USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=11 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 63 LYS NZ :NH3+ -110:sc= 0.0104 (180deg=-0.841) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0183 USER MOD Set 1.3: A 93 THR OG1 : rot -9:sc= -1.42 USER MOD Single : A 9 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.039) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.836 USER MOD Single : A 15 SER OG : rot 50:sc= 1.09 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= 0.167 (180deg=0.00373) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -116:sc= 0.283 USER MOD Single : A 99 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.79) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 109 LYS NZ :NH3+ -160:sc= -0.105 (180deg=-0.583) USER MOD Single : A 112 ASN : amide:sc= -2.58 K(o=-2.6,f=-5!) USER MOD Single : A 124 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.1) USER MOD Single : A 125 GLN : amide:sc= -3.17 K(o=-3.2,f=-6.5!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.7 K(o=-0.7,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.299 2.324 -3.406 1.00 22.41 N ATOM 95 CA HIS A 9 -15.497 2.657 -4.168 1.00 40.14 C ATOM 96 C HIS A 9 -16.714 2.748 -3.254 1.00 0.44 C ATOM 97 O HIS A 9 -16.715 2.207 -2.148 1.00 31.34 O ATOM 98 CB HIS A 9 -15.740 1.611 -5.257 1.00 13.31 C ATOM 99 CG HIS A 9 -15.127 1.967 -6.577 1.00 14.24 C ATOM 100 ND1 HIS A 9 -15.387 1.273 -7.739 1.00 60.14 N ATOM 101 CD2 HIS A 9 -14.264 2.952 -6.915 1.00 65.44 C ATOM 102 CE1 HIS A 9 -14.709 1.814 -8.735 1.00 42.51 C ATOM 103 NE2 HIS A 9 -14.019 2.836 -8.261 1.00 14.34 N ATOM 0 HA HIS A 9 -15.342 3.629 -4.636 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -15.338 0.653 -4.926 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -16.814 1.478 -5.388 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -13.845 3.692 -6.250 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -14.717 1.478 -9.761 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -13.404 3.440 -8.806 1.00 14.34 H new ATOM 111 N ILE A 10 -17.750 3.438 -3.723 1.00 62.41 N ATOM 112 CA ILE A 10 -18.973 3.600 -2.947 1.00 5.23 C ATOM 113 C ILE A 10 -20.189 3.115 -3.730 1.00 41.15 C ATOM 114 O ILE A 10 -20.266 3.291 -4.945 1.00 13.04 O ATOM 115 CB ILE A 10 -19.191 5.068 -2.540 1.00 51.44 C ATOM 116 CG1 ILE A 10 -18.023 5.562 -1.684 1.00 72.52 C ATOM 117 CG2 ILE A 10 -20.506 5.222 -1.790 1.00 54.40 C ATOM 118 CD1 ILE A 10 -18.152 7.009 -1.261 1.00 33.02 C ATOM 0 H ILE A 10 -17.766 3.893 -4.636 1.00 62.41 H new ATOM 0 HA ILE A 10 -18.858 2.996 -2.047 1.00 5.23 H new ATOM 0 HB ILE A 10 -19.238 5.676 -3.444 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -17.946 4.937 -0.794 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -17.095 5.437 -2.243 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -20.645 6.266 -1.509 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -21.329 4.906 -2.431 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.487 4.604 -0.892 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -17.289 7.290 -0.657 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -18.198 7.644 -2.146 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -19.062 7.137 -0.675 1.00 33.02 H new ATOM 130 N GLU A 11 -21.136 2.506 -3.024 1.00 14.33 N ATOM 131 CA GLU A 11 -22.348 1.996 -3.653 1.00 21.25 C ATOM 132 C GLU A 11 -23.382 3.106 -3.818 1.00 42.40 C ATOM 133 O GLU A 11 -23.299 4.147 -3.169 1.00 51.11 O ATOM 134 CB GLU A 11 -22.938 0.853 -2.825 1.00 50.43 C ATOM 135 CG GLU A 11 -23.137 -0.431 -3.613 1.00 44.11 C ATOM 136 CD GLU A 11 -21.886 -0.859 -4.354 1.00 11.42 C ATOM 137 OE1 GLU A 11 -21.061 -1.582 -3.759 1.00 55.02 O ATOM 138 OE2 GLU A 11 -21.733 -0.470 -5.532 1.00 31.51 O1- ATOM 0 H GLU A 11 -21.087 2.354 -2.017 1.00 14.33 H new ATOM 0 HA GLU A 11 -22.083 1.619 -4.641 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -22.281 0.652 -1.979 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -23.897 1.170 -2.415 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -23.443 -1.227 -2.933 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -23.949 -0.293 -4.327 1.00 44.11 H new ATOM 145 N GLU A 12 -24.357 2.874 -4.693 1.00 22.22 N ATOM 146 CA GLU A 12 -25.406 3.855 -4.944 1.00 35.34 C ATOM 147 C GLU A 12 -26.753 3.169 -5.155 1.00 30.44 C ATOM 148 O GLU A 12 -26.963 2.482 -6.155 1.00 41.32 O ATOM 149 CB GLU A 12 -25.059 4.705 -6.168 1.00 64.20 C ATOM 150 CG GLU A 12 -26.032 5.845 -6.414 1.00 75.35 C ATOM 151 CD GLU A 12 -25.614 6.728 -7.574 1.00 25.02 C ATOM 152 OE1 GLU A 12 -24.895 6.233 -8.466 1.00 51.50 O ATOM 153 OE2 GLU A 12 -26.008 7.913 -7.589 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.441 2.016 -5.239 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.479 4.502 -4.070 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -24.057 5.115 -6.043 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -25.033 4.064 -7.049 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -27.023 5.436 -6.612 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -26.112 6.451 -5.511 1.00 75.35 H new ATOM 160 N TYR A 13 -27.662 3.359 -4.204 1.00 22.50 N ATOM 161 CA TYR A 13 -28.987 2.757 -4.283 1.00 61.54 C ATOM 162 C TYR A 13 -30.066 3.828 -4.415 1.00 2.15 C ATOM 163 O TYR A 13 -29.921 4.936 -3.898 1.00 12.31 O ATOM 164 CB TYR A 13 -29.254 1.898 -3.044 1.00 3.33 C ATOM 165 CG TYR A 13 -28.429 0.633 -2.996 1.00 52.40 C ATOM 166 CD1 TYR A 13 -27.132 0.644 -2.498 1.00 2.40 C ATOM 167 CD2 TYR A 13 -28.946 -0.575 -3.450 1.00 44.14 C ATOM 168 CE1 TYR A 13 -26.373 -0.509 -2.454 1.00 40.42 C ATOM 169 CE2 TYR A 13 -28.195 -1.735 -3.407 1.00 2.10 C ATOM 170 CZ TYR A 13 -26.909 -1.697 -2.908 1.00 52.02 C ATOM 171 OH TYR A 13 -26.159 -2.848 -2.865 1.00 41.41 O ATOM 0 H TYR A 13 -27.505 3.925 -3.370 1.00 22.50 H new ATOM 0 HA TYR A 13 -29.019 2.125 -5.170 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -29.050 2.489 -2.151 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -30.311 1.634 -3.016 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -26.710 1.571 -2.139 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -29.951 -0.608 -3.843 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -25.365 -0.481 -2.066 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -28.612 -2.666 -3.762 1.00 2.10 H new ATOM 0 HH TYR A 13 -25.531 -2.802 -2.114 1.00 41.41 H new ATOM 181 N GLU A 14 -31.147 3.488 -5.109 1.00 51.13 N ATOM 182 CA GLU A 14 -32.250 4.420 -5.309 1.00 44.05 C ATOM 183 C GLU A 14 -33.523 3.908 -4.642 1.00 34.43 C ATOM 184 O GLU A 14 -33.833 2.718 -4.703 1.00 43.23 O ATOM 185 CB GLU A 14 -32.497 4.639 -6.803 1.00 41.01 C ATOM 186 CG GLU A 14 -32.951 6.049 -7.144 1.00 63.43 C ATOM 187 CD GLU A 14 -32.991 6.302 -8.639 1.00 53.14 C ATOM 188 OE1 GLU A 14 -31.913 6.308 -9.269 1.00 2.11 O ATOM 189 OE2 GLU A 14 -34.102 6.495 -9.177 1.00 40.11 O1- ATOM 0 H GLU A 14 -31.283 2.574 -5.542 1.00 51.13 H new ATOM 0 HA GLU A 14 -31.977 5.370 -4.850 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.580 4.419 -7.350 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -33.251 3.930 -7.146 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -33.942 6.220 -6.724 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -32.278 6.767 -6.675 1.00 63.43 H new ATOM 196 N SER A 15 -34.256 4.815 -4.005 1.00 45.22 N ATOM 197 CA SER A 15 -35.495 4.455 -3.322 1.00 21.12 C ATOM 198 C SER A 15 -36.493 5.608 -3.364 1.00 40.40 C ATOM 199 O SER A 15 -36.323 6.615 -2.679 1.00 61.11 O ATOM 200 CB SER A 15 -35.206 4.068 -1.871 1.00 50.55 C ATOM 201 OG SER A 15 -33.916 4.499 -1.474 1.00 60.35 O ATOM 0 H SER A 15 -34.014 5.804 -3.947 1.00 45.22 H new ATOM 0 HA SER A 15 -35.932 3.601 -3.839 1.00 21.12 H new ATOM 0 HB2 SER A 15 -35.958 4.510 -1.217 1.00 50.55 H new ATOM 0 HB3 SER A 15 -35.282 2.987 -1.758 1.00 50.55 H new ATOM 0 HG SER A 15 -33.804 5.446 -1.699 1.00 60.35 H new ATOM 207 N GLU A 16 -37.535 5.450 -4.175 1.00 11.34 N ATOM 208 CA GLU A 16 -38.561 6.478 -4.307 1.00 40.23 C ATOM 209 C GLU A 16 -39.956 5.875 -4.175 1.00 3.23 C ATOM 210 O GLU A 16 -40.239 4.813 -4.728 1.00 64.35 O ATOM 211 CB GLU A 16 -38.428 7.192 -5.655 1.00 4.30 C ATOM 212 CG GLU A 16 -38.962 6.385 -6.826 1.00 43.20 C ATOM 213 CD GLU A 16 -38.374 6.823 -8.153 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.673 7.856 -8.180 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.613 6.132 -9.165 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.691 4.622 -4.749 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.419 7.202 -3.504 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -38.959 8.142 -5.607 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.378 7.423 -5.832 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -38.741 5.330 -6.666 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -40.047 6.482 -6.864 1.00 43.20 H new ATOM 222 N ALA A 17 -40.823 6.559 -3.436 1.00 45.31 N ATOM 223 CA ALA A 17 -42.188 6.092 -3.231 1.00 31.31 C ATOM 224 C ALA A 17 -43.010 6.219 -4.510 1.00 53.14 C ATOM 225 O ALA A 17 -43.516 7.294 -4.831 1.00 52.54 O ATOM 226 CB ALA A 17 -42.847 6.868 -2.101 1.00 33.40 C ATOM 0 H ALA A 17 -40.604 7.439 -2.969 1.00 45.31 H new ATOM 0 HA ALA A 17 -42.147 5.037 -2.959 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -43.866 6.509 -1.959 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -42.280 6.724 -1.181 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.868 7.929 -2.352 1.00 33.40 H new ATOM 232 N ARG A 18 -43.135 5.113 -5.238 1.00 33.11 N ATOM 233 CA ARG A 18 -43.893 5.101 -6.483 1.00 74.51 C ATOM 234 C ARG A 18 -45.386 4.942 -6.210 1.00 1.22 C ATOM 235 O ARG A 18 -45.791 4.125 -5.382 1.00 0.43 O ATOM 236 CB ARG A 18 -43.406 3.970 -7.391 1.00 24.01 C ATOM 237 CG ARG A 18 -41.909 3.998 -7.648 1.00 71.34 C ATOM 238 CD ARG A 18 -41.408 2.659 -8.169 1.00 21.32 C ATOM 239 NE ARG A 18 -40.805 2.779 -9.493 1.00 34.15 N ATOM 240 CZ ARG A 18 -41.510 2.859 -10.617 1.00 3.12 C ATOM 241 NH1 ARG A 18 -42.834 2.833 -10.576 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -40.888 2.966 -11.784 1.00 33.24 N ATOM 0 H ARG A 18 -42.721 4.215 -4.987 1.00 33.11 H new ATOM 0 HA ARG A 18 -43.733 6.055 -6.985 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -43.671 3.014 -6.940 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -43.931 4.029 -8.344 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -41.677 4.781 -8.371 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.385 4.250 -6.726 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -40.676 2.250 -7.473 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -42.237 1.953 -8.211 1.00 21.32 H new ATOM 0 HE ARG A 18 -39.787 2.803 -9.559 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -43.315 2.751 -9.680 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -43.372 2.895 -11.440 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -39.869 2.987 -11.819 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -41.429 3.027 -12.647 1.00 33.24 H new ATOM 256 N ASP A 19 -46.197 5.726 -6.910 1.00 32.20 N ATOM 257 CA ASP A 19 -47.646 5.671 -6.744 1.00 41.34 C ATOM 258 C ASP A 19 -48.197 4.332 -7.220 1.00 44.41 C ATOM 259 O ASP A 19 -47.859 3.858 -8.305 1.00 5.35 O ATOM 260 CB ASP A 19 -48.312 6.814 -7.512 1.00 22.55 C ATOM 261 CG ASP A 19 -48.121 6.692 -9.011 1.00 73.34 C ATOM 262 OD1 ASP A 19 -46.969 6.489 -9.448 1.00 3.01 O ATOM 263 OD2 ASP A 19 -49.125 6.800 -9.748 1.00 24.34 O1- ATOM 0 H ASP A 19 -45.877 6.408 -7.598 1.00 32.20 H new ATOM 0 HA ASP A 19 -47.870 5.778 -5.683 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -49.378 6.828 -7.284 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -47.901 7.765 -7.172 1.00 22.55 H new ATOM 268 N THR A 20 -49.049 3.723 -6.400 1.00 61.12 N ATOM 269 CA THR A 20 -49.646 2.436 -6.736 1.00 12.12 C ATOM 270 C THR A 20 -50.861 2.613 -7.639 1.00 54.32 C ATOM 271 O THR A 20 -51.361 3.725 -7.814 1.00 54.42 O ATOM 272 CB THR A 20 -50.067 1.665 -5.471 1.00 40.23 C ATOM 273 OG1 THR A 20 -50.575 0.376 -5.830 1.00 70.42 O ATOM 274 CG2 THR A 20 -51.126 2.435 -4.696 1.00 72.02 C ATOM 0 H THR A 20 -49.341 4.101 -5.499 1.00 61.12 H new ATOM 0 HA THR A 20 -48.885 1.862 -7.265 1.00 12.12 H new ATOM 0 HB THR A 20 -49.189 1.545 -4.836 1.00 40.23 H new ATOM 0 HG1 THR A 20 -50.839 -0.109 -5.020 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.408 1.871 -3.807 1.00 72.02 H new ATOM 0 HG22 THR A 20 -50.726 3.405 -4.399 1.00 72.02 H new ATOM 0 HG23 THR A 20 -52.003 2.581 -5.326 1.00 72.02 H new ATOM 282 N LYS A 21 -51.334 1.510 -8.210 1.00 3.44 N ATOM 283 CA LYS A 21 -52.494 1.542 -9.094 1.00 22.44 C ATOM 284 C LYS A 21 -53.785 1.358 -8.303 1.00 14.33 C ATOM 285 O LYS A 21 -54.866 1.237 -8.881 1.00 74.45 O ATOM 286 CB LYS A 21 -52.376 0.453 -10.162 1.00 24.43 C ATOM 287 CG LYS A 21 -52.234 -0.947 -9.590 1.00 51.34 C ATOM 288 CD LYS A 21 -53.487 -1.775 -9.825 1.00 33.02 C ATOM 289 CE LYS A 21 -53.770 -2.703 -8.653 1.00 63.52 C ATOM 290 NZ LYS A 21 -53.166 -4.049 -8.855 1.00 64.01 N1+ ATOM 0 H LYS A 21 -50.932 0.582 -8.076 1.00 3.44 H new ATOM 0 HA LYS A 21 -52.524 2.517 -9.581 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -53.257 0.487 -10.803 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -51.514 0.667 -10.794 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -51.378 -1.443 -10.048 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -52.033 -0.885 -8.521 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -54.339 -1.112 -9.980 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -53.371 -2.362 -10.736 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -53.377 -2.262 -7.737 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -54.847 -2.804 -8.521 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -53.381 -4.652 -8.036 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -53.560 -4.481 -9.715 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -52.135 -3.955 -8.955 1.00 64.01 H new ATOM 304 N LEU A 22 -53.666 1.339 -6.981 1.00 11.11 N ATOM 305 CA LEU A 22 -54.826 1.171 -6.111 1.00 62.04 C ATOM 306 C LEU A 22 -55.258 2.508 -5.517 1.00 2.31 C ATOM 307 O LEU A 22 -56.259 2.587 -4.805 1.00 51.15 O ATOM 308 CB LEU A 22 -54.507 0.180 -4.990 1.00 32.22 C ATOM 309 CG LEU A 22 -55.573 -0.879 -4.707 1.00 53.13 C ATOM 310 CD1 LEU A 22 -56.915 -0.222 -4.420 1.00 24.41 C ATOM 311 CD2 LEU A 22 -55.690 -1.845 -5.877 1.00 34.53 C ATOM 0 H LEU A 22 -52.779 1.438 -6.487 1.00 11.11 H new ATOM 0 HA LEU A 22 -55.647 0.779 -6.711 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -53.575 -0.328 -5.236 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -54.331 0.743 -4.074 1.00 32.22 H new ATOM 0 HG LEU A 22 -55.271 -1.443 -3.825 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -57.661 -0.991 -4.221 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -56.823 0.428 -3.550 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -57.223 0.368 -5.283 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -56.453 -2.591 -5.658 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -55.968 -1.295 -6.776 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -54.733 -2.341 -6.036 1.00 34.53 H new ATOM 323 N GLY A 23 -54.499 3.556 -5.816 1.00 52.15 N ATOM 324 CA GLY A 23 -54.821 4.876 -5.305 1.00 43.34 C ATOM 325 C GLY A 23 -54.097 5.189 -4.010 1.00 14.33 C ATOM 326 O GLY A 23 -54.666 5.112 -2.922 1.00 42.31 O ATOM 0 H GLY A 23 -53.666 3.516 -6.403 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.561 5.625 -6.053 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -55.897 4.947 -5.143 1.00 43.34 H new ATOM 330 N PRO A 24 -52.810 5.552 -4.121 1.00 42.45 N ATOM 331 CA PRO A 24 -51.980 5.885 -2.960 1.00 55.11 C ATOM 332 C PRO A 24 -52.396 7.197 -2.307 1.00 31.25 C ATOM 333 O PRO A 24 -53.158 7.973 -2.882 1.00 23.44 O ATOM 334 CB PRO A 24 -50.573 6.004 -3.552 1.00 4.11 C ATOM 335 CG PRO A 24 -50.794 6.355 -4.983 1.00 61.03 C ATOM 336 CD PRO A 24 -52.068 5.666 -5.388 1.00 45.53 C ATOM 0 HA PRO A 24 -52.064 5.137 -2.172 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -49.992 6.772 -3.041 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -50.022 5.069 -3.454 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -50.876 7.434 -5.112 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -49.958 6.023 -5.599 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -52.621 6.245 -6.127 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -51.874 4.689 -5.830 1.00 45.53 H new ATOM 344 N GLU A 25 -51.888 7.440 -1.102 1.00 30.43 N ATOM 345 CA GLU A 25 -52.208 8.660 -0.371 1.00 61.13 C ATOM 346 C GLU A 25 -50.973 9.212 0.337 1.00 2.52 C ATOM 347 O GLU A 25 -50.732 10.418 0.336 1.00 75.32 O ATOM 348 CB GLU A 25 -53.318 8.395 0.649 1.00 32.13 C ATOM 349 CG GLU A 25 -53.842 9.654 1.320 1.00 54.54 C ATOM 350 CD GLU A 25 -54.690 10.499 0.390 1.00 55.02 C ATOM 351 OE1 GLU A 25 -55.255 9.940 -0.573 1.00 54.21 O ATOM 352 OE2 GLU A 25 -54.788 11.722 0.626 1.00 12.11 O1- ATOM 0 H GLU A 25 -51.254 6.809 -0.612 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.555 9.402 -1.090 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -54.144 7.888 0.151 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.942 7.715 1.414 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -54.432 9.377 2.193 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -53.001 10.247 1.679 1.00 54.54 H new ATOM 359 N GLU A 26 -50.196 8.317 0.939 1.00 43.40 N ATOM 360 CA GLU A 26 -48.987 8.713 1.652 1.00 42.11 C ATOM 361 C GLU A 26 -48.084 7.509 1.903 1.00 25.51 C ATOM 362 O GLU A 26 -48.558 6.379 2.019 1.00 40.12 O ATOM 363 CB GLU A 26 -49.347 9.382 2.980 1.00 74.23 C ATOM 364 CG GLU A 26 -49.821 8.406 4.044 1.00 70.14 C ATOM 365 CD GLU A 26 -50.821 9.026 5.000 1.00 31.34 C ATOM 366 OE1 GLU A 26 -50.453 9.993 5.700 1.00 24.24 O ATOM 367 OE2 GLU A 26 -51.972 8.543 5.048 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.382 7.314 0.947 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.446 9.426 1.030 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -48.476 9.920 3.354 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -50.127 10.122 2.804 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -50.274 7.540 3.561 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.962 8.043 4.608 1.00 70.14 H new ATOM 374 N ILE A 27 -46.782 7.761 1.987 1.00 34.23 N ATOM 375 CA ILE A 27 -45.814 6.698 2.225 1.00 51.54 C ATOM 376 C ILE A 27 -45.838 6.249 3.683 1.00 3.43 C ATOM 377 O ILE A 27 -45.959 7.067 4.595 1.00 75.14 O ATOM 378 CB ILE A 27 -44.386 7.146 1.863 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.467 5.931 1.719 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.847 8.102 2.916 1.00 22.12 C ATOM 381 CD1 ILE A 27 -42.029 6.292 1.418 1.00 33.44 C ATOM 0 H ILE A 27 -46.374 8.691 1.894 1.00 34.23 H new ATOM 0 HA ILE A 27 -46.098 5.863 1.584 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.418 7.669 0.907 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -43.502 5.349 2.640 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.847 5.291 0.922 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.837 8.409 2.645 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -44.490 8.980 2.974 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.827 7.603 3.885 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.436 5.382 1.329 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.982 6.848 0.482 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.631 6.907 2.226 1.00 33.44 H new ATOM 393 N THR A 28 -45.722 4.941 3.895 1.00 23.51 N ATOM 394 CA THR A 28 -45.731 4.382 5.241 1.00 45.35 C ATOM 395 C THR A 28 -44.622 3.351 5.414 1.00 32.33 C ATOM 396 O THR A 28 -43.848 3.096 4.492 1.00 33.43 O ATOM 397 CB THR A 28 -47.084 3.722 5.566 1.00 53.03 C ATOM 398 OG1 THR A 28 -47.178 3.466 6.972 1.00 4.11 O ATOM 399 CG2 THR A 28 -47.251 2.421 4.797 1.00 21.31 C ATOM 0 H THR A 28 -45.621 4.250 3.152 1.00 23.51 H new ATOM 0 HA THR A 28 -45.565 5.211 5.929 1.00 45.35 H new ATOM 0 HB THR A 28 -47.878 4.406 5.267 1.00 53.03 H new ATOM 0 HG1 THR A 28 -48.042 3.048 7.171 1.00 4.11 H new ATOM 0 HG21 THR A 28 -48.214 1.974 5.043 1.00 21.31 H new ATOM 0 HG22 THR A 28 -47.208 2.623 3.727 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.451 1.732 5.069 1.00 21.31 H new ATOM 407 N ARG A 29 -44.549 2.761 6.603 1.00 14.42 N ATOM 408 CA ARG A 29 -43.533 1.758 6.898 1.00 74.04 C ATOM 409 C ARG A 29 -44.169 0.485 7.449 1.00 61.04 C ATOM 410 O ARG A 29 -44.843 0.511 8.479 1.00 23.41 O ATOM 411 CB ARG A 29 -42.518 2.309 7.901 1.00 13.44 C ATOM 412 CG ARG A 29 -43.156 2.950 9.122 1.00 21.03 C ATOM 413 CD ARG A 29 -43.389 4.438 8.913 1.00 15.43 C ATOM 414 NE ARG A 29 -42.135 5.174 8.777 1.00 11.32 N ATOM 415 CZ ARG A 29 -42.060 6.418 8.314 1.00 74.13 C ATOM 416 NH1 ARG A 29 -43.161 7.060 7.946 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -40.883 7.021 8.220 1.00 74.03 N ATOM 0 H ARG A 29 -45.182 2.961 7.378 1.00 14.42 H new ATOM 0 HA ARG A 29 -43.019 1.514 5.968 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.864 1.499 8.226 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.889 3.046 7.401 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -44.105 2.459 9.338 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -42.514 2.800 9.990 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -43.996 4.588 8.020 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -43.955 4.838 9.754 1.00 15.43 H new ATOM 0 HE ARG A 29 -41.270 4.709 9.052 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -44.068 6.599 8.018 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -43.100 8.014 7.591 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -40.035 6.530 8.503 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -40.826 7.975 7.865 1.00 74.03 H new ATOM 431 N ASP A 30 -43.952 -0.627 6.755 1.00 64.35 N ATOM 432 CA ASP A 30 -44.503 -1.910 7.175 1.00 0.23 C ATOM 433 C ASP A 30 -43.585 -3.057 6.763 1.00 34.02 C ATOM 434 O ASP A 30 -43.643 -3.536 5.630 1.00 14.01 O ATOM 435 CB ASP A 30 -45.895 -2.113 6.571 1.00 31.35 C ATOM 436 CG ASP A 30 -46.496 -3.455 6.943 1.00 31.41 C ATOM 437 OD1 ASP A 30 -46.824 -3.648 8.132 1.00 64.23 O ATOM 438 OD2 ASP A 30 -46.638 -4.311 6.044 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.398 -0.666 5.899 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.583 -1.905 8.262 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.556 -1.315 6.911 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -45.832 -2.034 5.486 1.00 31.35 H new ATOM 443 N ILE A 31 -42.738 -3.491 7.691 1.00 63.23 N ATOM 444 CA ILE A 31 -41.808 -4.581 7.424 1.00 25.31 C ATOM 445 C ILE A 31 -42.184 -5.831 8.214 1.00 64.24 C ATOM 446 O ILE A 31 -41.623 -6.119 9.271 1.00 20.01 O ATOM 447 CB ILE A 31 -40.361 -4.184 7.772 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.083 -2.746 7.327 1.00 24.14 C ATOM 449 CG2 ILE A 31 -39.377 -5.145 7.123 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.338 -2.510 5.856 1.00 71.21 C ATOM 0 H ILE A 31 -42.677 -3.105 8.633 1.00 63.23 H new ATOM 0 HA ILE A 31 -41.871 -4.795 6.357 1.00 25.31 H new ATOM 0 HB ILE A 31 -40.234 -4.241 8.853 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -40.706 -2.067 7.909 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -39.046 -2.499 7.552 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -38.359 -4.851 7.378 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -39.564 -6.156 7.484 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -39.502 -5.118 6.041 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.120 -1.470 5.611 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -39.696 -3.164 5.266 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -41.382 -2.725 5.629 1.00 71.21 H new ATOM 462 N PRO A 32 -43.156 -6.591 7.690 1.00 34.15 N ATOM 463 CA PRO A 32 -43.628 -7.824 8.328 1.00 63.53 C ATOM 464 C PRO A 32 -42.590 -8.940 8.273 1.00 74.13 C ATOM 465 O PRO A 32 -41.671 -8.905 7.456 1.00 52.54 O ATOM 466 CB PRO A 32 -44.863 -8.200 7.505 1.00 61.33 C ATOM 467 CG PRO A 32 -44.632 -7.577 6.171 1.00 72.25 C ATOM 468 CD PRO A 32 -43.870 -6.307 6.434 1.00 11.40 C ATOM 0 HA PRO A 32 -43.834 -7.680 9.389 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -44.971 -9.282 7.424 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -45.776 -7.823 7.966 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -44.066 -8.244 5.521 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -45.577 -7.369 5.669 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -43.180 -6.077 5.622 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -44.538 -5.452 6.536 1.00 11.40 H new ATOM 476 N ASN A 33 -42.743 -9.929 9.146 1.00 71.22 N ATOM 477 CA ASN A 33 -41.818 -11.055 9.197 1.00 2.45 C ATOM 478 C ASN A 33 -40.414 -10.590 9.568 1.00 2.05 C ATOM 479 O ASN A 33 -39.434 -11.299 9.342 1.00 32.14 O ATOM 480 CB ASN A 33 -41.788 -11.776 7.847 1.00 52.30 C ATOM 481 CG ASN A 33 -43.177 -12.115 7.341 1.00 14.10 C ATOM 482 OD1 ASN A 33 -43.904 -12.892 7.961 1.00 31.13 O ATOM 483 ND2 ASN A 33 -43.552 -11.531 6.208 1.00 31.33 N ATOM 0 H ASN A 33 -43.500 -9.974 9.829 1.00 71.22 H new ATOM 0 HA ASN A 33 -42.167 -11.746 9.965 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -41.281 -11.148 7.114 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -41.205 -12.692 7.940 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -44.475 -11.720 5.818 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -42.916 -10.894 5.728 1.00 31.33 H new ATOM 490 N VAL A 34 -40.325 -9.394 10.143 1.00 34.42 N ATOM 491 CA VAL A 34 -39.042 -8.834 10.548 1.00 3.55 C ATOM 492 C VAL A 34 -39.070 -8.397 12.009 1.00 63.25 C ATOM 493 O VAL A 34 -39.939 -7.629 12.420 1.00 72.34 O ATOM 494 CB VAL A 34 -38.652 -7.630 9.670 1.00 61.54 C ATOM 495 CG1 VAL A 34 -37.333 -7.034 10.136 1.00 74.44 C ATOM 496 CG2 VAL A 34 -38.574 -8.041 8.207 1.00 63.24 C ATOM 0 H VAL A 34 -41.127 -8.795 10.338 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.299 -9.621 10.421 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.423 -6.866 9.768 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -37.074 -6.185 9.504 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -37.429 -6.701 11.169 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -36.549 -7.788 10.069 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -38.297 -7.178 7.601 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -37.824 -8.823 8.088 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -39.544 -8.416 7.882 1.00 63.24 H new ATOM 506 N GLY A 35 -38.113 -8.891 12.787 1.00 71.54 N ATOM 507 CA GLY A 35 -38.045 -8.539 14.193 1.00 61.21 C ATOM 508 C GLY A 35 -37.619 -7.102 14.412 1.00 63.23 C ATOM 509 O GLY A 35 -37.126 -6.448 13.493 1.00 50.52 O ATOM 0 H GLY A 35 -37.383 -9.529 12.469 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -39.021 -8.699 14.652 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -37.343 -9.203 14.697 1.00 61.21 H new ATOM 513 N GLU A 36 -37.809 -6.609 15.632 1.00 25.34 N ATOM 514 CA GLU A 36 -37.443 -5.238 15.967 1.00 23.30 C ATOM 515 C GLU A 36 -35.930 -5.045 15.893 1.00 75.14 C ATOM 516 O GLU A 36 -35.446 -3.954 15.595 1.00 34.31 O ATOM 517 CB GLU A 36 -37.946 -4.878 17.367 1.00 11.14 C ATOM 518 CG GLU A 36 -38.897 -3.695 17.386 1.00 41.24 C ATOM 519 CD GLU A 36 -38.946 -3.007 18.736 1.00 1.32 C ATOM 520 OE1 GLU A 36 -37.868 -2.772 19.321 1.00 11.12 O ATOM 521 OE2 GLU A 36 -40.062 -2.704 19.209 1.00 24.50 O1- ATOM 0 H GLU A 36 -38.214 -7.138 16.404 1.00 25.34 H new ATOM 0 HA GLU A 36 -37.913 -4.576 15.239 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -38.449 -5.744 17.797 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -37.091 -4.656 18.005 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -38.591 -2.975 16.627 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -39.898 -4.034 17.119 1.00 41.24 H new ATOM 528 N ASP A 37 -35.191 -6.114 16.167 1.00 22.02 N ATOM 529 CA ASP A 37 -33.733 -6.065 16.132 1.00 32.15 C ATOM 530 C ASP A 37 -33.235 -5.701 14.737 1.00 14.55 C ATOM 531 O ASP A 37 -32.298 -4.919 14.586 1.00 61.42 O ATOM 532 CB ASP A 37 -33.146 -7.410 16.562 1.00 75.52 C ATOM 533 CG ASP A 37 -33.053 -7.546 18.069 1.00 61.23 C ATOM 534 OD1 ASP A 37 -34.032 -7.192 18.759 1.00 2.44 O ATOM 535 OD2 ASP A 37 -32.001 -8.008 18.559 1.00 44.23 O1- ATOM 0 H ASP A 37 -35.577 -7.025 16.416 1.00 22.02 H new ATOM 0 HA ASP A 37 -33.403 -5.294 16.828 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -33.763 -8.216 16.165 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -32.153 -7.525 16.128 1.00 75.52 H new ATOM 540 N ALA A 38 -33.869 -6.275 13.719 1.00 41.12 N ATOM 541 CA ALA A 38 -33.491 -6.010 12.337 1.00 33.22 C ATOM 542 C ALA A 38 -33.686 -4.539 11.987 1.00 61.11 C ATOM 543 O ALA A 38 -33.039 -4.015 11.079 1.00 73.30 O ATOM 544 CB ALA A 38 -34.297 -6.890 11.392 1.00 54.45 C ATOM 0 H ALA A 38 -34.647 -6.926 13.826 1.00 41.12 H new ATOM 0 HA ALA A 38 -32.433 -6.246 12.224 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -34.005 -6.682 10.363 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -34.105 -7.939 11.619 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -35.359 -6.680 11.517 1.00 54.45 H new ATOM 550 N LEU A 39 -34.581 -3.876 12.712 1.00 44.35 N ATOM 551 CA LEU A 39 -34.860 -2.464 12.477 1.00 51.12 C ATOM 552 C LEU A 39 -34.418 -1.616 13.665 1.00 25.44 C ATOM 553 O LEU A 39 -34.808 -0.456 13.791 1.00 75.32 O ATOM 554 CB LEU A 39 -36.354 -2.256 12.216 1.00 75.42 C ATOM 555 CG LEU A 39 -37.303 -2.801 13.283 1.00 63.45 C ATOM 556 CD1 LEU A 39 -37.492 -1.785 14.398 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.644 -3.171 12.664 1.00 33.13 C ATOM 0 H LEU A 39 -35.125 -4.294 13.467 1.00 44.35 H new ATOM 0 HA LEU A 39 -34.296 -2.149 11.599 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -36.538 -1.187 12.106 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -36.604 -2.722 11.263 1.00 75.42 H new ATOM 0 HG LEU A 39 -36.861 -3.701 13.710 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -38.171 -2.190 15.148 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -36.529 -1.568 14.859 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -37.912 -0.867 13.987 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -39.308 -3.557 13.438 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -39.092 -2.287 12.210 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.494 -3.934 11.900 1.00 33.13 H new ATOM 569 N ARG A 40 -33.601 -2.204 14.534 1.00 20.52 N ATOM 570 CA ARG A 40 -33.104 -1.503 15.710 1.00 43.52 C ATOM 571 C ARG A 40 -32.449 -0.181 15.321 1.00 33.33 C ATOM 572 O ARG A 40 -32.495 0.792 16.072 1.00 61.33 O ATOM 573 CB ARG A 40 -32.103 -2.377 16.467 1.00 31.43 C ATOM 574 CG ARG A 40 -30.779 -2.554 15.742 1.00 41.24 C ATOM 575 CD ARG A 40 -29.844 -3.478 16.506 1.00 43.45 C ATOM 576 NE ARG A 40 -28.494 -3.471 15.951 1.00 63.04 N ATOM 577 CZ ARG A 40 -28.151 -4.120 14.843 1.00 32.22 C ATOM 578 NH1 ARG A 40 -29.056 -4.824 14.178 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -26.901 -4.066 14.401 1.00 20.05 N ATOM 0 H ARG A 40 -33.270 -3.165 14.445 1.00 20.52 H new ATOM 0 HA ARG A 40 -33.953 -1.290 16.359 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -31.915 -1.935 17.446 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -32.547 -3.357 16.639 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -30.960 -2.960 14.747 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -30.303 -1.582 15.609 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -29.808 -3.173 17.552 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -30.240 -4.493 16.484 1.00 43.45 H new ATOM 0 HE ARG A 40 -27.774 -2.939 16.440 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -30.017 -4.868 14.516 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -28.791 -5.321 13.328 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -26.202 -3.526 14.912 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -26.639 -4.564 13.551 1.00 20.05 H new ATOM 593 N ASN A 41 -31.839 -0.155 14.140 1.00 55.32 N ATOM 594 CA ASN A 41 -31.173 1.046 13.650 1.00 71.13 C ATOM 595 C ASN A 41 -32.174 1.999 13.006 1.00 35.30 C ATOM 596 O ASN A 41 -32.003 3.218 13.047 1.00 31.23 O ATOM 597 CB ASN A 41 -30.083 0.675 12.642 1.00 34.41 C ATOM 598 CG ASN A 41 -29.326 -0.577 13.042 1.00 10.32 C ATOM 599 OD1 ASN A 41 -29.674 -1.684 12.633 1.00 32.53 O ATOM 600 ND2 ASN A 41 -28.285 -0.406 13.849 1.00 61.32 N ATOM 0 H ASN A 41 -31.792 -0.952 13.505 1.00 55.32 H new ATOM 0 HA ASN A 41 -30.715 1.550 14.501 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.535 0.525 11.661 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -29.383 1.505 12.547 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -27.738 -1.211 14.154 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -28.032 0.531 14.164 1.00 61.32 H new ATOM 607 N LEU A 42 -33.220 1.436 12.411 1.00 5.31 N ATOM 608 CA LEU A 42 -34.251 2.235 11.758 1.00 1.45 C ATOM 609 C LEU A 42 -34.819 3.279 12.714 1.00 41.30 C ATOM 610 O LEU A 42 -35.026 3.005 13.897 1.00 64.12 O ATOM 611 CB LEU A 42 -35.375 1.332 11.245 1.00 35.41 C ATOM 612 CG LEU A 42 -36.011 1.743 9.917 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.322 1.045 8.756 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.501 1.431 9.920 1.00 43.22 C ATOM 0 H LEU A 42 -33.376 0.429 12.367 1.00 5.31 H new ATOM 0 HA LEU A 42 -33.794 2.752 10.914 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -34.982 0.321 11.139 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -36.157 1.293 12.003 1.00 35.41 H new ATOM 0 HG LEU A 42 -35.885 2.819 9.794 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -35.789 1.350 7.819 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.267 1.318 8.742 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.416 -0.035 8.873 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -37.937 1.730 8.967 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.648 0.361 10.067 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -37.986 1.978 10.729 1.00 43.22 H new ATOM 626 N ASP A 43 -35.070 4.475 12.195 1.00 10.14 N ATOM 627 CA ASP A 43 -35.617 5.560 13.002 1.00 31.33 C ATOM 628 C ASP A 43 -36.993 5.976 12.491 1.00 31.33 C ATOM 629 O ASP A 43 -37.588 5.295 11.656 1.00 2.34 O ATOM 630 CB ASP A 43 -34.670 6.761 12.990 1.00 44.20 C ATOM 631 CG ASP A 43 -33.245 6.377 13.337 1.00 54.04 C ATOM 632 OD1 ASP A 43 -33.060 5.383 14.071 1.00 1.31 O ATOM 633 OD2 ASP A 43 -32.314 7.070 12.875 1.00 30.34 O1- ATOM 0 H ASP A 43 -34.904 4.719 11.219 1.00 10.14 H new ATOM 0 HA ASP A 43 -35.722 5.201 14.026 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -34.688 7.225 12.004 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -35.025 7.508 13.700 1.00 44.20 H new ATOM 638 N ASP A 44 -37.492 7.098 12.998 1.00 73.33 N ATOM 639 CA ASP A 44 -38.798 7.606 12.594 1.00 11.43 C ATOM 640 C ASP A 44 -38.791 8.014 11.124 1.00 44.41 C ATOM 641 O ASP A 44 -39.844 8.216 10.520 1.00 0.12 O ATOM 642 CB ASP A 44 -39.198 8.797 13.465 1.00 63.23 C ATOM 643 CG ASP A 44 -40.618 9.257 13.201 1.00 31.34 C ATOM 644 OD1 ASP A 44 -41.552 8.460 13.427 1.00 40.13 O ATOM 645 OD2 ASP A 44 -40.795 10.414 12.768 1.00 13.32 O1- ATOM 0 H ASP A 44 -37.012 7.673 13.690 1.00 73.33 H new ATOM 0 HA ASP A 44 -39.528 6.808 12.728 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -39.097 8.525 14.516 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -38.512 9.624 13.282 1.00 63.23 H new ATOM 650 N ARG A 45 -37.596 8.135 10.554 1.00 71.11 N ATOM 651 CA ARG A 45 -37.451 8.521 9.157 1.00 52.13 C ATOM 652 C ARG A 45 -37.764 7.348 8.233 1.00 35.45 C ATOM 653 O ARG A 45 -37.946 7.524 7.028 1.00 3.22 O ATOM 654 CB ARG A 45 -36.034 9.031 8.890 1.00 65.04 C ATOM 655 CG ARG A 45 -34.945 8.100 9.401 1.00 43.34 C ATOM 656 CD ARG A 45 -33.714 8.141 8.511 1.00 43.42 C ATOM 657 NE ARG A 45 -32.853 9.280 8.820 1.00 64.23 N ATOM 658 CZ ARG A 45 -31.662 9.472 8.265 1.00 23.12 C ATOM 659 NH1 ARG A 45 -31.192 8.607 7.377 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -30.937 10.533 8.598 1.00 3.01 N ATOM 0 H ARG A 45 -36.714 7.971 11.040 1.00 71.11 H new ATOM 0 HA ARG A 45 -38.162 9.322 8.952 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -35.904 9.174 7.817 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -35.914 10.008 9.358 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -34.670 8.383 10.417 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -35.328 7.081 9.447 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -33.149 7.217 8.631 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -34.023 8.193 7.467 1.00 43.42 H new ATOM 0 HE ARG A 45 -33.185 9.965 9.499 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -31.746 7.791 7.118 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -30.277 8.758 6.953 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -31.295 11.201 9.281 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -30.022 10.680 8.171 1.00 3.01 H new ATOM 674 N GLY A 46 -37.823 6.150 8.806 1.00 63.25 N ATOM 675 CA GLY A 46 -38.113 4.965 8.019 1.00 13.20 C ATOM 676 C GLY A 46 -36.865 4.345 7.423 1.00 41.41 C ATOM 677 O GLY A 46 -36.904 3.228 6.906 1.00 11.40 O ATOM 0 H GLY A 46 -37.675 5.979 9.801 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.616 4.230 8.647 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -38.804 5.225 7.217 1.00 13.20 H new ATOM 681 N VAL A 47 -35.753 5.070 7.496 1.00 30.53 N ATOM 682 CA VAL A 47 -34.487 4.585 6.959 1.00 42.32 C ATOM 683 C VAL A 47 -33.489 4.302 8.075 1.00 35.22 C ATOM 684 O VAL A 47 -33.536 4.926 9.136 1.00 74.45 O ATOM 685 CB VAL A 47 -33.869 5.598 5.977 1.00 33.24 C ATOM 686 CG1 VAL A 47 -32.659 4.997 5.281 1.00 62.32 C ATOM 687 CG2 VAL A 47 -34.905 6.056 4.962 1.00 11.24 C ATOM 0 H VAL A 47 -35.703 5.995 7.922 1.00 30.53 H new ATOM 0 HA VAL A 47 -34.703 3.659 6.426 1.00 42.32 H new ATOM 0 HB VAL A 47 -33.537 6.469 6.542 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -32.236 5.727 4.591 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -31.910 4.724 6.024 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -32.962 4.108 4.727 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -34.451 6.771 4.276 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -35.269 5.196 4.400 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -35.738 6.530 5.481 1.00 11.24 H new ATOM 697 N ILE A 48 -32.586 3.359 7.829 1.00 4.11 N ATOM 698 CA ILE A 48 -31.575 2.994 8.813 1.00 23.31 C ATOM 699 C ILE A 48 -30.589 4.136 9.038 1.00 42.35 C ATOM 700 O ILE A 48 -30.007 4.662 8.089 1.00 21.41 O ATOM 701 CB ILE A 48 -30.798 1.737 8.383 1.00 74.51 C ATOM 702 CG1 ILE A 48 -31.750 0.549 8.229 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.706 1.417 9.393 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.358 0.088 9.535 1.00 11.41 C ATOM 0 H ILE A 48 -32.534 2.834 6.956 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.102 