USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 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 108 CYS SG : rot 180:sc=0.000393 USER MOD Set 1.2: A 109 CYS SG : rot 39:sc= -0.0274 USER MOD Set 2.1: A 8 TYR OH : rot 175:sc= 1.94 USER MOD Set 2.2: A 41 TYR OH : rot 12:sc= 0.283 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=-0.14) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 16 GLN : amide:sc= -0.0335 K(o=-0.033,f=-2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 0.263 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0507 K(o=-0.051,f=-0.8) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -4.65! C(o=-4.6!,f=-7.9!) USER MOD Single : A 100 SER OG : rot 89:sc= 0.992 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 66:sc= 0.542 USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 -8.694 10.311 2.149 1.00 23.25 N ATOM 70 CA PHE A 6 -9.230 9.368 3.123 1.00 32.10 C ATOM 71 C PHE A 6 -8.346 8.129 3.225 1.00 33.24 C ATOM 72 O PHE A 6 -8.171 7.564 4.304 1.00 3.30 O ATOM 73 CB PHE A 6 -10.654 8.961 2.740 1.00 51.13 C ATOM 74 CG PHE A 6 -11.545 8.708 3.922 1.00 3.01 C ATOM 75 CD1 PHE A 6 -12.205 9.754 4.547 1.00 61.44 C ATOM 76 CD2 PHE A 6 -11.722 7.423 4.410 1.00 10.15 C ATOM 77 CE1 PHE A 6 -13.023 9.524 5.635 1.00 54.11 C ATOM 78 CE2 PHE A 6 -12.541 7.186 5.499 1.00 43.24 C ATOM 79 CZ PHE A 6 -13.193 8.238 6.112 1.00 70.14 C ATOM 0 HA PHE A 6 -9.249 9.861 4.095 1.00 32.10 H new ATOM 0 HB2 PHE A 6 -11.094 9.746 2.125 1.00 51.13 H new ATOM 0 HB3 PHE A 6 -10.613 8.061 2.127 1.00 51.13 H new ATOM 0 HD1 PHE A 6 -12.078 10.761 4.179 1.00 61.44 H new ATOM 0 HD2 PHE A 6 -11.214 6.597 3.934 1.00 10.15 H new ATOM 0 HE1 PHE A 6 -13.530 10.349 6.113 1.00 54.11 H new ATOM 0 HE2 PHE A 6 -12.671 6.180 5.869 1.00 43.24 H new ATOM 0 HZ PHE A 6 -13.834 8.056 6.962 1.00 70.14 H new ATOM 88 N TRP A 7 -7.792 7.711 2.092 1.00 23.32 N ATOM 89 CA TRP A 7 -6.925 6.538 2.053 1.00 14.22 C ATOM 90 C TRP A 7 -5.477 6.921 2.338 1.00 54.14 C ATOM 91 O TRP A 7 -4.620 6.056 2.518 1.00 34.13 O ATOM 92 CB TRP A 7 -7.025 5.850 0.690 1.00 13.22 C ATOM 93 CG TRP A 7 -8.130 4.841 0.614 1.00 14.35 C ATOM 94 CD1 TRP A 7 -9.117 4.777 -0.328 1.00 34.23 C ATOM 95 CD2 TRP A 7 -8.362 3.754 1.516 1.00 60.30 C ATOM 96 NE1 TRP A 7 -9.949 3.714 -0.065 1.00 62.01 N ATOM 97 CE2 TRP A 7 -9.506 3.071 1.060 1.00 21.34 C ATOM 98 CE3 TRP A 7 -7.713 3.290 2.663 1.00 0.43 C ATOM 99 CZ2 TRP A 7 -10.013 1.951 1.713 1.00 35.23 C ATOM 100 CZ3 TRP A 7 -8.218 2.178 3.311 1.00 74.30 C ATOM 101 CH2 TRP A 7 -9.358 1.517 2.834 1.00 63.12 C ATOM 0 H TRP A 7 -7.927 8.166 1.189 1.00 23.32 H new ATOM 0 HA TRP A 7 -7.257 5.846 2.827 1.00 14.22 H new ATOM 0 HB2 TRP A 7 -7.179 6.606 -0.080 1.00 13.22 H new