13.550 -4.596 1.00 62.21 N ATOM 0 H LYS A 41 -7.175 12.752 0.751 1.00 72.32 H new ATOM 0 HA LYS A 41 -9.607 13.584 -0.484 1.00 15.32 H new ATOM 0 HB2 LYS A 41 -7.858 11.153 -0.406 1.00 40.22 H new ATOM 0 HB3 LYS A 41 -9.522 10.914 -0.903 1.00 40.22 H new ATOM 0 HG2 LYS A 41 -8.376 11.286 -2.920 1.00 65.34 H new ATOM 0 HG3 LYS A 41 -9.141 12.827 -2.584 1.00 65.34 H new ATOM 0 HD2 LYS A 41 -6.775 13.190 -1.272 1.00 5.04 H new ATOM 0 HD3 LYS A 41 -6.251 12.086 -2.528 1.00 5.04 H new ATOM 0 HE2 LYS A 41 -7.589 14.790 -2.881 1.00 73.44 H new ATOM 0 HE3 LYS A 41 -5.973 14.327 -3.374 1.00 73.44 H new ATOM 0 HZ1 LYS A 41 -6.983 14.034 -5.345 1.00 62.21 H new ATOM 0 HZ2 LYS A 41 -7.414 12.521 -4.707 1.00 62.21 H new ATOM 0 HZ3 LYS A 41 -8.523 13.806 -4.668 1.00 62.21 H new ATOM 593 N GLU A 42 -9.822 11.315 1.925 1.00 70.43 N ATOM 594 CA GLU A 42 -10.732 10.736 2.905 1.00 75.13 C ATOM 595 C GLU A 42 -10.137 10.805 4.310 1.00 4.30 C ATOM 596 O GLU A 42 -10.854 10.991 5.291 1.00 12.24 O ATOM 597 CB GLU A 42 -11.047 9.282 2.545 1.00 42.30 C ATOM 598 CG GLU A 42 -9.865 8.532 1.953 1.00 74.44 C ATOM 599 CD GLU A 42 -10.099 7.035 1.885 1.00 34.33 C ATOM 600 OE1 GLU A 42 -11.261 6.608 2.049 1.00 33.11 O ATOM 601 OE2 GLU A 42 -9.120 6.292 1.666 1.00 74.50 O ATOM 0 H GLU A 42 -8.875 10.937 1.953 1.00 70.43 H new ATOM 0 HA GLU A 42 -11.655 11.316 2.891 1.00 75.13 H new ATOM 0 HB2 GLU A 42 -11.386 8.760 3.440 1.00 42.30 H new ATOM 0 HB3 GLU A 42 -11.872 9.263 1.833 1.00 42.30 H new ATOM 0 HG2 GLU A 42 -9.664 8.911 0.951 1.00 74.44 H new ATOM 0 HG3 GLU A 42 -8.976 8.730 2.552 1.00 74.44 H new ATOM 606 N GLY A 43 -8.818 10.653 4.395 1.00 10.41 N ATOM 607 CA GLY A 43 -8.148 10.701 5.681 1.00 61.25 C ATOM 608 C GLY A 43 -7.839 9.320 6.225 1.00 74.51 C ATOM 609 O GLY A 43 -7.524 9.167 7.405 1.00 60.42 O ATOM 0 H GLY A 43 -8.203 10.498 3.596 1.00 10.41 H new ATOM 0 HA2 GLY A 43 -7.221 11.266 5.583 1.00 61.25 H new ATOM 0 HA3 GLY A 43 -8.774 11.237 6.394 1.00 61.25 H new ATOM 613 N ILE A 44 -7.931 8.313 5.365 1.00 14.40 N ATOM 614 CA ILE A 44 -7.659 6.938 5.766 1.00 52.10 C ATOM 615 C ILE A 44 -6.171 6.723 6.019 1.00 2.33 C ATOM 616 O ILE A 44 -5.327 6.992 5.164 1.00 44.11 O ATOM 617 CB ILE A 44 -8.139 5.934 4.701 1.00 23.31 C ATOM 618 CG1 ILE A 44 -9.616 5.597 4.915 1.00 24.03 C ATOM 619 CG2 ILE A 44 -7.290 4.672 4.742 1.00 22.11 C ATOM 620 CD1 ILE A 44 -10.516 6.812 4.935 1.00 41.40 C ATOM 0 H ILE A 44 -8.192 8.423 4.385 1.00 14.40 H new ATOM 0 HA ILE A 44 -8.211 6.764 6.690 1.00 52.10 H new ATOM 0 HB ILE A 44 -8.029 6.390 3.717 1.00 23.31 H new ATOM 0 HG12 ILE A 44 -9.945 4.924 4.123 1.00 24.03 H new ATOM 0 HG13 ILE A 44 -9.725 5.059 5.857 1.00 24.03 H new ATOM 0 HG21 ILE A 44 -7.641 3.972 3.984 1.00 22.11 H new ATOM 0 HG22 ILE A 44 -6.249 4.927 4.545 1.00 22.11 H new ATOM 0 HG23 ILE A 44 -7.371 4.211 5.726 1.00 22.11 H new ATOM 0 HD11 ILE A 44 -11.548 6.498 5.091 1.00 41.40 H new ATOM 0 HD12 ILE A 44 -10.213 7.476 5.744 1.00 41.40 H new ATOM 0 HD13 ILE A 44 -10.437 7.339 3.984 1.00 41.40 H new ATOM 631 N PRO A 45 -5.841 6.224 7.219 1.00 45.51 N ATOM 632 CA PRO A 45 -4.452 5.958 7.610 1.00 34.43 C ATOM 633 C PRO A 45 -3.849 4.785 6.847 1.00 42.02 C ATOM 634 O PRO A 45 -4.502 3.771 6.600 1.00 34.21 O ATOM 635 CB PRO A 45 -4.562 5.628 9.101 1.00 41.33 C ATOM 636 CG PRO A 45 -5.953 5.124 9.276 1.00 13.11 C ATOM 637 CD PRO A 45 -6.795 5.880 8.285 1.00 61.04 C ATOM 0 HA PRO A 45 -3.798 6.803 7.393 1.00 34.43 H new ATOM 0 HB2 PRO A 45 -3.829 4.877 9.395 1.00 41.33 H new ATOM 0 HB3 PRO A 45 -4.380 6.509 9.716 1.00 41.33 H new ATOM 0 HG2 PRO A 45 -6.005 4.051 9.094 1.00 13.11 H new ATOM 0 HG3 PRO A 45 -6.304 5.292 10.294 1.00 13.11 H new ATOM 0 HD2 PRO A 45 -7.616 5.270 7.908 1.00 61.04 H new ATOM 0 HD3 PRO A 45 -7.238 6.771 8.731 1.00 61.04 H new ATOM 642 N PRO A 46 -2.571 4.923 6.464 1.00 44.34 N ATOM 643 CA PRO A 46 -1.850 3.882 5.724 1.00 2.30 C ATOM 644 C PRO A 46 -1.564 2.654 6.580 1.00 62.14 C ATOM 645 O PRO A 46 -1.650 1.520 6.106 1.00 70.21 O ATOM 646 CB PRO A 46 -0.544 4.571 5.324 1.00 21.14 C ATOM 647 CG PRO A 46 -0.351 5.640 6.344 1.00 41.01 C ATOM 648 CD PRO A 46 -1.731 6.103 6.723 1.00 62.52 C ATOM 0 HA PRO A 46 -2.428 3.510 4.878 1.00 2.30 H new ATOM 0 HB2 PRO A 46 0.290 3.869 