2.784 9.743 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.329 1.932 7.418 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.550 0.822 7.541 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.210 -0.282 7.776 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.166 0.525 9.075 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.014 2.257 9.459 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -30.155 1.239 10.370 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -33.022 -0.757 9.349 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.565 -0.217 10.218 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -32.926 0.905 9.980 1.00 11.41 H new ATOM 716 N ARG A 49 -30.405 4.513 10.299 1.00 61.21 N ATOM 717 CA ARG A 49 -29.488 5.591 10.647 1.00 55.21 C ATOM 718 C ARG A 49 -28.086 5.308 10.116 1.00 4.43 C ATOM 719 O ARG A 49 -27.766 4.173 9.758 1.00 74.42 O ATOM 720 CB ARG A 49 -29.440 5.778 12.165 1.00 75.12 C ATOM 721 CG ARG A 49 -28.783 7.078 12.598 1.00 63.14 C ATOM 722 CD ARG A 49 -29.008 7.351 14.078 1.00 21.00 C ATOM 723 NE ARG A 49 -28.563 8.687 14.462 1.00 40.53 N ATOM 724 CZ ARG A 49 -27.296 8.995 14.717 1.00 35.01 C ATOM 725 NH1 ARG A 49 -26.354 8.066 14.629 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -26.969 10.234 15.061 1.00 44.41 N ATOM 0 H ARG A 49 -30.879 4.088 11.096 1.00 61.21 H new ATOM 0 HA ARG A 49 -29.855 6.507 10.185 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.456 5.745 12.559 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -28.899 4.942 12.609 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -27.713 7.032 12.394 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -29.184 7.903 12.010 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -30.067 7.241 14.310 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -28.474 6.607 14.669 1.00 21.00 H new ATOM 0 HE ARG A 49 -29.263 9.425 14.539 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -26.601 7.112 14.365 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -25.382 8.305 14.825 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -27.691 10.951 15.130 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -25.996 10.469 15.257 1.00 44.41 H new ATOM 740 N ILE A 50 -27.257 6.344 10.065 1.00 42.34 N ATOM 741 CA ILE A 50 -25.890 6.205 9.578 1.00 64.41 C ATOM 742 C ILE A 50 -25.030 5.429 10.567 1.00 25.51 C ATOM 743 O ILE A 50 -25.294 5.426 11.768 1.00 50.31 O ATOM 744 CB ILE A 50 -25.243 7.579 9.319 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.207 8.486 8.553 1.00 31.11 C ATOM 746 CG2 ILE A 50 -23.939 7.414 8.553 1.00 54.25 C ATOM 747 CD1 ILE A 50 -26.670 7.901 7.237 1.00 54.33 C ATOM 0 H ILE A 50 -27.508 7.289 10.355 1.00 42.34 H new ATOM 0 HA ILE A 50 -25.944 5.655 8.639 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.021 8.046 10.279 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -27.077 8.688 9.178 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -25.721 9.443 8.365 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.494 8.393 8.378 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.250 6.801 9.135 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -24.137 6.929 7.597 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -27.351 8.598 6.748 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -25.808 7.725 6.594 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -27.185 6.958 7.419 1.00 54.33 H new ATOM 759 N GLY A 51 -23.994 4.769 10.054 1.00 2.14 N ATOM 760 CA GLY A 51 -23.109 3.999 10.906 1.00 43.44 C ATOM 761 C GLY A 51 -23.613 2.588 11.142 1.00 53.24 C ATOM 762 O GLY A 51 -23.116 1.883 12.018 1.00 63.33 O ATOM 0 H GLY A 51 -23.753 4.755 9.063 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.119 3.957 10.452 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -22.999 4.507 11.864 1.00 43.44 H new ATOM 766 N ALA A 52 -24.603 2.177 10.357 1.00 53.13 N ATOM 767 CA ALA A 52 -25.175 0.842 10.484 1.00 25.41 C ATOM 768 C ALA A 52 -24.683 -0.074 9.368 1.00 3.24 C ATOM 769 O ALA A 52 -24.683 0.305 8.197 1.00 33.21 O ATOM 770 CB ALA A 52 -26.694 0.915 10.477 1.00 4.44 C ATOM 0 H ALA A 52 -25.026 2.749 9.626 1.00 53.13 H new ATOM 0 HA ALA A 52 -24.847 0.423 11.435 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -27.107 -0.089 10.573 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -27.033 1.528 11.313 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.033 1.359 9.541 1.00 4.44 H new ATOM 776 N GLU A 53 -24.264 -1.279 9.739 1.00 24.44 N ATOM 777 CA GLU A 53 -23.769 -2.248 8.769 1.00 12.23 C ATOM 778 C GLU A 53 -24.911 -2.804 7.923 1.00 61.23 C ATOM 779 O GLU A 53 -25.995 -3.085 8.433 1.00 62.55 O ATOM 780 CB GLU A 53 -23.043 -3.391 9.480 1.00 5.05 C ATOM 781 CG GLU A 53 -21.718 -2.979 10.100 1.00 63.31 C ATOM 782 CD GLU A 53 -20.707 -4.109 10.121 1.00 65.35 C ATOM 783 OE1 GLU A 53 -20.807 -4.976 11.015 1.00 22.21 O ATOM 784 OE2 GLU A 53 -19.817 -4.125 9.247 1.00 42.20 O1- ATOM 0 H GLU A 53 -24.257 -1.608 10.705 1.00 24.44 H new ATOM 0 HA GLU A 53 -23.067 -1.737 8.110 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -23.690 -3.792 10.260 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -22.866 -4.197 8.767 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -21.306 -2.138 9.542 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -21.890 -2.632 11.119 1.00 63.31 H new ATOM 791 N VAL A 54 -24.659 -2.959 6.627 1.00 22.21 N ATOM 792 CA VAL A 54 -25.665 -3.482 5.709 1.00 62.55 C ATOM 793 C VAL A 54 -25.556 -4.997 5.580 1.00 25.30 C ATOM 794 O VAL A 54 -24.458 -5.554 5.578 1.00 72.42 O ATOM 795 CB VAL A 54 -25.533 -2.847 4.312 1.00 34.21 C ATOM 796 CG1 VAL A 54 -24.107 -2.976 3.799 1.00 11.11 C ATOM 797 CG2 VAL A 54 -26.517 -3.485 3.344 1.00 22.21 C ATOM 0 H VAL A 54 -23.767 -2.730 6.189 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.639 -3.225 6.126 1.00 62.55 H new ATOM 0 HB VAL A 54 -25.770 -1.786 4.389 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -24.033 -2.522 2.811 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -23.427 -2.469 4.483 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -23.837 -4.030 3.735 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -26.411 -3.025 2.361 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -26.313 -4.553 3.269 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -27.534 -3.335 3.707 1.00 22.21 H new ATOM 807 N LYS A 55 -26.702 -5.660 5.472 1.00 32.13 N ATOM 808 CA LYS A 55 -26.738 -7.111 5.340 1.00 11.44 C ATOM 809 C LYS A 55 -28.080 -7.574 4.782 1.00 24.20 C ATOM 810 O LYS A 55 -28.986 -6.767 4.569 1.00 53.12 O ATOM 811 CB LYS A 55 -26.482 -7.774 6.695 1.00 13.34 C ATOM 812 CG LYS A 55 -27.434 -7.315 7.786 1.00 34.42 C ATOM 813 CD LYS A 55 -26.818 -6.219 8.640 1.00 72.33 C ATOM 814 CE LYS A 55 -27.525 -6.092 9.980 1.00 54.12 C ATOM 815 NZ LYS A 55 -26.969 -4.979 10.798 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.620 -5.214 5.473 1.00 32.13 H new ATOM 0 HA LYS A 55 -25.953 -7.406 4.644 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -26.565 -8.855 6.583 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -25.458 -7.564 7.005 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -28.357 -6.950 7.335 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -27.701 -8.163 8.417 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -25.762 -6.434 8.804 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -26.871 -5.269 8.108 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -28.589 -5.924 9.814 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -27.432 -7.028 10.530 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -27.720 -4.578 11.395 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -26.203 -5.341 11.401 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -26.595 -4.240 10.170 1.00 75.44 H new ATOM 829 N ASP A 56 -28.201 -8.876 4.548 1.00 1.11 N ATOM 830 CA ASP A 56 -29.433 -9.447 4.016 1.00 50.12 C ATOM 831 C ASP A 56 -30.612 -9.143 4.935 1.00 51.21 C ATOM 832 O ASP A 56 -30.470 -9.115 6.156 1.00 22.43 O ATOM 833 CB ASP A 56 -29.285 -10.958 3.838 1.00 24.03 C ATOM 834 CG ASP A 56 -29.011 -11.347 2.399 1.00 74.11 C ATOM 835 OD1 ASP A 56 -29.507 -10.649 1.492 1.00 70.55 O ATOM 836 OD2 ASP A 56 -28.303 -12.353 2.180 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.460 -9.556 4.718 1.00 1.11 H new ATOM 0 HA ASP A 56 -29.626 -8.993 3.044 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -28.473 -11.317 4.470 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -30.195 -11.452 4.178 1.00 24.03 H new ATOM 841 N GLY A 57 -31.778 -8.913 4.338 1.00 23.23 N ATOM 842 CA GLY A 57 -32.965 -8.613 5.118 1.00 2.42 C ATOM 843 C GLY A 57 -33.011 -7.167 5.569 1.00 30.44 C ATOM 844 O GLY A 57 -33.921 -6.765 6.293 1.00 50.43 O ATOM 0 H GLY A 57 -31.922 -8.929 3.328 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.852 -8.834 4.524 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -32.996 -9.264 5.992 1.00 2.42 H new ATOM 848 N ASP A 58 -32.028 -6.383 5.141 1.00 1.23 N ATOM 849 CA ASP A 58 -31.960 -4.973 5.506 1.00 24.33 C ATOM 850 C ASP A 58 -32.417 -4.089 4.350 1.00 44.22 C ATOM 851 O ASP A 58 -31.628 -3.740 3.472 1.00 4.32 O ATOM 852 CB ASP A 58 -30.535 -4.599 5.917 1.00 74.23 C ATOM 853 CG ASP A 58 -30.503 -3.643 7.093 1.00 42.34 C ATOM 854 OD1 ASP A 58 -31.544 -3.012 7.371 1.00 52.45 O ATOM 855 OD2 ASP A 58 -29.439 -3.525 7.735 1.00 60.24 O1- ATOM 0 H ASP A 58 -31.267 -6.700 4.541 1.00 1.23 H new ATOM 0 HA ASP A 58 -32.629 -4.810 6.351 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -29.985 -5.504 6.174 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -30.023 -4.144 5.069 1.00 74.23 H new ATOM 860 N LEU A 59 -33.697 -3.734 4.356 1.00 1.10 N ATOM 861 CA LEU A 59 -34.261 -2.890 3.307 1.00 32.31 C ATOM 862 C LEU A 59 -33.546 -1.546 3.244 1.00 22.24 C ATOM 863 O LEU A 59 -33.390 -0.961 2.172 1.00 63.34 O ATOM 864 CB LEU A 59 -35.757 -2.675 3.547 1.00 63.13 C ATOM 865 CG LEU A 59 -36.687 -3.764 3.011 1.00 21.11 C ATOM 866 CD1 LEU A 59 -36.114 -5.143 3.296 1.00 3.32 C ATOM 867 CD2 LEU A 59 -38.076 -3.625 3.616 1.00 13.30 C ATOM 0 H LEU A 59 -34.364 -4.017 5.074 1.00 1.10 H new ATOM 0 HA LEU A 59 -34.122 -3.398 2.353 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.922 -2.580 4.620 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -36.044 -1.726 3.095 1.00 63.13 H new ATOM 0 HG LEU A 59 -36.770 -3.644 1.931 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -36.789 -5.905 2.907 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -35.142 -5.240 2.813 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -36.000 -5.274 4.372 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -38.724 -4.408 3.223 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -38.012 -3.717 4.700 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -38.489 -2.650 3.359 1.00 13.30 H new ATOM 879 N LEU A 60 -33.110 -1.060 4.401 1.00 4.23 N ATOM 880 CA LEU A 60 -32.408 0.217 4.479 1.00 33.23 C ATOM 881 C LEU A 60 -33.279 1.351 3.950 1.00 4.21 C ATOM 882 O LEU A 60 -32.780 2.419 3.597 1.00 64.02 O ATOM 883 CB LEU A 60 -31.100 0.151 3.689 1.00 0.12 C ATOM 884 CG LEU A 60 -30.063 -0.855 4.189 1.00 74.51 C ATOM 885 CD1 LEU A 60 -28.783 -0.753 3.373 1.00 63.21 C ATOM 886 CD2 LEU A 60 -29.775 -0.634 5.667 1.00 1.41 C ATOM 0 H LEU A 60 -33.230 -1.531 5.298 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.183 0.416 5.527 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.337 -0.087 2.652 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -30.646 1.142 3.693 1.00 0.12 H new ATOM 0 HG LEU A 60 -30.469 -1.859 4.065 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.057 -1.476 3.743 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.002 -0.962 2.326 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.372 0.253 3.464 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -29.035 -1.359 6.006 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -29.390 0.375 5.816 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -30.694 -0.759 6.239 1.00 1.41 H new ATOM 898 N VAL A 61 -34.585 1.112 3.899 1.00 0.20 N ATOM 899 CA VAL A 61 -35.528 2.115 3.415 1.00 71.21 C ATOM 900 C VAL A 61 -36.965 1.709 3.720 1.00 70.32 C ATOM 901 O VAL A 61 -37.354 0.560 3.519 1.00 31.11 O ATOM 902 CB VAL A 61 -35.379 2.339 1.899 1.00 31.34 C ATOM 903 CG1 VAL A 61 -35.840 1.110 1.130 1.00 4.22 C ATOM 904 CG2 VAL A 61 -36.157 3.572 1.465 1.00 2.31 C ATOM 0 H VAL A 61 -35.015 0.233 4.187 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.298 3.045 3.936 1.00 71.21 H new ATOM 0 HB VAL A 61 -34.325 2.504 1.675 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -35.727 1.287 0.060 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -35.236 0.251 1.421 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -36.887 0.911 1.357 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -36.041 3.716 0.391 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -37.213 3.438 1.701 