ATOM 0 HB3 TRP A 7 -6.078 5.358 0.469 1.00 13.22 H new ATOM 0 HD1 TRP A 7 -9.228 5.460 -1.157 1.00 34.23 H new ATOM 0 HE1 TRP A 7 -10.764 3.448 -0.618 1.00 62.01 H new ATOM 0 HE3 TRP A 7 -6.832 3.791 3.037 1.00 0.43 H new ATOM 0 HZ2 TRP A 7 -10.893 1.442 1.348 1.00 35.23 H new ATOM 0 HZ3 TRP A 7 -7.726 1.812 4.200 1.00 74.30 H new ATOM 0 HH2 TRP A 7 -9.727 0.649 3.361 1.00 63.12 H new ATOM 111 N TYR A 8 -5.210 8.222 2.378 1.00 11.10 N ATOM 112 CA TYR A 8 -3.865 8.718 2.639 1.00 71.13 C ATOM 113 C TYR A 8 -3.789 9.394 4.005 1.00 34.23 C ATOM 114 O TYR A 8 -4.342 10.474 4.209 1.00 12.14 O ATOM 115 CB TYR A 8 -3.441 9.703 1.547 1.00 11.33 C ATOM 116 CG TYR A 8 -2.108 10.364 1.813 1.00 75.51 C ATOM 117 CD1 TYR A 8 -2.022 11.511 2.592 1.00 1.33 C ATOM 118 CD2 TYR A 8 -0.934 9.844 1.282 1.00 1.14 C ATOM 119 CE1 TYR A 8 -0.806 12.119 2.838 1.00 55.05 C ATOM 120 CE2 TYR A 8 0.287 10.444 1.524 1.00 54.23 C ATOM 121 CZ TYR A 8 0.345 11.582 2.301 1.00 60.41 C ATOM 122 OH TYR A 8 1.559 12.184 2.542 1.00 62.02 O ATOM 0 H TYR A 8 -5.908 8.952 2.233 1.00 11.10 H new ATOM 0 HA TYR A 8 -3.185 7.866 2.636 1.00 71.13 H new ATOM 0 HB2 TYR A 8 -3.392 9.177 0.594 1.00 11.33 H new ATOM 0 HB3 TYR A 8 -4.206 10.473 1.447 1.00 11.33 H new ATOM 0 HD1 TYR A 8 -2.922 11.935 3.013 1.00 1.33 H new ATOM 0 HD2 TYR A 8 -0.977 8.955 0.670 1.00 1.14 H new ATOM 0 HE1 TYR A 8 -0.757 13.009 3.447 1.00 55.05 H new ATOM 0 HE2 TYR A 8 1.191 10.024 1.107 1.00 54.23 H new ATOM 0 HH TYR A 8 2.277 11.637 2.161 1.00 62.02 H new ATOM 131 N LYS A 9 -3.098 8.748 4.938 1.00 22.11 N ATOM 132 CA LYS A 9 -2.945 9.284 6.286 1.00 11.30 C ATOM 133 C LYS A 9 -1.535 9.041 6.812 1.00 42.24 C ATOM 134 O LYS A 9 -1.135 7.910 7.088 1.00 65.44 O ATOM 135 CB LYS A 9 -3.969 8.647 7.228 1.00 5.13 C ATOM 136 CG LYS A 9 -5.354 9.261 7.127 1.00 51.05 C ATOM 137 CD LYS A 9 -6.370 8.486 7.949 1.00 13.23 C ATOM 138 CE LYS A 9 -7.790 8.744 7.469 1.00 62.12 C ATOM 139 NZ LYS A 9 -8.593 9.483 8.482 1.00 40.15 N ATOM 0 H LYS A 9 -2.635 7.852 4.786 1.00 22.11 H new ATOM 0 HA LYS A 9 -3.117 10.360 6.244 1.00 11.30 H new ATOM 0 HB2 LYS A 9 -4.037 7.581 7.010 1.00 5.13 H new ATOM 0 HB3 LYS A 9 -3.613 8.741 8.254 1.00 5.13 H new ATOM 0 HG2 LYS A 9 -5.320 10.295 7.470 1.00 51.05 H new ATOM 0 HG3 LYS A 9 -5.669 9.281 6.084 1.00 51.05 H new ATOM 0 HD2 LYS A 9 -6.152 7.420 7.887 1.00 13.23 H new ATOM 0 HD3 LYS A 9 -6.283 8.769 8.998 1.00 13.23 H new ATOM 0 HE2 LYS A 9 -7.761 9.315 6.541 1.00 62.12 H new ATOM 0 HE3 LYS A 9 -8.275 7.794 7.244 1.00 62.12 H new ATOM 0 HZ1 LYS A 9 -9.554 9.639 8.117 1.00 40.15 H new ATOM 0 HZ2 LYS A 9 -8.642 8.927 9.359 1.00 40.15 H new ATOM 0 HZ3 LYS A 9 -8.144 10.400 8.679 1.00 40.15 H new ATOM 149 N PRO A 10 -0.761 10.127 