5.324 1.00 21.14 H new ATOM 0 HB3 PRO A 46 -0.609 4.989 4.320 1.00 21.14 H new ATOM 0 HG2 PRO A 46 0.185 5.258 7.213 1.00 41.01 H new ATOM 0 HG3 PRO A 46 0.240 6.462 5.941 1.00 41.01 H new ATOM 0 HD2 PRO A 46 -1.779 6.409 7.768 1.00 62.52 H new ATOM 0 HD3 PRO A 46 -2.046 6.959 6.126 1.00 62.52 H new ATOM 653 N ASP A 47 -1.223 2.885 7.843 1.00 11.34 N ATOM 654 CA ASP A 47 -0.926 1.797 8.766 1.00 62.34 C ATOM 655 C ASP A 47 -2.130 0.875 8.927 1.00 22.43 C ATOM 656 O ASP A 47 -1.996 -0.265 9.372 1.00 33.35 O ATOM 657 CB ASP A 47 -0.510 2.355 10.129 1.00 22.03 C ATOM 658 CG ASP A 47 0.923 2.847 10.140 1.00 25.41 C ATOM 659 OD1 ASP A 47 1.841 2.002 10.095 1.00 65.41 O ATOM 660 OD2 ASP A 47 1.129 4.079 10.195 1.00 14.34 O ATOM 0 H ASP A 47 -1.145 3.817 8.251 1.00 11.34 H new ATOM 0 HA ASP A 47 -0.101 1.218 8.351 1.00 62.34 H new ATOM 0 HB2 ASP A 47 -1.175 3.175 10.401 1.00 22.03 H new ATOM 0 HB3 ASP A 47 -0.631 1.582 10.887 1.00 22.03 H new ATOM 664 N GLN A 48 -3.306 1.377 8.561 1.00 42.55 N ATOM 665 CA GLN A 48 -4.534 0.598 8.666 1.00 24.53 C ATOM 666 C GLN A 48 -5.028 0.172 7.288 1.00 20.20 C ATOM 667 O GLN A 48 -5.713 -0.840 7.150 1.00 12.42 O ATOM 668 CB GLN A 48 -5.617 1.409 9.382 1.00 44.21 C ATOM 669 CG GLN A 48 -5.107 2.166 10.597 1.00 24.01 C ATOM 670 CD GLN A 48 -4.339 1.280 11.557 1.00 71.30 C ATOM 671 OE1 GLN A 48 -3.256 1.640 12.022 1.00 33.25 O ATOM 672 NE2 GLN A 48 -4.895 0.113 11.860 1.00 50.25 N ATOM 0 H GLN A 48 -3.434 2.318 8.190 1.00 42.55 H new ATOM 0 HA GLN A 48 -4.318 -0.299 9.247 1.00 24.53 H new ATOM 0 HB2 GLN A 48 -6.052 2.119 8.679 1.00 44.21 H new ATOM 0 HB3 GLN A 48 -6.417 0.737 9.693 1.00 44.21 H new ATOM 0 HG2 GLN A 48 -4.464 2.982 10.268 1.00 24.01 H new ATOM 0 HG3 GLN A 48 -5.951 2.616 11.120 1.00 24.01 H new ATOM 0 HE21 GLN A 48 -5.793 -0.145 11.452 1.00 50.25 H new ATOM 0 HE22 GLN A 48 -4.424 -0.525 12.501 1.00 50.25 H new ATOM 679 N GLN A 49 -4.676 0.953 6.271 1.00 62.32 N ATOM 680 CA GLN A 49 -5.086 0.656 4.904 1.00 5.22 C ATOM 681 C GLN A 49 -4.203 -0.429 4.295 1.00 21.12 C ATOM 682 O GLN A 49 -2.986 -0.431 4.483 1.00 4.24 O ATOM 683 CB GLN A 49 -5.025 1.920 4.045 1.00 62.31 C ATOM 684 CG GLN A 49 -3.729 2.063 3.263 1.00 34.35 C ATOM 685 CD GLN A 49 -3.567 3.440 2.649 1.00 34.30 C ATOM 686 OE1 GLN A 49 -4.549 4.139 2.395 1.00 42.45 O ATOM 687 NE2 GLN A 49 -2.324 3.838 2.407 1.00 60.24 N ATOM 0 H GLN A 49 -4.109 1.795 6.368 1.00 62.32 H new ATOM 0 HA GLN A 49 -6.113 0.292 4.930 1.00 5.22 H new ATOM 0 HB2 GLN A 49 -5.862 1.915 3.347 1.00 62.31 H new ATOM 0 HB3 GLN A 49 -5.150 2.792 4.687 1.00 62.31 H new ATOM 0 HG2 GLN A 49 -2.886 1.863 3.924 1.00 34.35 H new ATOM 0 HG3 GLN A 49 -3.700 1.312 2.474 1.00 34.35 H new ATOM 0 HE21 GLN A 49 -1.540 3.227 2.633 1.00 60.24 H new ATOM 0 HE22 GLN A 49 -2.153 4.755 1.995 1.00 60.24 H new ATOM 694 N ARG A 50 -4.825 -1.350 3.566 1.00 51.03 N ATOM 695 CA ARG A 50 -4.096 -2.442 2.931 1.00 24.25 C ATOM 696 C ARG A 50 -3.692 -2.069 1.507 1.00 40.52 C ATOM 697 O ARG A 50 -4.433 -1.386 0.798 1.00 74.13 O ATOM 698 CB ARG A 50 -4.949 -3.711 2.915 1.00 41.31 C ATOM 699 CG ARG A 50 -5.879 -3.835 4.111 1.00 50.11 C ATOM 700 CD ARG A 50 -6.309 -5.276 4.335 1.00 72.24 C ATOM 701 NE ARG A 50 -5.175 -6.145 4.643 1.00 23.51 N ATOM 702 CZ ARG A 50 -5.302 -7.387 5.094 1.00 74.13 C ATOM 703 NH1 ARG A 50 -6.506 -7.905 5.290 1.00 71.32 N ATOM 704 NH2 ARG A 50 -4.222 -8.114 5.352 1.00 4.23 N ATOM 0 H ARG A 50 -5.831 -1.362 3.400 1.00 51.03 H new ATOM 0 HA ARG A 50 -3.192 -2.628 3.510 1.00 24.25 H new ATOM 0 HB2 ARG A 50 -5.542 -3.728 2.001 1.00 41.31 H new ATOM 0 HB3 ARG A 50 -4.292 -4.580 2.885 1.00 41.31 H new ATOM 0 HG2 ARG A 50 -5.378 -3.461 5.004 1.00 50.11 H new ATOM 0 HG3 ARG A 50 -6.759 -3.211 3.955 1.00 50.11 H new ATOM 0 HD2 ARG A 50 -7.029 -5.316 5.152 1.00 72.24 H new ATOM 0 HD3 ARG A 50 -6.817 -5.645 3.444 1.00 72.24 H new ATOM 0 HE ARG A 50 -4.234 -5.777 4.504 1.00 23.51 H new ATOM 0 HH11 ARG A 50 -7.338 -7.349 5.094 1.00 71.32 H new ATOM 0 HH12 ARG A 50 -6.600 -8.860 5.637 1.00 71.32 H new ATOM 0 HH21 ARG A 50 -3.294 -7.718 5.204 1.00 4.23 H new ATOM 0 HH22 ARG A 50 -4.320 -9.068 5.699 1.00 4.23 H new ATOM 715 N LEU A 51 -2.514 -2.523 1.094 1.00 71.34 N ATOM 716 CA LEU A 51 -2.010 -2.237 -0.245 1.00 75.05 