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -35.776 4.447 1.992 1.00 2.31 H new ATOM 914 N GLY A 62 -37.753 2.664 4.207 1.00 71.04 N ATOM 915 CA GLY A 62 -39.140 2.388 4.531 1.00 31.12 C ATOM 916 C GLY A 62 -40.093 2.844 3.444 1.00 34.53 C ATOM 917 O GLY A 62 -40.393 4.032 3.331 1.00 41.31 O ATOM 0 H GLY A 62 -37.455 3.623 4.383 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.265 1.318 4.694 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.397 2.885 5.467 1.00 31.12 H new ATOM 921 N LYS A 63 -40.568 1.899 2.641 1.00 64.14 N ATOM 922 CA LYS A 63 -41.492 2.209 1.556 1.00 33.22 C ATOM 923 C LYS A 63 -42.481 1.068 1.341 1.00 20.52 C ATOM 924 O LYS A 63 -42.090 -0.057 1.032 1.00 13.53 O ATOM 925 CB LYS A 63 -40.719 2.478 0.263 1.00 74.02 C ATOM 926 CG LYS A 63 -41.436 3.422 -0.688 1.00 20.40 C ATOM 927 CD LYS A 63 -42.053 2.673 -1.857 1.00 71.32 C ATOM 928 CE LYS A 63 -43.572 2.738 -1.821 1.00 42.40 C ATOM 929 NZ LYS A 63 -44.166 2.582 -3.176 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.328 0.911 2.721 1.00 64.14 H new ATOM 0 HA LYS A 63 -42.051 3.103 1.832 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -39.744 2.898 0.513 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -40.538 1.531 -0.246 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -42.215 3.961 -0.149 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -40.733 4.166 -1.062 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -41.692 3.097 -2.794 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -41.732 1.632 -1.834 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -43.953 1.955 -1.165 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -43.885 3.691 -1.395 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -44.575 3.488 -3.482 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -43.427 2.292 -3.848 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -44.911 1.857 -3.147 1.00 61.51 H new ATOM 943 N VAL A 64 -43.766 1.367 1.506 1.00 71.05 N ATOM 944 CA VAL A 64 -44.812 0.367 1.327 1.00 72.21 C ATOM 945 C VAL A 64 -46.141 1.020 0.965 1.00 72.14 C ATOM 946 O VAL A 64 -46.558 1.995 1.592 1.00 61.31 O ATOM 947 CB VAL A 64 -45.000 -0.483 2.598 1.00 41.14 C ATOM 948 CG1 VAL A 64 -43.928 -1.558 2.685 1.00 41.34 C ATOM 949 CG2 VAL A 64 -44.982 0.401 3.836 1.00 71.41 C ATOM 0 H VAL A 64 -44.107 2.293 1.763 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.494 -0.280 0.510 1.00 72.21 H new ATOM 0 HB VAL A 64 -45.971 -0.976 2.545 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.077 -2.148 3.589 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -43.993 -2.208 1.812 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -42.944 -1.089 2.716 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.116 -0.215 4.725 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -44.027 0.923 3.897 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -45.790 1.130 3.774 1.00 71.41 H new ATOM 959 N THR A 65 -46.804 0.477 -0.051 1.00 75.31 N ATOM 960 CA THR A 65 -48.086 1.007 -0.498 1.00 21.11 C ATOM 961 C THR A 65 -49.240 0.139 -0.008 1.00 50.33 C ATOM 962 O THR A 65 -49.068 -1.031 0.333 1.00 22.30 O ATOM 963 CB THR A 65 -48.149 1.105 -2.034 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.204 0.204 -2.622 1.00 52.43 O ATOM 965 CG2 THR A 65 -47.858 2.525 -2.496 1.00 65.41 C ATOM 0 H THR A 65 -46.474 -0.330 -0.580 1.00 75.31 H new ATOM 0 HA THR A 65 -48.180 2.007 -0.074 1.00 21.11 H new ATOM 0 HB THR A 65 -49.155 0.834 -2.353 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.252 0.271 -3.599 1.00 52.43 H new ATOM 0 HG21 THR A 65 -47.908 2.571 -3.584 1.00 65.41 H new ATOM 0 HG22 THR A 65 -48.596 3.205 -2.070 1.00 65.41 H new ATOM 0 HG23 THR A 65 -46.861 2.818 -2.166 1.00 65.41 H new ATOM 973 N PRO A 66 -50.447 0.724 0.028 1.00 71.34 N ATOM 974 CA PRO A 66 -51.654 0.021 0.474 1.00 72.00 C ATOM 975 C PRO A 66 -52.096 -1.054 -0.513 1.00 31.14 C ATOM 976 O PRO A 66 -51.766 -0.999 -1.698 1.00 4.01 O ATOM 977 CB PRO A 66 -52.702 1.135 0.556 1.00 54.11 C ATOM 978 CG PRO A 66 -52.228 2.172 -0.401 1.00 72.32 C ATOM 979 CD PRO A 66 -50.726 2.116 -0.364 1.00 51.54 C ATOM 0 HA PRO A 66 -51.496 -0.505 1.415 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.692 0.768 0.284 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.777 1.534 1.567 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.601 1.975 -1.406 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.589 3.160 -0.115 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.291 2.355 -1.334 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.315 2.826 0.354 1.00 51.54 H new ATOM 987 N LYS A 67 -52.846 -2.033 -0.018 1.00 13.34 N ATOM 988 CA LYS A 67 -53.334 -3.121 -0.856 1.00 22.03 C ATOM 989 C LYS A 67 -54.794 -2.898 -1.241 1.00 61.40 C ATOM 990 O LYS A 67 -55.429 -1.950 -0.781 1.00 45.12 O ATOM 991 CB LYS A 67 -53.190 -4.459 -0.126 1.00 13.12 C ATOM 992 CG LYS A 67 -51.754 -4.807 0.227 1.00 24.12 C ATOM 993 CD LYS A 67 -51.471 -6.285 0.025 1.00 43.33 C ATOM 994 CE LYS A 67 -52.246 -7.141 1.016 1.00 51.24 C ATOM 995 NZ LYS A 67 -52.389 -8.546 0.542 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.129 -2.095 0.960 1.00 13.34 H new ATOM 0 HA LYS A 67 -52.734 -3.142 -1.766 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -53.783 -4.431 0.788 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.604 -5.251 -0.750 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -51.074 -4.218 -0.389 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -51.558 -4.537 1.265 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -51.738 -6.572 -0.992 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -50.403 -6.471 0.139 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -51.736 -7.133 1.979 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -53.234 -6.709 1.174 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -52.923 -9.097 1.245 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -52.898 -8.556 -0.365 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -51.447 -8.967 0.415 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.318 -3.777 -2.089 1.00 41.33 N ATOM 1010 CA GLY A 68 -56.699 -3.657 -2.521 1.00 62.55 C ATOM 1011 C GLY A 68 -57.665 -4.342 -1.575 1.00 22.32 C ATOM 1012 O GLY A 68 -57.262 -4.855 -0.530 1.00 24.52 O ATOM 0 H GLY A 68 -54.812 -4.569 -2.485 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -56.961 -2.602 -2.601 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -56.804 -4.088 -3.517 1.00 62.55 H new ATOM 1355 N VAL A 90 -50.469 -3.963 3.598 1.00 14.00 N ATOM 1356 CA VAL A 90 -49.712 -3.289 2.550 1.00 43.15 C ATOM 1357 C VAL A 90 -48.729 -4.244 1.882 1.00 34.22 C ATOM 1358 O VAL A 90 -48.530 -5.369 2.343 1.00 14.45 O ATOM 1359 CB VAL A 90 -48.939 -2.078 3.104 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -49.888 -0.927 3.399 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -48.160 -2.470 4.352 1.00 63.51 C ATOM 0 HA VAL A 90 -50.435 -2.941 1.812 1.00 43.15 H new ATOM 0 HB VAL A 90 -48.228 -1.746 2.347 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -49.323 -0.081 3.790 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -50.397 -0.631 2.482 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -50.625 -1.243 4.137 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -47.619 -1.603 4.731 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -48.851 -2.828 5.115 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -47.451 -3.260 4.105 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.117 -3.788 0.794 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.154 -4.604 0.062 1.00 3.45 C ATOM 1373 C ARG A 91 -45.740 -4.056 0.230 1.00 15.52 C ATOM 1374 O ARG A 91 -45.512 -2.852 0.117 1.00 10.53 O ATOM 1375 CB ARG A 91 -47.521 -4.653 -1.423 1.00 35.24 C ATOM 1376 CG ARG A 91 -46.834 -5.776 -2.182 1.00 1.41 C ATOM 1377 CD ARG A 91 -47.487 -7.120 -1.900 1.00 62.05 C ATOM 1378 NE ARG A 91 -48.703 -7.314 -2.687 1.00 32.31 N ATOM 1379 CZ ARG A 91 -49.309 -8.488 -2.825 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -48.816 -9.566 -2.232 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -50.410 -8.585 -3.558 1.00 63.42 N ATOM 0 H ARG A 91 -48.270 -2.860 0.400 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.185 -5.614 0.471 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -48.601 -4.768 -1.518 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -47.260 -3.701 -1.885 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -46.871 -5.570 -3.252 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -45.781 -5.816 -1.901 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -46.780 -7.920 -2.121 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -47.727 -7.191 -0.839 1.00 62.05 H new ATOM 0 HE ARG A 91 -49.108 -6.504 -3.156 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -47.969 -9.495 -1.668 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -49.284 -10.466 -2.340 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -50.792 -7.758 -4.016 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -50.875 -9.487 -3.663 1.00 63.42 H new ATOM 1395 N ASP A 92 -44.794 -4.949 0.499 1.00 43.34 N ATOM 1396 CA ASP A 92 -43.402 -4.556 0.682 1.00 22.20 C ATOM 1397 C ASP A 92 -42.771 -4.153 -0.647 1.00 4.24 C ATOM 1398 O ASP A 92 -42.319 -5.002 -1.415 1.00 43.15 O ATOM 1399 CB ASP A 92 -42.605 -5.699 1.312 1.00 42.30 C ATOM 1400 CG ASP A 92 -42.714 -6.987 0.518 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -43.812 -7.582 0.499 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -41.700 -7.398 -0.084 1.00 53.42 O1- ATOM 0 H ASP A 92 -44.966 -5.950 0.595 1.00 43.34 H new ATOM 0 HA ASP A 92 -43.379 -3.695 1.351 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -41.557 -5.409 1.387 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -42.962 -5.870 2.328 1.00 42.30 H new ATOM 1407 N THR A 93 -42.746 -2.851 -0.914 1.00 3.24 N ATOM 1408 CA THR A 93 -42.174 -2.335 -2.151 1.00 15.11 C ATOM 1409 C THR A 93 -40.782 -1.762 -1.915 1.00 15.23 C ATOM 1410 O THR A 93 -40.168 -1.203 -2.825 1.00 31.43 O ATOM 1411 CB THR A 93 -43.067 -1.244 -2.771 1.00 51.14 C ATOM 1412 OG1 THR A 93 -43.185 -0.136 -1.871 1.00 20.55 O ATOM 1413 CG2 THR A 93 -44.450 -1.794 -3.090 1.00 32.22 C ATOM 0 H THR A 93 -43.116 -2.134 -0.289 1.00 3.24 H new ATOM 0 HA THR A 93 -42.106 -3.175 -2.842 1.00 15.11 H new ATOM 0 HB THR A 93 -42.603 -0.910 -3.699 1.00 51.14 H new ATOM 0 HG1 THR A 93 -42.788 -0.373 -1.007 1.00 20.55 H new ATOM 0 HG21 THR A 93 -45.063 -1.006 -3.527 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.360 -2.618 -3.798 1.00 32.22 H new ATOM 0 HG23 THR A 93 -44.919 -2.153 -2.174 1.00 32.22 H new ATOM 1421 N SER A 94 -40.287 -1.903 -0.690 1.00 41.23 N ATOM 1422 CA SER A 94 -38.967 -1.397 -0.334 1.00 71.52 C ATOM 1423 C SER A 94 -37.903 -1.944 -1.279 1.00 43.33 C ATOM 1424 O SER A 94 -38.170 -2.835 -2.086 1.00 3.02 O ATOM 1425 CB SER A 94 -38.626 -1.772 1.109 1.00 20.52 C ATOM 1426 OG SER A 94 -39.366 -0.988 2.029 1.00 2.23 O ATOM 0 H SER A 94 -40.781 -2.364 0.074 1.00 41.23 H new ATOM 0 HA SER A 94 -38.985 -0.311 -0.425 1.00 71.52 H new ATOM 0 HB2 SER A 94 -38.839 -2.828 1.273 1.00 20.52 H new ATOM 0 HB3 SER A 94 -37.559 -1.631 1.282 1.00 20.52 H new ATOM 0 HG SER A 94 -38.752 -0.432 2.553 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.693 -1.404 -1.174 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.586 -1.837 -2.019 1.00 34.44 C ATOM 1434 C LEU A 95 -34.986 -3.141 -1.503 1.00 62.22 C ATOM 1435 O LEU A 95 -35.014 -3.418 -0.305 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.508 -0.754 -2.076 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.640 -0.604 -0.826 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -32.428 -1.518 -0.905 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -33.207 0.845 -0.648 1.00 61.44 C ATOM 0 H LEU A 95 -36.454 -0.666 -0.512 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.973 -2.008 -3.023 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -33.856 -0.963 -2.924 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -34.992 0.202 -2.275 1.00 53.31 H new ATOM 0 HG LEU A 95 -34.233 -0.895 0.041 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -31.822 -1.397 -0.007 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -32.758 -2.554 -0.984 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -31.833 -1.259 -1.781 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -32.590 0.933 0.246 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.632 1.162 -1.518 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -34.088 1.478 -0.545 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.441 -3.938 -2.418 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.832 -5.212 -2.055 1.00 2.41 C ATOM 1453 C ARG A 96 -32.321 -5.069 -1.901 1.00 14.45 C ATOM 1454 O ARG A 96 -31.612 -4.791 -2.868 1.00 63.30 O ATOM 1455 CB ARG A 96 -34.150 -6.272 -3.111 1.00 44.25 C ATOM 1456 CG ARG A 96 -34.004 -7.698 -2.607 1.00 63.41 C ATOM 