6.956 1.00 44.12 N ATOM 150 CA PRO A 10 0.616 10.058 7.452 1.00 61.51 C ATOM 151 C PRO A 10 0.683 9.693 8.931 1.00 42.13 C ATOM 152 O PRO A 10 1.590 8.984 9.367 1.00 71.11 O ATOM 153 CB PRO A 10 1.147 11.476 7.227 1.00 73.13 C ATOM 154 CG PRO A 10 -0.067 12.341 7.235 1.00 34.34 C ATOM 155 CD PRO A 10 -1.172 11.507 6.647 1.00 40.43 C ATOM 0 HA PRO A 10 1.193 9.286 6.943 1.00 61.51 H new ATOM 0 HB2 PRO A 10 1.845 11.766 8.012 1.00 73.13 H new ATOM 0 HB3 PRO A 10 1.682 11.553 6.280 1.00 73.13 H new ATOM 0 HG2 PRO A 10 -0.314 12.658 8.248 1.00 34.34 H new ATOM 0 HG3 PRO A 10 0.094 13.245 6.648 1.00 34.34 H new ATOM 0 HD2 PRO A 10 -2.137 11.748 7.092 1.00 40.43 H new ATOM 0 HD3 PRO A 10 -1.268 11.667 5.573 1.00 40.43 H new ATOM 160 N HIS A 11 -0.284 10.184 9.700 1.00 14.35 N ATOM 161 CA HIS A 11 -0.337 9.907 11.132 1.00 62.05 C ATOM 162 C HIS A 11 -0.786 8.474 11.394 1.00 72.42 C ATOM 163 O HIS A 11 -0.762 8.002 12.531 1.00 61.33 O ATOM 164 CB HIS A 11 -1.284 10.886 11.826 1.00 3.32 C ATOM 165 CG HIS A 11 -0.791 12.301 11.826 1.00 20.21 C ATOM 166 ND1 HIS A 11 0.532 12.636 11.629 1.00 1.11 N ATOM 167 CD2 HIS A 11 -1.452 13.469 11.999 1.00 62.34 C ATOM 168 CE1 HIS A 11 0.664 13.950 11.682 1.00 32.53 C ATOM 169 NE2 HIS A 11 -0.526 14.479 11.904 1.00 4.13 N ATOM 0 H HIS A 11 -1.041 10.775 9.356 1.00 14.35 H new ATOM 0 HA HIS A 11 0.667 10.033 11.538 1.00 62.05 H new ATOM 0 HB2 HIS A 11 -2.256 10.849 11.334 1.00 3.32 H new ATOM 0 HB3 HIS A 11 -1.436 10.563 12.856 1.00 3.32 H new ATOM 0 HD2 HIS A 11 -2.511 13.585 12.178 1.00 62.34 H new ATOM 0 HE1 HIS A 11 1.587 14.498 11.564 1.00 32.53 H new ATOM 0 HE2 HIS A 11 -0.725 15.476 11.991 1.00 4.13 H new ATOM 176 N LEU A 12 -1.197 7.785 10.333 1.00 4.34 N ATOM 177 CA LEU A 12 -1.653 6.404 10.449 1.00 71.31 C ATOM 178 C LEU A 12 -0.476 5.458 10.665 1.00 4.31 C ATOM 179 O LEU A 12 0.582 5.619 10.058 1.00 1.11 O ATOM 180 CB LEU A 12 -2.425 5.996 9.193 1.00 54.14 C ATOM 181 CG LEU A 12 -3.510 4.936 9.388 1.00 33.35 C ATOM 182 CD1 LEU A 12 -4.564 5.424 10.368 1.00 15.52 C ATOM 183 CD2 LEU A 12 -4.146 4.572 8.053 1.00 4.03 C ATOM 0 H LEU A 12 -1.223 8.160 9.385 1.00 4.34 H new ATOM 0 HA LEU A 12 -2.313 6.336 11.314 1.00 71.31 H new ATOM 0 HB2 LEU A 12 -2.888 6.887 8.769 1.00 54.14 H new ATOM 0 HB3 LEU A 12 -1.712 5.626 8.456 1.00 54.14 H new ATOM 0 HG LEU A 12 -3.046 4.041 9.803 1.00 33.35 H new ATOM 0 HD11 LEU A 12 -5.327 4.656 10.494 1.00 15.52 H new ATOM 0 HD12 LEU A 12 -4.097 5.632 11.331 1.00 15.52 H new ATOM 0 HD13 LEU A 12 -5.025 6.334 9.984 1.00 15.52 H new ATOM 0 HD21 LEU A 12 -4.916 3.817 8.211 1.00 4.03 H new ATOM 0 HD22 LEU A 12 -4.595 5.461 7.610 1.00 4.03 H new ATOM 0 HD23 LEU A 12 -3.383 4.178 7.382 1.00 4.03 H new ATOM 194 N SER