C ATOM 717 C LEU A 51 -2.362 -3.365 -1.210 1.00 61.31 C ATOM 718 O LEU A 51 -2.105 -4.536 -0.931 1.00 12.54 O ATOM 719 CB LEU A 51 -0.494 -2.036 -0.209 1.00 51.32 C ATOM 720 CG LEU A 51 0.108 -1.265 -1.384 1.00 62.00 C ATOM 721 CD1 LEU A 51 -0.058 0.233 -1.181 1.00 44.13 C ATOM 722 CD2 LEU A 51 1.577 -1.622 -1.559 1.00 10.01 C ATOM 0 H LEU A 51 -1.890 -3.091 1.667 1.00 71.34 H new ATOM 0 HA LEU A 51 -2.483 -1.320 -0.597 1.00 75.05 H new ATOM 0 HB2 LEU A 51 -0.239 -1.513 0.712 1.00 51.32 H new ATOM 0 HB3 LEU A 51 -0.019 -3.016 -0.161 1.00 51.32 H new ATOM 0 HG LEU A 51 -0.425 -1.549 -2.291 1.00 62.00 H new ATOM 0 HD11 LEU A 51 0.376 0.765 -2.027 1.00 44.13 H new ATOM 0 HD12 LEU A 51 -1.118 0.475 -1.106 1.00 44.13 H new ATOM 0 HD13 LEU A 51 0.449 0.534 -0.264 1.00 44.13 H new ATOM 0 HD21 LEU A 51 1.989 -1.064 -2.400 1.00 10.01 H new ATOM 0 HD22 LEU A 51 2.124 -1.367 -0.651 1.00 10.01 H new ATOM 0 HD23 LEU A 51 1.671 -2.691 -1.752 1.00 10.01 H new ATOM 733 N ILE A 52 -2.949 -3.003 -2.345 1.00 31.14 N ATOM 734 CA ILE A 52 -3.332 -3.983 -3.354 1.00 53.34 C ATOM 735 C ILE A 52 -2.856 -3.562 -4.740 1.00 13.01 C ATOM 736 O ILE A 52 -3.258 -2.519 -5.255 1.00 1.11 O ATOM 737 CB ILE A 52 -4.858 -4.188 -3.387 1.00 10.43 C ATOM 738 CG1 ILE A 52 -5.319 -4.959 -2.148 1.00 45.52 C ATOM 739 CG2 ILE A 52 -5.266 -4.921 -4.656 1.00 11.30 C ATOM 740 CD1 ILE A 52 -5.341 -4.123 -0.889 1.00 74.41 C ATOM 0 H ILE A 52 -3.170 -2.038 -2.589 1.00 31.14 H new ATOM 0 HA ILE A 52 -2.853 -4.923 -3.079 1.00 53.34 H new ATOM 0 HB ILE A 52 -5.341 -3.211 -3.383 1.00 10.43 H new ATOM 0 HG12 ILE A 52 -6.318 -5.356 -2.328 1.00 45.52 H new ATOM 0 HG13 ILE A 52 -4.659 -5.813 -1.996 1.00 45.52 H new ATOM 0 HG21 ILE A 52 -6.347 -5.059 -4.665 1.00 11.30 H new ATOM 0 HG22 ILE A 52 -4.967 -4.336 -5.526 1.00 11.30 H new ATOM 0 HG23 ILE A 52 -4.776 -5.894 -4.687 1.00 11.30 H new ATOM 0 HD11 ILE A 52 -5.678 -4.735 -0.052 1.00 74.41 H new ATOM 0 HD12 ILE A 52 -4.338 -3.747 -0.684 1.00 74.41 H new ATOM 0 HD13 ILE A 52 -6.023 -3.283 -1.022 1.00 74.41 H new ATOM 751 N PHE A 53 -1.999 -4.381 -5.339 1.00 53.52 N ATOM 752 CA PHE A 53 -1.468 -4.095 -6.667 1.00 12.21 C ATOM 753 C PHE A 53 -1.752 -5.247 -7.626 1.00 51.13 C ATOM 754 O PHE A 53 -1.391 -6.393 -7.361 1.00 60.33 O ATOM 755 CB PHE A 53 0.038 -3.837 -6.592 1.00 10.44 C ATOM 756 CG PHE A 53 0.728 -3.931 -7.923 1.00 64.54 C ATOM 757 CD1 PHE A 53 0.217 -3.275 -9.031 1.00 10.55 C ATOM 758 CD2 PHE A 53 1.890 -4.674 -8.065 1.00 35.31 C ATOM 759 CE1 PHE A 53 0.850 -3.361 -10.257 1.00 61.00 C ATOM 760 CE2 PHE A 53 2.527 -4.762 -9.289 1.00 73.13 C ATOM 761 CZ PHE A 53 2.007 -4.103 -10.385 1.00 13.41 C ATOM 0 H PHE A 53 -1.657 -5.249 -4.926 1.00 53.52 H new ATOM 0 HA PHE A 53 -1.964 -3.201 -7.045 1.00 12.21 H new ATOM 0 HB2 PHE A 53 0.208 -2.846 -6.172 1.00 10.44 H new ATOM 0 HB3 PHE A 53 0.488 -4.555 -5.907 1.00 10.44 H new ATOM 0 HD1 PHE A 53 -0.686 -2.690 -8.936 1.00 10.55 H new ATOM 0 HD2 PHE A 53 2.302 -5.190 -7.210 1.00 35.31 H new ATOM 0 HE1 PHE A 53 0.440 -2.848 -11.114 1.00 61.00 H new ATOM 0 HE2 PHE A 53 3.430 -5.346 -9.388 1.00 73.13 H new ATOM 0 HZ PHE A 53 2.505 -4.168 -11.341 1.00 13.41 H new ATOM 770 N ALA A 54 -2.401 -4.934 -8.742 1.00 1.33 N ATOM 771 CA ALA A 54 -2.732 -5.942 -9.742 1.00 34.34 C ATOM 772 C ALA A 54 -3.533 -7.084 -9.126 1.00 3.21 C ATOM 773 O ALA A 54 -3.446 -8.227 -9.573 1.00 64.22 O ATOM 774 CB ALA A 54 -1.465 -6.474 -10.395 1.00 62.11 C ATOM 0 H ALA A 54 -2.708 -3.990 -8.977 1.00 1.33 H new ATOM 0 HA ALA A 54 -3.350 -5.471 -10.506 1.00 34.34 H new ATOM 0 HB1 ALA A 54 -1.727 -7.226 -11.139 1.00 62.11 H new ATOM 0 HB2 ALA A 54 -0.933 -5.655 -10.879 1.00 62.11 H new ATOM 0 HB3 ALA A 54 -0.825 -6.923 -9.635 1.00 62.11 H new ATOM 780 N GLY A 55 -4.312 -6.767 -8.096 1.00 4.13 N ATOM 781 CA GLY A 55 -5.115 -7.779 -7.435 1.00 3.15 C ATOM 782 C GLY A 55 -4.362 -8.482 -6.324 1.00 13.13 C ATOM 783 O GLY A 55 -4.961 -9.164 -5.493 1.00 75.24 O ATOM 0 H GLY A 55 -4.401 -5.828 -7.708 1.00 4.13 H new ATOM 0 HA2 GLY A 55 -6.012 -7.316 -7.025 1.00 3.15 H new ATOM 0 HA3 GLY A 55 -5.443 -8.515 -8.169 1.00 3.15 H new ATOM 787 N LYS A 56 -3.043 -8.319 -6.309 1.00 51.12 N ATOM 788 CA LYS A 56 -2.206 -8.944 -5.292 1.00 23.04 C ATOM 789 C LYS A 56 -1.871 -7.954 -4.181 1.00 63.24 C ATOM 790 O LYS A 56 -1.337 -6.876 -4.438 1.00 34.51 O ATOM 791 CB LYS A 56 -0.917 -9.477 -5.922 1.00 60.54 C ATOM 792 CG LYS A 56 -0.068 -10.298 -4.965 1.00 10.52 C ATOM 793 CD LYS A 56 1.375 -10.384 -5.435 1.00 54.12 C ATOM 794 CE LYS A 56 1.495 -11.187 -6.721 1.00 3.22 C ATOM 795 NZ LYS A 56 2.869 -11.117 -7.291 1.00 5.01 N ATOM 0 H LYS A 56 -2.531 -7.759 -6.990 1.00 51.12 H new ATOM 0 HA LYS A 56 -2.762 -9.775 -4.858 1.00 23.04 H new ATOM 0 HB2 LYS A 56 -1.171 -10.090 -6.787 1.00 60.54 H new ATOM 0 HB3 LYS A 56 -0.327 -8.637 -6.289 1.00 60.54 H new ATOM 0 HG2 LYS A 56 -0.102 -9.851 -3.971 1.00 10.52 H new ATOM 0 HG3 LYS A 56 -0.484 -11.302 -4.877 1.00 10.52 H new ATOM 0 HD2 LYS A 56 1.768 -9.380 -5.594 1.00 54.12 H new ATOM 0 HD3 LYS A 56 1.985 -10.845 -4.658 1.00 54.12 H new ATOM 0 HE2 LYS A 56 1.235 -12.227 -6.525 1.00 3.22 H new ATOM 0 HE3 LYS A 56 0.779 -10.812 -7.452 1.00 3.22 H new ATOM 0 HZ1 LYS A 56 2.911 -11.677 -8.167 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 3.108 -10.127 -7.501 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 3.550 -11.499 -6.604 1.00 5.01 H new ATOM 805 N GLN A 57 -2.186 -8.331 -2.945 1.00 64.51 N ATOM 806 CA GLN A 57 -1.917 -7.476 -1.795 1.00 63.42 C ATOM 807 C GLN A 57 -0.453 -7.570 -1.378 1.00 22.43 C ATOM 808 O GLN A 57 0.191 -8.603 -1.561 1.00 23.31 O ATOM 809 CB GLN A 57 -2.819 -7.864 -0.622 1.00 21.32 C ATOM 810 CG GLN A 57 -2.375 -9.128 0.094 1.00 74.35 C ATOM 811 CD GLN A 57 -3.504 -10.125 0.273 1.00 72.23 C ATOM 812 OE1 GLN A 57 -3.917 -10.418 1.395 1.00 41.53 O ATOM 813 NE2 GLN A 57 -4.010 -10.652 -0.836 1.00 23.44 N ATOM 0 H GLN A 57 -2.627 -9.222 -2.715 1.00 64.51 H new ATOM 0 HA GLN A 57 -2.129 -6.446 -2.082 1.00 63.42 H new ATOM 0 HB2 GLN A 57 -2.845 -7.042 0.093 1.00 21.32 H new ATOM 0 HB3 GLN A 57 -3.837 -8.002 -0.987 1.00 21.32 H new ATOM 0 HG2 GLN A 57 -1.568 -9.596 -0.470 1.00 74.35 H new ATOM 0 HG3 GLN A 57 -1.970 -8.864 1.071 1.00 74.35 H new ATOM 0 HE21 GLN A 57 -3.637 -10.381 -1.746 1.00 23.44 H new ATOM 0 HE22 GLN A 57 -4.771 -11.328 -0.778 1.00 23.44 H new ATOM 820 N LEU A 58 0.067 -6.483 -0.816 1.00 44.12 N ATOM 821 CA LEU A 58 1.458 -6.443 -0.373 1.00 12.35 C ATOM 822 C LEU A 58 1.598 -5.613 0.899 1.00 25.12 C ATOM 823 O LEU A 58 0.606 -5.263 1.536 1.00 74.04 O ATOM 824 CB LEU A 58 2.348 -5.865 -1.474 1.00 2.24 C ATOM 825 CG LEU A 58 2.116 -6.414 -2.882 1.00 52.50 C ATOM 826 CD1 LEU A 58 1.104 -5.559 -3.629 1.00 24.23 C ATOM 827 CD2 LEU A 58 3.427 -6.484 -3.650 1.00 4.52 C ATOM 0 H LEU A 58 -0.452 -5.620 -0.656 1.00 44.12 H new ATOM 0 HA LEU A 58 1.776 -7.463 -0.157 1.00 12.35 H new ATOM 0 HB2 LEU A 58 2.205 -4.785 -1.499 1.00 2.24 H new ATOM 0 HB3 LEU A 58 3.389 -6.043 -1.203 1.00 2.24 H new ATOM 0 HG LEU A 58 1.714 -7.424 -2.795 1.00 52.50 H new ATOM 0 HD11 LEU A 58 0.952 -5.965 -4.629 1.00 24.23 H new ATOM 0 HD12 LEU A 58 0.157 -5.561 -3.089 1.00 24.23 H new ATOM 0 HD13 LEU A 58 1.477 -4.537 -3.705 1.00 24.23 H new ATOM 0 HD21 LEU A 58 3.242 -6.877 -4.650 1.00 4.52 H new ATOM 0 HD22 LEU A 58 3.858 -5.486 -3.726 1.00 4.52 H new ATOM 0 HD23 LEU A 58 4.122 -7.140 -3.125 1.00 4.52 H new ATOM 890 N THR A 63 10.214 2.027 -1.225 1.00 34.05 N ATOM 891 CA THR A 63 9.769 2.698 -2.441 1.00 63.44 C ATOM 892 C THR A 63 9.532 1.698 -3.566 1.00 70.24 C ATOM 893 O THR A 63 9.864 0.518 -3.441 1.00 2.42 O ATOM 894 CB THR A 63 10.793 3.748 -2.910 1.00 72.54 C ATOM 895 OG1 THR A 63 11.934 3.098 -3.482 1.00 20.13 O ATOM 896 CG2 THR A 63 11.235 4.629 -1.750 1.00 14.04 C ATOM 0 HA THR A 63 8.831 3.198 -2.200 1.00 63.44 H new ATOM 0 HB THR A 63 10.317 4.376 -3.663 1.00 72.54 H new ATOM 0 HG1 THR A 63 12.089 3.444 -4.386 1.00 20.13 H new ATOM 0 HG21 THR A 63 11.958 5.363 -2.106 1.00 14.04 H new ATOM 0 HG22 THR A 63 10.369 5.145 -1.334 1.00 14.04 H new ATOM 0 HG23 THR A 63 11.694 4.011 -0.978 1.00 14.04 H new ATOM 904 N LEU A 64 8.958 2.176 -4.664 1.00 51.43 N ATOM 905 CA LEU A 64 8.677 1.321 -5.814 1.00 63.31 C ATOM 906 C LEU A 64 9.963 0.964 -6.553 1.00 51.32 C ATOM 907 O LEU A 64 10.147 -0.175 -6.983 1.00 10.42 O ATOM 908 CB LEU A 64 7.706 2.019 -6.767 1.00 73.20 C ATOM 909 CG LEU A 64 6.612 2.864 -6.111 1.00 51.53 C ATOM 910 CD1 LEU A 64 5.602 3.330 -7.149 1.00 42.44 C ATOM 911 CD2 