1457 CD ARG A 96 -35.256 -8.162 -1.878 1.00 52.41 C ATOM 1458 NE ARG A 96 -36.380 -8.355 -2.790 1.00 50.34 N ATOM 1459 CZ ARG A 96 -37.531 -8.911 -2.430 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -37.710 -9.326 -1.184 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -38.507 -9.053 -3.318 1.00 2.33 N ATOM 0 H ARG A 96 -34.409 -3.724 -3.415 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.249 -5.526 -1.098 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -35.170 -6.124 -3.466 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -33.490 -6.129 -3.967 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -33.803 -8.363 -3.447 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -33.147 -7.762 -1.937 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -35.047 -9.097 -1.357 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -35.527 -7.428 -1.119 1.00 52.41 H new ATOM 0 HE ARG A 96 -36.275 -8.046 -3.756 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -36.962 -9.219 -0.498 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -38.595 -9.753 -0.911 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -38.373 -8.735 -4.278 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -39.391 -9.480 -3.041 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.835 -5.261 -0.679 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.408 -5.153 -0.398 1.00 32.11 C ATOM 1477 C VAL A 97 -29.706 -6.490 -0.601 1.00 2.42 C ATOM 1478 O VAL A 97 -30.201 -7.546 -0.206 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.155 -4.667 1.042 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.865 -5.260 1.587 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.115 -3.147 1.092 1.00 52.15 C ATOM 0 H VAL A 97 -32.408 -5.492 0.132 1.00 32.32 H new ATOM 0 HA VAL A 97 -30.002 -4.422 -1.097 1.00 32.11 H new ATOM 0 HB VAL A 97 -30.978 -5.007 1.671 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.703 -4.905 2.605 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.937 -6.348 1.589 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -28.029 -4.953 0.958 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -29.935 -2.821 2.117 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -29.313 -2.783 0.450 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.068 -2.746 0.746 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.524 -6.448 -1.233 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.727 -7.648 -1.503 1.00 3.14 C ATOM 1493 C PRO A 98 -27.136 -8.250 -0.232 1.00 31.21 C ATOM 1494 O PRO A 98 -27.023 -7.576 0.792 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.612 -7.135 -2.419 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.489 -5.687 -2.090 1.00 31.15 C ATOM 1497 CD PRO A 98 -27.873 -5.224 -1.731 1.00 23.22 C ATOM 0 HA PRO A 98 -28.327 -8.445 -1.943 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.676 -7.663 -2.238 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -26.863 -7.283 -3.469 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.799 -5.533 -1.261 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -26.098 -5.126 -2.939 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.851 -4.443 -0.971 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.396 -4.814 -2.595 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.761 -9.524 -0.305 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.182 -10.216 0.840 1.00 40.20 C ATOM 1507 C HIS A 99 -24.832 -9.612 1.214 1.00 23.32 C ATOM 1508 O HIS A 99 -23.932 -9.513 0.380 1.00 3.54 O ATOM 1509 CB HIS A 99 -26.020 -11.706 0.534 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.118 -11.983 -0.630 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -25.559 -11.997 -1.936 1.00 22.30 N ATOM 1512 CD2 HIS A 99 -23.794 -12.256 -0.678 1.00 12.11 C ATOM 1513 CE1 HIS A 99 -24.544 -12.269 -2.738 1.00 51.45 C ATOM 1514 NE2 HIS A 99 -23.461 -12.429 -1.999 1.00 54.33 N ATOM 0 H HIS A 99 -26.848 -10.097 -1.145 1.00 2.03 H new ATOM 0 HA HIS A 99 -26.860 -10.098 1.685 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -25.626 -12.209 1.417 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -27.001 -12.136 0.334 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -23.123 -12.325 0.166 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -24.592 -12.347 -3.814 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -22.529 -12.646 -2.352 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.698 -9.209 2.475 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.455 -8.619 2.936 1.00 34.40 C ATOM 1524 C GLY A 100 -23.385 -7.130 2.665 1.00 32.53 C ATOM 1525 O GLY A 100 -23.074 -6.343 3.558 1.00 13.43 O ATOM 0 H GLY A 100 -25.428 -9.281 3.184 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.347 -8.796 4.006 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.617 -9.114 2.445 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.673 -6.740 1.427 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.633 -5.336 1.062 1.00 63.32 C ATOM 1531 C GLY A 101 -22.271 -4.907 0.554 1.00 13.11 C ATOM 1532 O GLY A 101 -22.170 -4.064 -0.336 1.00 41.12 O ATOM 0 H GLY A 101 -23.933 -7.372 0.670 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.381 -5.142 0.294 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -23.901 -4.731 1.928 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.219 -5.488 1.125 1.00 35.30 N ATOM 1537 CA GLY A 102 -19.870 -5.146 0.712 1.00 42.33 C ATOM 1538 C GLY A 102 -19.261 -4.057 1.571 1.00 11.11 C ATOM 1539 O GLY A 102 -18.072 -4.098 1.888 1.00 65.03 O ATOM 0 H GLY A 102 -21.277 -6.188 1.865 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.242 -6.036 0.759 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -19.883 -4.820 -0.328 1.00 42.33 H new ATOM 1543 N GLY A 103 -20.075 -3.075 1.948 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.591 -1.982 2.770 1.00 70.24 C ATOM 1545 C GLY A 103 -20.516 -1.675 3.930 1.00 14.31 C ATOM 1546 O GLY A 103 -21.304 -2.525 4.346 1.00 75.45 O ATOM 0 H GLY A 103 -21.062 -3.018 1.698 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.602 -2.231 3.154 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.478 -1.090 2.153 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.420 -0.458 4.454 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.255 -0.041 5.574 1.00 73.30 C ATOM 1552 C ILE A 104 -21.900 1.314 5.305 1.00 61.32 C ATOM 1553 O ILE A 104 -21.327 2.158 4.614 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.444 0.040 6.882 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -19.699 -1.274 7.127 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.360 0.362 8.053 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -18.735 -1.214 8.291 1.00 42.35 C ATOM 0 H ILE A 104 -19.773 0.257 4.121 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.034 -0.796 5.685 1.00 73.30 H new ATOM 0 HB ILE A 104 -19.710 0.840 6.789 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -20.426 -2.066 7.308 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.150 -1.545 6.225 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -20.773 0.416 8.970 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -21.850 1.320 7.879 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.114 -0.419 8.150 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.243 -2.180 8.406 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -17.986 -0.445 8.104 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.281 -0.974 9.203 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.091 1.517 5.857 1.00 72.41 N ATOM 1570 CA ILE A 105 -23.813 2.770 5.678 1.00 11.13 C ATOM 1571 C ILE A 105 -23.063 3.931 6.323 1.00 43.31 C ATOM 1572 O ILE A 105 -23.105 4.113 7.541 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.230 2.695 6.274 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -26.011 1.541 5.643 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -25.963 4.012 6.067 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.315 1.746 4.176 1.00 11.11 C ATOM 0 H ILE A 105 -23.577 0.829 6.432 1.00 72.41 H new ATOM 0 HA ILE A 105 -23.890 2.940 4.604 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.148 2.512 7.345 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.441 0.620 5.762 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -26.948 1.408 6.184 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -26.963 3.943 6.494 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.414 4.815 6.558 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.038 4.223 5.000 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -26.870 0.888 3.796 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -26.912 2.649 4.051 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.382 1.848 3.622 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.379 4.719 5.498 1.00 44.11 N ATOM 1589 CA HIS A 106 -21.622 5.865 5.987 1.00 34.34 C ATOM 1590 C HIS A 106 -22.344 7.170 5.666 1.00 52.02 C ATOM 1591 O HIS A 106 -22.112 8.194 6.309 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.222 5.879 5.373 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.317 6.914 5.967 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -19.121 8.157 5.402 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.554 6.886 7.084 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.276 8.848 6.145 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -17.916 8.100 7.173 1.00 4.01 N ATOM 0 H HIS A 106 -22.334 4.584 4.488 1.00 44.11 H new ATOM 0 HA HIS A 106 -21.534 5.775 7.070 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -19.769 4.896 5.500 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.306 6.055 4.301 1.00 22.33 H new ATOM 0 HD2 HIS A 106 -18.463 6.063 7.777 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -17.937 9.854 5.946 1.00 70.15 H new ATOM 0 HE2 HIS A 106 -17.270 8.378 7.912 1.00 4.01 H new ATOM 1605 N ASP A 107 -23.220 7.127 4.668 1.00 2.53 N ATOM 1606 CA ASP A 107 -23.975 8.305 4.262 1.00 2.33 C ATOM 1607 C ASP A 107 -25.331 7.908 3.684 1.00 53.53 C ATOM 1608 O ASP A 107 -25.466 6.860 3.053 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.186 9.114 3.231 1.00 13.01 C ATOM 1610 CG ASP A 107 -22.168 10.036 3.874 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -22.478 10.608 4.941 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -21.064 10.186 3.312 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.424 6.288 4.125 1.00 2.53 H new ATOM 0 HA ASP A 107 -24.141 8.921 5.146 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -22.676 8.432 2.551 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -23.878 9.704 2.630 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.333 8.754 3.908 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.679 8.491 3.410 1.00 11.03 C ATOM 1619 C VAL A 108 -28.423 9.791 3.130 1.00 62.13 C ATOM 1620 O VAL A 108 -28.611 10.618 4.024 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.493 7.651 4.411 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -29.915 7.451 3.908 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -27.813 6.313 4.659 1.00 33.40 C ATOM 0 H VAL A 108 -26.238 9.625 4.430 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.570 7.930 2.482 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.541 8.190 5.357 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.475 6.855 4.628 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.397 8.421 3.786 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -29.892 6.934 2.949 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.402 5.732 5.369 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -27.733 5.766 3.720 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -26.816 6.481 5.066 1.00 33.40 H new ATOM 1633 N LYS A 109 -28.848 9.968 1.884 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.576 11.167 1.485 1.00 64.22 C ATOM 1635 C LYS A 109 -31.075 10.893 1.408 1.00 55.52 C ATOM 1636 O LYS A 109 -31.500 9.825 0.968 1.00 53.24 O ATOM 1637 CB LYS A 109 -29.068 11.668 0.130 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.883 12.613 0.237 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.331 14.060 0.348 1.00 43.23 C ATOM 1640 CE LYS A 109 -27.181 14.970 0.752 1.00 25.43 C ATOM 1641 NZ LYS A 109 -26.609 14.590 2.073 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.701 9.295 1.132 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.403 11.935 2.239 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.785 10.812 -0.482 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.881 12.176 -0.389 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.284 12.349 1.108 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -27.243 12.496 -0.637 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -28.739 14.390 -0.607 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.133 14.138 1.082 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -26.400 14.927 -0.007 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -27.531 16.002 0.791 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -26.084 15.396 2.469 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -27.378 14.326 2.721 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -25.965 13.782 1.953 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.871 11.867 1.838 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.322 11.733 1.816 1.00 62.24 C ATOM 1657 C VAL A 110 -33.994 13.072 1.533 1.00 62.33 C ATOM 1658 O VAL A 110 -33.792 14.046 2.258 1.00 72.31 O ATOM 1659 CB VAL A 110 -33.855 11.176 3.150 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.390 12.039 4.313 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.373 11.080 3.119 1.00 54.34 C ATOM 0 H VAL A 110 -31.535 12.757 2.206 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.562 11.033 1.016 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.454 10.172 3.291 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -33.776 11.630 5.247 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.301 12.050 4.345 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.760 13.056 4.182 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.732 10.685 4.069 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.797 12.071 2.955 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.679 10.416 2.311 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.795 13.113 0.473 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.497 14.333 0.093 1.00 61.30 C ATOM 1673 C PHE A 111 -37.002 14.180 0.296 1.00 14.04 C ATOM 1674 O PHE A 111 -37.542 13.079 0.207 1.00 54.20 O ATOM 1675 CB PHE A 111 -35.200 14.683 -1.366 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.744 14.592 -1.720 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.783 15.178 -0.912 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.335 13.921 -2.862 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.441 15.096 -1.235 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -31.996 13.835 -3.189 1.00 44.30 C ATOM 1681 CZ PHE A 111 -31.047 14.424 -2.376 1.00 45.00 C ATOM 0 H PHE A 111 -34.974 12.316 -0.138 1.00 31.14 H new ATOM 0 HA PHE A 111 -35.143 15.141 0.733 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.766 14.014 -2.014 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.552 15.695 -1.567 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -33.086 15.705 -0.019 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -34.072 13.460 -3.503 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.702 15.557 -0.596 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.691 13.307 -4.080 1.00 44.30 H new ATOM 0 HZ PHE A 111 -30.000 14.359 -2.632 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.673 15.294 0.568 1.00 50.25 N ATOM 1692 CA ASN A 112 -39.115 15.286 0.784 1.00 72.43 C ATOM 1693 C ASN A 112 -39.803 16.326 -0.094 1.00 13.34 C ATOM 1694 O ASN A 112 -39.383 17.482 -0.150 1.00 60.11 O ATOM 1695 CB ASN A 112 -39.432 15.553 2.256 1.00 64.11 C ATOM 1696 CG ASN A 112 -40.888 15.918 2.477 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -41.199 16.882 3.178 1.00 74.51 O ATOM 1698 ND2 ASN A 112 -41.788 15.148 1.877 1.00 45.40 N ATOM 0 H ASN A 112 -37.241 16.215 0.644 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.493 14.301 0.511 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -39.189 14.668 2.844 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -38.798 16.361 2.621 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -42.783 15.345 1.988 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -41.485 14.360 1.305 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.863 15.907 -0.778 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.610 16.802 -1.654 1.00 53.42 C ATOM 1707 C ARG A 113 -42.180 17.980 -0.870 1.00 54.43 C ATOM 1708 O ARG A 113 -42.174 19.115 -1.344 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.741 16.043 -2.351 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.556 16.902 -3.302 1.00 1.01 C ATOM 1711 CD ARG A 113 -44.904 16.269 -3.609 1.00 10.22 C ATOM 1712 NE ARG A 113 -44.832 15.349 -4.741 1.00 43.12 N ATOM 1713 CZ ARG A 113 -45.888 14.723 -5.248 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -47.092 14.918 -4.726 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -45.742 13.902 -6.279 1.00 54.41 N ATOM 0 H ARG A 113 -41.224 14.954 -0.742 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.923 17.188 -2.407 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -42.317 15.205 -2.905 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -43.405 15.623 -1.595 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -43.708 17.888 -2.864 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -43.001 17.047 -4.229 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -45.262 15.734 -2.729 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -45.631 17.052 -3.824 1.00 10.22 H new ATOM 0 HE ARG A 113 -43.921 15.178 -5.166 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -47.208 15.550 -3.934 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -47.902 14.436 -5.117 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -44.818 13.751 -6.684 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -46.554 13.422 -6.667 1.00 54.41 H new ATOM 1729 N GLU A 114 -42.674 17.699 0.333 1.00 1.14 N ATOM 1730 CA GLU A 114 -43.250 18.735 1.182 1.00 4.11 C ATOM 1731 C GLU A 114 -42.189 19.750 1.597 1.00 41.23 C ATOM 1732 O GLU A 114 -42.507 20.884 1.956 1.00 33.03 O ATOM 1733 CB GLU A 114 -43.888 18.111 2.425 1.00 54.33 C ATOM 1734 CG GLU A 114 -45.383 17.874 2.287 1.00 44.41 C ATOM 1735 CD GLU A 114 -46.197 19.134 2.513 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -45.591 20.219 2.634 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -47.441 19.035 2.569 1.00 73.01 O1- ATOM 0 H GLU A 114 -42.687 16.764 0.740 1.00 1.14 H new ATOM 0 HA GLU A 114 -44.019 19.253 0.609 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -43.396 17.162 2.638 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -43.709 18.762 3.281 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -45.595 17.483 1.292 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -45.694 17.112 3.002 1.00 44.41 H new ATOM 1744 N ASP A 115 -40.929 19.334 1.545 1.00 61.31 N ATOM 1745 CA ASP A 115 -39.819 20.207 1.915 1.00 32.24 C ATOM 1746 C ASP A 115 -39.572 21.257 0.837 1.00 43.43 C ATOM 1747 O ASP A 115 -38.882 22.249 1.069 1.00 43.12 O ATOM 1748 CB ASP A 115 -38.551 19.384 2.144 1.00 53.53 C ATOM 1749 CG ASP A 115 -37.466 20.178 2.845 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -37.768 21.279 3.351 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -36.315 19.696 2.891 1.00 32.32 O1- ATOM 0 H ASP A 115 -40.650 18.398 1.251 1.00 61.31 H new ATOM 0 HA ASP A 115 -40.083 20.718 2.841 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -38.795 18.504 2.738 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -38.175 19.027 1.185 1.00 53.53 H new ATOM 1756 N GLY A 116 -40.138 21.031 -0.345 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.966 21.966 -1.441 1.00 23.20 C ATOM 1758 C GLY A 116 -39.058 21.424 -2.528 1.00 2.22 C ATOM 1759 O GLY A 116 -38.483 22.188 -3.303 1.00 55.14 O ATOM 0 H GLY A 116 -40.713 20.217 -0.563 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.940 22.202 -1.870 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -39.552 22.899 -1.058 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.930 20.103 -2.585 1.00 71.14 N ATOM 1764 CA ASP A 117 -38.085 19.460 -3.584 1.00 22.33 C ATOM 1765 C ASP A 117 -38.927 18.881 -4.716 1.00 23.13 C ATOM 1766 O ASP A 117 -39.622 17.882 -4.536 1.00 55.15 O ATOM 1767 CB ASP A 117 -37.246 18.355 -2.939 1.00 15.40 C ATOM 1768 CG ASP A 117 -36.013 18.896 -2.243 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -35.487 19.937 -2.690 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -35.573 18.279 -1.249 1.00 42.23 O1- ATOM 0 H ASP A 117 -39.401 19.457 -1.951 1.00 71.14 H new ATOM 0 HA ASP A 117 -37.418 20.215 -4.001 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -37.858 17.812 -2.218 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -36.944 17.639 -3.703 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.861 19.517 -5.881 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.620 19.066 -7.042 1.00 23.12 C ATOM 1777 C GLU A 118 -39.261 17.627 -7.400 1.00 62.43 C ATOM 1778 O GLU A 118 -38.097 17.228 -7.329 1.00 43.24 O ATOM 1779 CB GLU A 118 -39.357 19.982 -8.239 1.00 34.24 C ATOM 1780 CG GLU A 118 -40.295 19.738 -9.410 1.00 62.21 C ATOM 1781 CD GLU A 118 -39.876 20.488 -10.659 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -38.723 20.965 -10.707 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -40.703 20.600 -11.588 1.00 0.43 O1- ATOM 0 H GLU A 118 -38.290 20.346 -6.046 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.680 19.106 -6.790 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -39.451 21.020 -7.919 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -38.329 19.843 -8.573 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -40.330 18.670 -9.626 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -41.305 20.040 -9.131 1.00 62.21 H new ATOM 1790 N LEU A 119 -40.267 16.850 -7.786 1.00 53.45 N ATOM 1791 CA LEU A 119 -40.060 15.455 -8.155 1.00 44.14 C ATOM 1792 C LEU A 119 -40.797 15.117 -9.447 1.00 13.41 C ATOM 1793 O LEU A 119 -41.741 15.799 -9.848 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.533 14.533 -7.030 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.541 14.304 -5.888 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -40.201 13.535 -4.754 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -38.310 13.562 -6.392 1.00 64.10 C ATOM 0 H LEU A 119 -41.235 17.163 -7.851 1.00 53.45 H new ATOM 0 HA LEU A 119 -38.993 15.304 -8.317 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.450 14.946 -6.610 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.788 13.566 -7.463 1.00 54.15 H new ATOM 0 HG LEU A 119 -39.225 15.275 -5.506 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -39.480 13.381 -3.951 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -41.051 14.103 -4.375 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -40.546 12.569 -5.122 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -37.615 13.408 -5.567 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -38.609 12.597 -6.800 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -37.824 14.150 -7.170 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.358 14.041 -10.116 1.00 20.10 N ATOM 1810 CA PRO A 120 -40.964 13.587 -11.371 1.00 0.40 C ATOM 1811 C PRO A 120 -42.361 13.013 -11.166 1.00 11.03 C ATOM 1812 O PRO A 120 -42.793 12.751 -10.043 1.00 42.43 O ATOM 1813 CB PRO A 120 -40.003 12.498 -11.855 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.343 11.998 -10.617 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.237 13.183 -9.696 1.00 64.30 C ATOM 0 HA PRO A 120 -41.095 14.405 -12.080 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.537 11.699 -12.369 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.273 12.898 -12.559 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -39.926 11.199 -10.159 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.358 11.587 -10.839 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.326 12.889 -8.650 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.279 13.692 -9.804 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.087 12.810 -12.276 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.447 12.263 -12.243 1.00 63.41 C ATOM 1825 C PRO A 121 -44.470 10.792 -11.842 1.00 74.12 C ATOM 1826 O PRO A 121 -43.843 9.953 -12.486 1.00 70.11 O ATOM 1827 CB PRO A 121 -44.932 12.431 -13.686 1.00 51.31 C ATOM 1828 CG PRO A 121 -43.687 12.448 -14.503 1.00 10.41 C ATOM 1829 CD PRO A 121 -42.636 13.099 -13.647 1.00 53.13 C ATOM 0 HA PRO A 121 -45.072 12.769 -11.507 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -45.588 11.612 -13.981 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.499 13.354 -13.808 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -43.391 11.437 -14.783 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -43.836 13.004 -15.428 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -41.647 12.685 -13.840 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -42.574 14.171 -13.832 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.199 10.487 -10.772 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.291 9.117 -10.303 1.00 45.50 C ATOM 1839 C GLY A 122 -44.526 8.892 -9.014 1.00 61.31 C ATOM 1840 O GLY A 122 -44.715 7.880 -8.339 1.00 64.21 O ATOM 0 H GLY A 122 -45.727 11.165 -10.222 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.339 8.858 -10.150 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -44.906 8.447 -11.072 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.658 9.839 -8.670 1.00 20.12 N ATOM 1845 CA VAL A 123 -42.861 9.740 -7.453 1.00 30.11 C ATOM 