LEU A 64 5.921 2.077 -5.007 1.00 55.55 C ATOM 0 H LEU A 64 8.678 3.150 -4.783 1.00 51.43 H new ATOM 0 HA LEU A 64 8.221 0.401 -5.449 1.00 63.31 H new ATOM 0 HB2 LEU A 64 8.281 2.660 -7.434 1.00 73.20 H new ATOM 0 HB3 LEU A 64 7.228 1.260 -7.387 1.00 73.20 H new ATOM 0 HG LEU A 64 7.077 3.744 -5.666 1.00 51.53 H new ATOM 0 HD11 LEU A 64 4.832 3.929 -6.664 1.00 42.44 H new ATOM 0 HD12 LEU A 64 6.108 3.932 -7.904 1.00 42.44 H new ATOM 0 HD13 LEU A 64 5.142 2.463 -7.624 1.00 42.44 H new ATOM 0 HD21 LEU A 64 5.146 2.693 -4.551 1.00 55.55 H new ATOM 0 HD22 LEU A 64 5.470 1.179 -5.428 1.00 55.55 H new ATOM 0 HD23 LEU A 64 6.652 1.794 -4.249 1.00 55.55 H new ATOM 922 N SER A 65 10.851 1.942 -6.694 1.00 35.44 N ATOM 923 CA SER A 65 12.119 1.732 -7.382 1.00 73.12 C ATOM 924 C SER A 65 13.017 0.788 -6.588 1.00 21.21 C ATOM 925 O SER A 65 13.761 -0.007 -7.162 1.00 73.33 O ATOM 926 CB SER A 65 12.832 3.066 -7.603 1.00 32.32 C ATOM 927 OG SER A 65 14.051 2.884 -8.302 1.00 43.13 O ATOM 0 H SER A 65 10.716 2.889 -6.340 1.00 35.44 H new ATOM 0 HA SER A 65 11.908 1.278 -8.350 1.00 73.12 H new ATOM 0 HB2 SER A 65 12.184 3.739 -8.165 1.00 32.32 H new ATOM 0 HB3 SER A 65 13.028 3.541 -6.642 1.00 32.32 H new ATOM 0 HG SER A 65 14.486 3.752 -8.432 1.00 43.13 H new ATOM 932 N GLU A 66 12.941 0.882 -5.264 1.00 32.43 N ATOM 933 CA GLU A 66 13.747 0.038 -4.390 1.00 65.20 C ATOM 934 C GLU A 66 13.403 -1.435 -4.587 1.00 31.23 C ATOM 935 O GLU A 66 14.230 -2.315 -4.351 1.00 72.43 O ATOM 936 CB GLU A 66 13.537 0.432 -2.926 1.00 3.23 C ATOM 937 CG GLU A 66 14.345 1.646 -2.501 1.00 2.03 C ATOM 938 CD GLU A 66 15.818 1.333 -2.320 1.00 55.11 C ATOM 939 OE1 GLU A 66 16.229 0.201 -2.649 1.00 4.13 O ATOM 940 OE2 GLU A 66 16.559 2.220 -1.848 1.00 65.40 O ATOM 0 H GLU A 66 12.329 1.534 -4.773 1.00 32.43 H new ATOM 0 HA GLU A 66 14.795 0.186 -4.651 1.00 65.20 H new ATOM 0 HB2 GLU A 66 12.479 0.634 -2.761 1.00 3.23 H new ATOM 0 HB3 GLU A 66 13.803 -0.412 -2.290 1.00 3.23 H new ATOM 0 HG2 GLU A 66 14.234 2.432 -3.248 1.00 2.03 H new ATOM 0 HG3 GLU A 66 13.943 2.036 -1.566 1.00 2.03 H new ATOM 945 N TYR A 67 12.174 -1.695 -5.020 1.00 14.03 N ATOM 946 CA TYR A 67 11.716 -3.061 -5.246 1.00 51.55 C ATOM 947 C TYR A 67 11.593 -3.355 -6.738 1.00 24.33 C ATOM 948 O TYR A 67 11.346 -4.491 -7.140 1.00 71.05 O ATOM 949 CB TYR A 67 10.371 -3.291 -4.556 1.00 1.20 C ATOM 950 CG TYR A 67 10.495 -3.865 -3.162 1.00 24.14 C ATOM 951 CD1 TYR A 67 11.198 -5.041 -2.934 1.00 3.32 C ATOM 952 CD2 TYR A 67 9.909 -3.230 -2.074 1.00 1.54 C ATOM 953 CE1 TYR A 67 11.314 -5.569 -1.663 1.00 11.31 C ATOM 954 CE2 TYR A 67 10.021 -3.750 -0.799 1.00 12.35 C ATOM 955 CZ TYR A 67 10.724 -4.920 -0.598 1.00 20.12 C ATOM 956 OH TYR A 67 10.836 -5.441 0.670 1.00 12.22 O ATOM 0 H TYR A 67 11.477 -0.978 -5.221 1.00 14.03 H new ATOM 0 HA TYR A 67 12.455 -3.740 -4.821 1.00 51.55 H new ATOM 0 HB2 TYR A 67 9.833 -2.345 -4.503 1.00 1.20 H new ATOM 0 HB3 TYR A 67 9.770 -3.966 -5.166 1.00 1.20 H new ATOM 0 HD1 TYR A 67 11.662 -5.551 -3.765 1.00 3.32 H new ATOM 0 HD2 TYR A 67 9.357 -2.315 -2.228 1.00 1.54 H new ATOM 0 HE1 TYR A 67 11.864 -6.485 -1.504 1.00 11.31 H new ATOM 0 HE2 TYR A 67 9.561 -3.243 0.036 1.00 12.35 H new ATOM 0 HH TYR A 67 10.365 -4.862 1.304 1.00 12.22 H new ATOM 965 N ASN A 68 11.767 -2.321 -7.555 1.00 74.42 N ATOM 966 CA ASN A 68 11.675 -2.467 -9.002 1.00 24.54 C ATOM 967 C ASN A 68 10.273 -2.901 -9.418 1.00 71.33 C ATOM 968 O ASN A 68 10.110 -3.769 -10.275 1.00 4.44 O ATOM 969 CB ASN A 68 12.705 -3.482 -9.501 1.00 70.24 C ATOM 970 CG ASN A 68 14.077 -3.260 -8.893 1.00 33.43 C ATOM 971 OD1 ASN A 68 14.531 -4.040 -8.055 1.00 25.14 O ATOM 972 ND2 ASN A 68 14.744 -2.191 -9.313 1.00 32.54 N ATOM 0 H ASN A 68 11.972 -1.373 -7.239 1.00 74.42 H new ATOM 0 HA ASN A 68 11.884 -1.497 -9.453 1.00 24.54 H new ATOM 0 HB2 ASN A 68 12.364 -4.489 -9.262 1.00 70.24 H new ATOM 0 HB3 ASN A 68 12.777 -3.419 -10.587 1.00 70.24 H new ATOM 0 HD21 ASN A 68 15.671 -1.989 -8.939 1.00 32.54 H new ATOM 0 HD22 ASN A 68 14.329 -1.572 -10.009 1.00 32.54 H new ATOM 978 N ILE A 69 9.264 -2.292 -8.803 1.00 42.31 N ATOM 979 CA ILE A 69 7.877 -2.615 -9.111 1.00 53.14 C ATOM 980 C ILE A 69 7.175 -1.442 -9.784 1.00 22.23 C ATOM 981 O ILE A 69 7.623 -0.300 -9.686 1.00 11.33 O ATOM 982 CB ILE A 69 7.095 -3.007 -7.842 1.00 64.42 C ATOM 983 CG1 ILE A 69 7.349 -1.990 -6.727 1.00 24.43 C ATOM 984 CG2 ILE A 69 7.486 -4.406 -7.389 1.00 22.51 C ATOM 985 CD1 ILE A 69 6.628 -2.314 -5.437 1.00 40.34 C ATOM 0 H ILE A 69 9.382 -1.573 -8.089 1.00 42.31 H new ATOM 0 HA ILE A 69 7.896 -3.464 -9.794 1.00 53.14 H new ATOM 0 HB ILE A 69 6.030 -3.006 -8.074 1.00 64.42 H new ATOM 0 HG12 ILE A 69 8.420 -1.937 -6.532 1.00 24.43 H new ATOM 0 HG13 ILE A 69 7.038 -1.003 -7.069 1.00 24.43 H new ATOM 0 HG21 ILE A 69 6.925 -4.668 -6.492 1.00 22.51 H new ATOM 0 HG22 ILE A 69 7.260 -5.121 -8.180 1.00 22.51 H new ATOM 0 HG23 ILE A 69 8.553 -4.433 -7.170 1.00 22.51 H new ATOM 0 HD11 ILE A 69 6.854 -1.551 -4.692 1.00 40.34 H new ATOM 0 HD12 ILE A 69 5.553 -2.338 -5.617 1.00 40.34 H new ATOM 0 HD13 ILE A 69 6.956 -3.287 -5.071 1.00 40.34 H new ATOM 996 N GLN A 70 6.072 -1.732 -10.467 1.00 4.40 N ATOM 997 CA GLN A 70 5.307 -0.699 -11.157 1.00 40.42 C ATOM 998 C GLN A 70 4.085 -0.291 -10.342 1.00 60.34 C ATOM 999 O GLN A 70 2.954 -0.347 -10.826 1.00 43.04 O ATOM 1000 CB GLN A 70 4.872 -1.194 -12.538 1.00 63.14 C ATOM 1001 CG GLN A 70 4.112 -2.510 -12.501 1.00 75.40 C ATOM 1002 CD GLN A 70 3.693 -2.980 -13.879 1.00 4.30 C ATOM 1003 OE1 GLN A 70 4.524 -3.407 -14.681 1.00 63.04 O ATOM 1004 NE2 GLN A 70 2.398 -2.906 -14.163 1.00 30.23 N ATOM 0 H GLN A 70 5.688 -2.673 -10.557 1.00 4.40 H new ATOM 0 HA GLN A 70 5.949 0.174 -11.277 1.00 40.42 H new ATOM 0 HB2 GLN A 70 4.245 -0.435 -13.006 1.00 63.14 H new ATOM 0 HB3 GLN A 70 5.754 -1.311 -13.167 1.00 63.14 H new ATOM 0 HG2 GLN A 70 4.736 -3.273 -12.035 1.00 75.40 H new ATOM 0 HG3 GLN A 70 3.227 -2.397 -11.875 1.00 75.40 H new ATOM 0 HE21 GLN A 70 1.743 -2.546 -13.469 1.00 30.23 H new ATOM 0 HE22 GLN A 70 2.058 -3.210 -15.075 1.00 30.23 H new ATOM 1011 N LYS A 71 4.320 0.121 -9.100 1.00 22.15 N ATOM 1012 CA LYS A 71 3.239 0.541 -8.216 1.00 10.15 C ATOM 1013 C LYS A 71 2.756 1.943 -8.574 1.00 44.01 C ATOM 1014 O LYS A 71 1.796 2.446 -7.991 1.00 53.15 O ATOM 1015 CB LYS A 71 3.703 0.507 -6.757 1.00 2.42 C ATOM 1016 CG LYS A 71 3.218 -0.714 -5.995 1.00 72.34 C ATOM 1017 CD LYS A 71 2.930 -0.383 -4.540 1.00 74.30 C ATOM 1018 CE LYS A 71 4.115 -0.713 -3.647 1.00 73.01 C ATOM 1019 NZ LYS A 71 4.268 -2.180 -3.448 1.00 43.45 N ATOM 0 H LYS A 71 5.250 0.173 -8.683 1.00 22.15 H new ATOM 0 HA LYS A 71 2.409 -0.154 -8.344 1.00 10.15 H new ATOM 0 HB2 LYS A 71 4.792 0.533 -6.730 1.00 2.42 H new ATOM 0 HB3 LYS A 71 3.350 1.405 -6.251 1.00 2.42 H new ATOM 0 HG2 LYS A 71 2.316 -1.104 -6.466 1.00 72.34 H new ATOM 0 HG3 LYS A 71 3.971 -1.500 -6.048 1.00 72.34 H new ATOM 0 HD2 LYS A 71 2.688 0.676 -4.448 1.00 74.30 H new ATOM 0 HD3 LYS A 71 2.055 -0.940 -4.206 1.00 74.30 H new ATOM 0 HE2 LYS A 71 5.026 -0.310 -4.089 1.00 73.01 H new ATOM 0 HE3 LYS A 71 3.987 -0.227 -2.680 1.00 73.01 H new ATOM 0 HZ1 LYS A 71 5.259 -2.398 -3.220 1.00 43.45 H new ATOM 0 HZ2 LYS A 71 3.657 -2.490 -2.666 1.00 43.45 H new ATOM 0 HZ3 LYS A 71 3.996 -2.679 -4.319 1.00 43.45 H new ATOM 1029 N GLU A 72 3.426 2.567 -9.537 1.00 65.45 N ATOM 1030 CA GLU A 72 3.065 3.911 -9.972 1.00 12.15 C ATOM 1031 C GLU A 72 2.128 3.859 -11.177 1.00 73.44 C ATOM 1032 O GLU A 72 2.189 4.713 -12.061 1.00 50.14 O ATOM 1033 CB GLU A 72 4.320 4.713 -10.323 1.00 73.10 C ATOM 1034 CG GLU A 72 4.074 6.209 -10.433 1.00 51.45 C ATOM 1035 CD GLU A 72 4.964 6.871 -11.467 1.00 32.31 C ATOM 1036 OE1 GLU A 72 5.975 6.253 -11.862 1.00 1.01 O ATOM 1037 OE2 GLU A 72 4.650 8.006 -11.881 1.00 61.40 O ATOM 0 H GLU A 72 4.222 2.163 -10.031 1.00 65.45 H new ATOM 0 HA GLU A 72 2.546 4.404 -9.150 1.00 12.15 H new ATOM 0 HB2 GLU A 72 5.081 4.533 -9.563 1.00 73.10 H new ATOM 0 HB3 GLU A 72 4.722 4.349 -11.269 1.00 73.10 H new ATOM 0 HG2 GLU A 72 3.030 6.384 -10.692 1.00 51.45 H new ATOM 0 HG3 GLU A 72 4.243 6.674 -9.462 1.00 51.45 H new ATOM 1042 N SER A 73 1.263 2.850 -11.202 1.00 1.22 N ATOM 1043 CA SER A 73 0.317 2.683 -12.299 1.00 12.12 C ATOM 1044 C SER A 73 -1.114 2.606 -11.775 1.00 31.52 C ATOM 1045 O SER A 73 -1.868 3.578 -11.847 1.00 0.41 O ATOM 1046 CB SER A 73 0.647 1.421 -13.098 1.00 2.14 C ATOM 1047 OG SER A 73 1.775 1.627 -13.932 1.00 14.44 O ATOM 0 H SER A 73 1.198 2.137 -10.476 1.00 1.22 H new