1846 C VAL A 123 -43.364 10.706 -6.387 1.00 42.43 C ATOM 1847 O VAL A 123 -43.805 11.812 -6.695 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.374 10.030 -7.731 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.572 9.993 -6.439 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -40.818 9.037 -8.741 1.00 34.10 C ATOM 0 H VAL A 123 -43.489 10.683 -9.217 1.00 20.12 H new ATOM 0 HA VAL A 123 -42.963 8.717 -7.090 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.290 11.031 -8.154 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.524 10.200 -6.655 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -40.956 10.746 -5.751 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.660 9.006 -5.984 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -39.766 9.256 -8.926 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -40.914 8.025 -8.347 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.375 9.117 -9.675 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.295 10.279 -5.130 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.744 11.106 -4.015 1.00 53.53 C ATOM 1862 C ASN A 124 -42.566 11.524 -3.140 1.00 53.12 C ATOM 1863 O ASN A 124 -42.594 12.581 -2.509 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.776 10.351 -3.176 1.00 43.21 C ATOM 1865 CG ASN A 124 -45.904 9.787 -4.017 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.112 10.204 -5.157 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.641 8.834 -3.457 1.00 3.04 N ATOM 0 H ASN A 124 -42.933 9.365 -4.858 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.207 12.004 -4.424 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.282 9.538 -2.643 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -45.189 11.022 -2.423 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.415 8.417 -3.975 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.433 8.519 -2.510 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.534 10.688 -3.107 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.347 10.972 -2.308 1.00 61.22 C ATOM 1876 C GLN A 125 -39.095 10.420 -2.980 1.00 32.52 C ATOM 1877 O GLN A 125 -39.179 9.630 -3.921 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.495 10.374 -0.908 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.449 11.149 -0.013 1.00 12.52 C ATOM 1880 CD GLN A 125 -42.834 10.535 0.032 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -43.009 9.402 0.484 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.828 11.281 -0.436 1.00 13.11 N ATOM 0 H GLN A 125 -41.495 9.809 -3.623 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.245 12.054 -2.224 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -40.847 9.346 -0.996 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.515 10.335 -0.433 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -41.041 11.191 0.997 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.522 12.176 -0.370 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -43.637 12.214 -0.801 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -44.782 10.921 -0.430 1.00 13.11 H new ATOM 1891 N LEU A 126 -37.933 10.841 -2.492 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.661 10.390 -3.046 1.00 42.24 C ATOM 1893 C LEU A 126 -35.660 10.089 -1.936 1.00 22.01 C ATOM 1894 O LEU A 126 -35.478 10.888 -1.016 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.089 11.449 -3.991 1.00 14.10 C ATOM 1896 CG LEU A 126 -35.045 10.958 -4.994 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.759 10.570 -4.282 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.587 9.784 -5.797 1.00 54.24 C ATOM 0 H LEU A 126 -37.846 11.494 -1.714 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.842 9.472 -3.606 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -36.914 11.897 -4.545 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.642 12.241 -3.390 1.00 14.10 H new ATOM 0 HG LEU A 126 -34.822 11.772 -5.683 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -33.029 10.223 -5.013 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.360 11.436 -3.753 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -33.965 9.772 -3.568 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -34.830 9.448 -6.506 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -35.840 8.967 -5.121 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.480 10.095 -6.340 1.00 54.24 H new ATOM 1910 N VAL A 127 -35.011 8.933 -2.028 1.00 20.53 N ATOM 1911 CA VAL A 127 -34.025 8.527 -1.033 1.00 45.13 C ATOM 1912 C VAL A 127 -32.905 7.713 -1.670 1.00 1.10 C ATOM 1913 O VAL A 127 -33.158 6.801 -2.459 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.672 7.699 0.093 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -33.655 7.394 1.183 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -35.877 8.429 0.665 1.00 54.52 C ATOM 0 H VAL A 127 -35.150 8.260 -2.782 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.609 9.440 -0.608 1.00 45.13 H new ATOM 0 HB VAL A 127 -35.015 6.753 -0.325 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -34.130 6.808 1.970 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -32.826 6.827 0.759 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -33.279 8.328 1.602 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -36.322 7.830 1.459 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -35.562 9.391 1.069 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -36.612 8.590 -0.123 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.667 8.047 -1.322 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.506 7.346 -1.859 1.00 61.44 C ATOM 1928 C ARG A 128 -29.584 6.880 -0.737 1.00 20.05 C ATOM 1929 O ARG A 128 -29.299 7.629 0.198 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.737 8.252 -2.822 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.579 8.761 -3.982 1.00 2.30 C ATOM 1932 CD ARG A 128 -29.834 9.811 -4.791 1.00 44.25 C ATOM 1933 NE ARG A 128 -30.400 9.975 -6.127 1.00 42.20 N ATOM 1934 CZ ARG A 128 -29.771 10.591 -7.122 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -28.560 11.098 -6.932 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -30.352 10.701 -8.309 1.00 64.11 N ATOM 0 H ARG A 128 -31.442 8.799 -0.670 1.00 4.20 H new ATOM 0 HA ARG A 128 -30.862 6.470 -2.401 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.342 9.104 -2.269 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -28.881 7.705 -3.218 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -30.851 7.927 -4.629 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.508 9.185 -3.601 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -29.866 10.765 -4.264 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -28.785 9.528 -4.874 1.00 44.25 H new ATOM 0 HE ARG A 128 -31.330 9.596 -6.306 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -28.110 11.015 -6.020 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -28.079 11.570 -7.697 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -31.283 10.312 -8.459 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -29.868 11.174 -9.072 1.00 64.11 H new ATOM 1950 N VAL A 129 -29.121 5.637 -0.836 1.00 61.44 N ATOM 1951 CA VAL A 129 -28.230 5.071 0.171 1.00 71.52 C ATOM 1952 C VAL A 129 -26.798 4.992 -0.346 1.00 13.23 C ATOM 1953 O VAL A 129 -26.565 4.721 -1.524 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.689 3.665 0.598 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.685 3.045 1.559 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -30.073 3.724 1.227 1.00 62.34 C ATOM 0 H VAL A 129 -29.348 5.004 -1.603 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.265 5.734 1.035 1.00 71.52 H new ATOM 0 HB VAL A 129 -28.745 3.035 -0.290 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -28.026 2.051 1.850 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -26.714 2.967 1.070 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -27.595 3.672 2.446 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -30.381 2.721 1.523 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -30.046 4.369 2.105 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -30.784 4.124 0.504 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.841 5.228 0.545 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.430 5.186 0.178 1.00 2.11 C ATOM 1968 C TYR A 130 -23.672 4.185 1.046 1.00 50.21 C ATOM 1969 O TYR A 130 -23.761 4.219 2.274 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.803 6.574 0.317 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.377 7.596 -0.639 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.678 8.060 -0.489 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.620 8.094 -1.691 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -26.207 8.993 -1.361 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -24.140 9.028 -2.566 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.434 9.474 -2.398 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.957 10.403 -3.268 1.00 43.15 O ATOM 0 H TYR A 130 -26.016 5.450 1.525 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.361 4.866 -0.862 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -23.943 6.926 1.339 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.729 6.497 0.151 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.286 7.686 0.322 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.607 7.745 -1.828 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.220 9.344 -1.231 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.536 9.407 -3.377 1.00 13.34 H new ATOM 0 HH TYR A 130 -25.283 10.638 -3.939 1.00 43.15 H new ATOM 1987 N ILE A 131 -22.927 3.296 0.399 1.00 62.14 N ATOM 1988 CA ILE A 131 -22.152 2.287 1.110 1.00 14.52 C ATOM 1989 C ILE A 131 -20.689 2.315 0.682 1.00 32.22 C ATOM 1990 O ILE A 131 -20.353 1.955 -0.446 1.00 50.11 O ATOM 1991 CB ILE A 131 -22.718 0.873 0.874 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -23.931 0.629 1.773 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -21.644 -0.175 1.126 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -25.220 0.429 1.008 1.00 41.20 C ATOM 0 H ILE A 131 -22.844 3.254 -0.617 1.00 62.14 H new ATOM 0 HA ILE A 131 -22.222 2.525 2.171 1.00 14.52 H new ATOM 0 HB ILE A 131 -23.039 0.794 -0.165 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -23.744 -0.250 2.390 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -24.047 1.475 2.450 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -22.058 -1.169 0.955 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -20.807 -0.009 0.447 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.296 -0.099 2.156 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -26.037 0.261 1.710 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.430 1.317 0.411 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -25.123 -0.435 0.351 1.00 41.20 H new ATOM 2006 N VAL A 132 -19.820 2.744 1.593 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.391 2.816 1.311 1.00 34.34 C ATOM 2008 C VAL A 132 -17.712 1.475 1.567 1.00 0.01 C ATOM 2009 O VAL A 132 -17.949 0.834 2.591 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.705 3.898 2.165 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -18.252 5.276 1.822 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.882 3.599 3.646 1.00 73.24 C ATOM 0 H VAL A 132 -20.081 3.047 2.532 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.289 3.076 0.257 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.638 3.891 1.941 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.755 6.028 2.436 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -18.069 5.488 0.769 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -19.324 5.300 2.016 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -17.391 4.374 4.235 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.944 3.578 3.888 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -17.438 2.631 3.877 1.00 73.24 H new ATOM 2022 N GLN A 133 -16.866 1.058 0.631 1.00 42.41 N ATOM 2023 CA GLN A 133 -16.152 -0.207 0.756 1.00 12.41 C ATOM 2024 C GLN A 133 -14.967 -0.072 1.707 1.00 54.20 C ATOM 2025 O GLN A 133 -14.305 0.966 1.748 1.00 2.20 O ATOM 2026 CB GLN A 133 -15.669 -0.683 -0.615 1.00 71.20 C ATOM 2027 CG GLN A 133 -16.700 -1.508 -1.370 1.00 14.21 C ATOM 2028 CD GLN A 133 -17.672 -0.649 -2.155 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -17.331 -0.109 -3.208 1.00 73.53 O ATOM 2030 NE2 GLN A 133 -18.892 -0.520 -1.646 1.00 12.32 N ATOM 0 H GLN A 133 -16.658 1.577 -0.222 1.00 42.41 H new ATOM 0 HA GLN A 133 -16.842 -0.945 1.166 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -15.398 0.184 -1.217 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -14.764 -1.277 -0.486 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -16.188 -2.187 -2.052 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -17.255 -2.125 -0.663 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -19.131 -0.985 -0.770 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.590 0.044 -2.131 1.00 12.32 H new