ATOM 0 HA SER A 73 0.401 3.551 -12.953 1.00 12.12 H new ATOM 0 HB2 SER A 73 0.842 0.594 -12.415 1.00 2.14 H new ATOM 0 HB3 SER A 73 -0.212 1.136 -13.706 1.00 2.14 H new ATOM 0 HG SER A 73 1.967 0.806 -14.431 1.00 14.44 H new ATOM 1052 N THR A 74 -1.483 1.444 -11.246 1.00 61.21 N ATOM 1053 CA THR A 74 -2.822 1.239 -10.710 1.00 40.53 C ATOM 1054 C THR A 74 -2.772 0.530 -9.361 1.00 54.33 C ATOM 1055 O THR A 74 -2.461 -0.660 -9.283 1.00 22.21 O ATOM 1056 CB THR A 74 -3.694 0.415 -11.676 1.00 4.44 C ATOM 1057 OG1 THR A 74 -3.214 0.566 -13.018 1.00 42.44 O ATOM 1058 CG2 THR A 74 -5.148 0.853 -11.601 1.00 71.10 C ATOM 0 H THR A 74 -0.872 0.630 -11.177 1.00 61.21 H new ATOM 0 HA THR A 74 -3.265 2.227 -10.583 1.00 40.53 H new ATOM 0 HB THR A 74 -3.632 -0.633 -11.383 1.00 4.44 H new ATOM 0 HG1 THR A 74 -3.772 0.038 -13.626 1.00 42.44 H new ATOM 0 HG21 THR A 74 -5.744 0.257 -12.292 1.00 71.10 H new ATOM 0 HG22 THR A 74 -5.519 0.711 -10.586 1.00 71.10 H new ATOM 0 HG23 THR A 74 -5.225 1.906 -11.871 1.00 71.10 H new ATOM 1066 N LEU A 75 -3.081 1.267 -8.300 1.00 70.22 N ATOM 1067 CA LEU A 75 -3.072 0.708 -6.952 1.00 21.53 C ATOM 1068 C LEU A 75 -4.354 1.064 -6.206 1.00 22.44 C ATOM 1069 O LEU A 75 -4.982 2.087 -6.483 1.00 24.00 O ATOM 1070 CB LEU A 75 -1.858 1.219 -6.175 1.00 65.55 C ATOM 1071 CG LEU A 75 -0.722 0.216 -5.967 1.00 12.33 C ATOM 1072 CD1 LEU A 75 -1.048 -0.730 -4.821 1.00 21.44 C ATOM 1073 CD2 LEU A 75 -0.460 -0.564 -7.247 1.00 15.35 C ATOM 0 H LEU A 75 -3.341 2.252 -8.346 1.00 70.22 H new ATOM 0 HA LEU A 75 -3.012 -0.377 -7.036 1.00 21.53 H new ATOM 0 HB2 LEU A 75 -1.457 2.088 -6.697 1.00 65.55 H new ATOM 0 HB3 LEU A 75 -2.196 1.562 -5.197 1.00 65.55 H new ATOM 0 HG LEU A 75 0.182 0.767 -5.709 1.00 12.33 H new ATOM 0 HD11 LEU A 75 -0.229 -1.436 -4.688 1.00 21.44 H new ATOM 0 HD12 LEU A 75 -1.186 -0.157 -3.904 1.00 21.44 H new ATOM 0 HD13 LEU A 75 -1.964 -1.276 -5.049 1.00 21.44 H new ATOM 0 HD21 LEU A 75 0.351 -1.273 -7.081 1.00 15.35 H new ATOM 0 HD22 LEU A 75 -1.362 -1.105 -7.535 1.00 15.35 H new ATOM 0 HD23 LEU A 75 -0.182 0.126 -8.043 1.00 15.35 H new ATOM 1084 N HIS A 76 -4.737 0.216 -5.257 1.00 3.42 N ATOM 1085 CA HIS A 76 -5.942 0.443 -4.468 1.00 2.34 C ATOM 1086 C HIS A 76 -5.684 0.172 -2.990 1.00 73.12 C ATOM 1087 O HIS A 76 -5.548 -0.981 -2.574 1.00 22.45 O ATOM 1088 CB HIS A 76 -7.081 -0.445 -4.971 1.00 43.11 C ATOM 1089 CG HIS A 76 -8.114 -0.743 -3.929 1.00 72.53 C ATOM 1090 ND1 HIS A 76 -8.774 -1.950 -3.847 1.00 34.03 N ATOM 1091 CD2 HIS A 76 -8.598 0.019 -2.919 1.00 2.11 C ATOM 1092 CE1 HIS A 76 -9.621 -1.917 -2.833 1.00 14.52 C ATOM 1093 NE2 HIS A 76 -9.533 -0.734 -2.254 1.00 12.32 N ATOM 0 H HIS A 76 -4.230 -0.635 -5.016 1.00 3.42 H new ATOM 0 HA HIS A 76 -6.229 1.488 -4.582 1.00 2.34 H new ATOM 0 HB2 HIS A 76 -7.563 0.042 -5.819 1.00 43.11 H new ATOM 0 HB3 HIS A 76 -6.664 -1.384 -5.336 1.00 43.11 H new ATOM 0 HD2 HIS A 76 -8.303 1.030 -2.681 1.00 2.11 H new ATOM 0 HE1 HIS A 76 -10.274 -2.722 -2.530 1.00 14.52 H new ATOM 0 HE2 HIS A 76 -10.072 -0.429 -1.444 1.00 12.32 H new ATOM 1100 N LEU A 77 -5.617 1.238 -2.201 1.00 65.54 N ATOM 1101 CA LEU A 77 -5.374 1.115 -0.768 1.00 63.03 C ATOM 1102 C LEU A 77 -6.359 1.967 0.027 1.00 53.33 C ATOM 1103 O LEU A 77 -6.132 3.157 0.245 1.00 2.24 O ATOM 1104 CB LEU A 77 -3.939 1.530 -0.435 1.00 10.45 C ATOM 1105 CG LEU A 77 -3.313 2.573 -1.361 1.00 64.44 C ATOM 1106 CD1 LEU A 77 -2.290 3.410 -0.606 1.00 71.31 C ATOM 1107 CD2 LEU A 77 -2.669 1.901 -2.565 1.00 32.20 C ATOM 0 H LEU A 77 -5.728 2.197 -2.529 1.00 65.54 H new ATOM 0 HA LEU A 77 -5.517 0.071 -0.489 1.00 63.03 H new ATOM 0 HB2 LEU A 77 -3.921 1.919 0.583 1.00 10.45 H new ATOM 0 HB3 LEU A 77 -3.312 0.639 -0.447 1.00 10.45 H new ATOM 0 HG LEU A 77 -4.103 3.234 -1.719 1.00 64.44 H new ATOM 0 HD11 LEU A 77 -1.854 4.147 -1.280 1.00 71.31 H new ATOM 0 HD12 LEU A 77 -2.779 3.921 0.223 1.00 71.31 H new ATOM 0 HD13 LEU A 77 -1.503 2.762 -0.220 1.00 71.31 H new ATOM 0 HD21 LEU A 77 -2.229 2.659 -3.213 1.00 32.20 H new ATOM 0 HD22 LEU A 77 -1.891 1.217 -2.227 1.00 32.20 H new ATOM 0 HD23 LEU A 77 -3.425 1.345 -3.119 1.00 32.20 H new ATOM 1118 N VAL A 78 -7.453 1.348 0.460 1.00 51.14 N ATOM 1119 CA VAL A 78 -8.472 2.048 1.234 1.00 64.43 C ATOM 1120 C VAL A 78 -9.158 1.107 2.217 1.00 12.52 C ATOM 1121 O VAL A 78 -9.549 -0.005 1.859 1.00 44.14 O ATOM 1122 CB VAL A 78 -9.535 2.681 0.317 1.00 64.44 C ATOM 1123 CG1 VAL A 78 -10.383 3.677 1.094 1.00 33.45 C ATOM 1124 CG2 VAL A 78 -8.877 3.349 -0.880 1.00 25.04 C ATOM 0 H VAL A 78 -7.656 0.363 0.288 1.00 51.14 H new ATOM 0 HA VAL A 78 -7.964 2.838 1.787 1.00 64.43 H new ATOM 0 HB VAL A 78 -10.189 1.891 -0.052 1.00 64.44 H new ATOM 0 HG11 VAL A 78 -11.129 4.115 0.431 1.00 33.45 H new ATOM 0 HG12 VAL A 78 -10.884 3.165 1.916 1.00 33.45 H new ATOM 0 HG13 VAL A 78 -9.745 4.465 1.493 1.00 33.45 H new ATOM 0 HG21 VAL A 78 -9.643 3.791 -1.517 1.00 25.04 H new ATOM 0 HG22 VAL A 78 -8.199 4.129 -0.534 1.00 25.04 H new ATOM 0 HG23 VAL A 78 -8.317 2.607 -1.448 1.00 25.04 H new ATOM 1134 N LEU A 79 -9.304 1.559 3.457 1.00 60.51 N ATOM 1135 CA LEU A 79 -9.945 0.758 4.494 1.00 61.31 C ATOM 1136 C LEU A 79 -11.237 1.415 4.968 1.00 54.44 C ATOM 1137 O LEU A 79 -11.212 2.460 5.617 1.00 12.13 O ATOM 1138 CB LEU A 79 -8.994 0.564 5.677 1.00 54.21 C ATOM 1139 CG LEU A 79 -9.417 -0.479 6.712 1.00 61.50 C ATOM 1140 CD1 LEU A 79 -9.487 -1.861 6.082 1.00 5.11 C ATOM 1141 CD2 LEU A 79 -8.456 -0.478 7.893 1.00 20.24 C ATOM 0 H LEU A 79 -8.987 2.477 3.769 1.00 60.51 H new ATOM 0 HA LEU A 79 -10.189 -0.215 4.068 1.00 61.31 H new ATOM 0 HB2 LEU A 79 -8.015 0.285 5.288 1.00 54.21 H new ATOM 0 HB3 LEU A 79 -8.875 1.522 6.183 1.00 54.21 H new ATOM 0 HG LEU A 79 -10.411 -0.218 7.076 1.00 61.50 H new ATOM 0 HD11 LEU A 79 -9.790 -2.589 6.835 1.00 5.11 H new ATOM 0 HD12 LEU A 79 -10.214 -1.854 5.270 1.00 5.11 H new ATOM 0 HD13 LEU A 79 -8.507 -2.132 5.689 1.00 5.11 H new ATOM 0 HD21 LEU A 79 -8.772 -1.226 8.620 1.00 20.24 H new ATOM 0 HD22 LEU A 79 -7.450 -0.713 7.544 1.00 20.24 H new ATOM 0 HD23 LEU A 79 -8.457 0.506 8.362 1.00 20.24 H new ATOM 1152 N ARG A 80 -12.366 0.792 4.641 1.00 45.41 N ATOM 1153 CA ARG A 80 -13.668 1.315 5.034 1.00 11.22 C ATOM 1154 C ARG A 80 -13.748 2.818 4.784 1.00 13.41 C ATOM 1155 O ARG A 80 -13.758 3.615 5.722 1.00 54.22 O ATOM 1156 CB ARG A 80 -13.937 1.018 6.510 1.00 44.22 C ATOM 1157 CG ARG A 80 -15.369 1.294 6.937 1.00 41.43 C ATOM 1158 CD ARG A 80 -15.438 1.788 8.373 1.00 24.10 C ATOM 1159 NE ARG A 80 -14.935 0.794 9.318 1.00 42.52 N ATOM 1160 CZ ARG A 80 -15.059 0.904 10.636 1.00 14.23 C ATOM 1161 NH1 ARG A 80 -15.668 1.958 11.161 1.00 63.34 N ATOM 1162 NH2 ARG A 80 -14.576 -0.043 11.431 1.00 11.15 N ATOM 0 H ARG A 80 -12.404 -0.075 4.105 1.00 45.41 H new ATOM 0 HA ARG A 80 -14.427 0.822 4.427 1.00 11.22 H new ATOM 0 HB2 ARG A 80 -13.703 -0.028 6.710 1.00 44.22 H new ATOM 0 HB3 ARG A 80 -13.263 1.618 7.121 1.00 44.22 H new ATOM 0 HG2 ARG A 80 -15.810 2.038 6.274 1.00 41.43 H new ATOM 0 HG3 ARG A 80 -15.962 0.385 6.835 1.00 41.43 H new ATOM 0 HD2 ARG A 80 -14.858 2.706 8.469 1.00 24.10 H new ATOM 0 HD3 ARG A 80 -16.470 2.036 8.622 1.00 24.10 H new ATOM 0 HE ARG A 80 -14.463 -0.030 8.945 1.00 42.52 H new ATOM 0 HH11 ARG A 80 -16.042 2.686 10.553 1.00 63.34 H new ATOM 0 HH12 ARG A 80 -15.762 2.041 12.173 1.00 63.34 H new ATOM 0 HH21 ARG A 80 -14.109 -0.856 11.030 1.00 11.15 H new ATOM 0 HH22 ARG A 80 -14.672 0.043 12.443 1.00 11.15 H new ATOM 1173 N LEU A 81 -13.805 3.198 3.512 1.00 34.31 N ATOM 1174 CA LEU A 81 -13.885 4.606 3.138 1.00 22.34 C ATOM 1175 C LEU A 81 -15.005 5.310 3.898 1.00 50.31 C ATOM 1176 O LEU A 81 -15.827 4.665 4.549 1.00 50.25 O ATOM 1177 CB LEU A 81 -14.112 4.741 1.631 1.00 13.03 C ATOM 1178 CG LEU A 81 -15.521 4.413 1.132 1.00 71.25 C ATOM 1179 CD1 LEU A 81 -16.033 3.138 1.783 1.00 61.54 C ATOM 1180 CD2 LEU A 81 -16.467 5.572 1.408 1.00 2.05 C ATOM 0 H LEU A 81 -13.797 2.552 2.723 1.00 34.31 H new ATOM 0 HA LEU A 81 -12.940 5.080 3.401 1.00 22.34 H new ATOM 0 HB2 LEU A 81 -13.873 5.763 1.338 1.00 13.03 H new ATOM 0 HB3 LEU A 81 -13.405 4.089 1.118 1.00 13.03 H new ATOM 0 HG LEU A 81 -15.477 4.255 0.054 1.00 71.25 H new ATOM 0 HD11 LEU A 81 -17.036 2.920 1.417 1.00 61.54 H new ATOM 0 HD12 LEU A 81 -15.368 2.311 1.535 1.00 61.54 H new ATOM 0 HD13 LEU A 81 -16.062 3.268 2.865 1.00 61.54 H new ATOM 0 HD21 LEU A 81 -17.464 5.322 1.047 1.00 2.05 H new ATOM 0 HD22 LEU A 81 -16.507 5.762 2.481 1.00 2.05 H new ATOM 0 HD23 LEU A 81 -16.109 6.464 0.895 1.00 2.05 H new