A 13 -0.670 4.471 11.533 1.00 20.13 N ATOM 195 CA SER A 13 0.376 3.499 11.831 1.00 3.01 C ATOM 196 C SER A 13 0.187 2.228 11.010 1.00 4.43 C ATOM 197 O SER A 13 -0.906 1.954 10.514 1.00 34.32 O ATOM 198 CB SER A 13 0.377 3.161 13.324 1.00 60.34 C ATOM 199 OG SER A 13 -0.774 3.683 13.965 1.00 21.21 O ATOM 0 H SER A 13 -1.541 4.323 12.042 1.00 20.13 H new ATOM 0 HA SER A 13 1.336 3.942 11.565 1.00 3.01 H new ATOM 0 HB2 SER A 13 0.411 2.079 13.455 1.00 60.34 H new ATOM 0 HB3 SER A 13 1.274 3.568 13.792 1.00 60.34 H new ATOM 0 HG SER A 13 -0.751 3.452 14.917 1.00 21.21 H new ATOM 204 N ARG A 14 1.259 1.455 10.872 1.00 15.14 N ATOM 205 CA ARG A 14 1.213 0.213 10.110 1.00 55.52 C ATOM 206 C ARG A 14 0.110 -0.705 10.632 1.00 41.35 C ATOM 207 O ARG A 14 -0.691 -1.230 9.859 1.00 51.45 O ATOM 208 CB ARG A 14 2.563 -0.504 10.179 1.00 54.12 C ATOM 209 CG ARG A 14 3.741 0.381 9.806 1.00 33.42 C ATOM 210 CD ARG A 14 4.727 0.510 10.957 1.00 41.13 C ATOM 211 NE ARG A 14 5.791 1.465 10.661 1.00 10.42 N ATOM 212 CZ ARG A 14 6.841 1.183 9.899 1.00 73.11 C ATOM 213 NH1 ARG A 14 6.967 -0.021 9.357 1.00 73.13 N ATOM 214 NH2 ARG A 14 7.768 2.105 9.676 1.00 62.53 N ATOM 0 H ARG A 14 2.170 1.667 11.278 1.00 15.14 H new ATOM 0 HA ARG A 14 0.994 0.462 9.072 1.00 55.52 H new ATOM 0 HB2 ARG A 14 2.711 -0.885 11.189 1.00 54.12 H new ATOM 0 HB3 ARG A 14 2.542 -1.366 9.513 1.00 54.12 H new ATOM 0 HG2 ARG A 14 4.249 -0.035 8.935 1.00 33.42 H new ATOM 0 HG3 ARG A 14 3.380 1.369 9.522 1.00 33.42 H new ATOM 0 HD2 ARG A 14 4.196 0.825 11.855 1.00 41.13 H new ATOM 0 HD3 ARG A 14 5.164 -0.465 11.171 1.00 41.13 H new ATOM 0 HE ARG A 14 5.724 2.401 11.062 1.00 10.42 H new ATOM 0 HH11 ARG A 14 6.256 -0.733 9.525 1.00 73.13 H new ATOM 0 HH12 ARG A 14 7.775 -0.235 8.772 1.00 73.13 H new ATOM 0 HH21 ARG A 14 7.675 3.032 10.090 1.00 62.53 H new ATOM 0 HH22 ARG A 14 8.574 1.887 9.090 1.00 62.53 H new ATOM 225 N ASP A 15 0.078 -0.892 11.947 1.00 74.03 N ATOM 226 CA ASP A 15 -0.926 -1.745 12.571 1.00 3.13 C ATOM 227 C ASP A 15 -2.334 -1.281 12.214 1.00 41.44 C ATOM 228 O ASP A 15 -3.211 -2.093 11.925 1.00 54.41 O ATOM 229 CB ASP A 15 -0.747 -1.749 14.090 1.00 0.25 C ATOM 230 CG ASP A 15 -1.303 -3.004 14.736 1.00 12.40 C ATOM 231 OD1 ASP A 15 -0.716 -4.087 14.530 1.00 52.11 O ATOM 232 OD2 ASP A 15 -2.326 -2.904 15.445 1.00 71.00 O ATOM 0 H ASP A 15 0.735 -0.465 12.600 1.00 74.03 H new ATOM 0 HA ASP A 15 -0.792 -2.758 12.193 1.00 3.13 H new ATOM 0 HB2 ASP A 15 0.313 -1.660 14.328 1.00 0.25 H new ATOM 0 HB3 ASP A 15 -1.243 -0.876 14.514 1.00 0.25 H new ATOM 236 N GLN A 16 -2.542 0.032 12.237 1.00 64.21 N ATOM 237 CA GLN A 16 -3.844 0.605 11.917 1.00 51.02 C ATOM 238 C GLN A 16 -4.234 0.297 10.476 1.00 33.02 C ATOM 239 O GLN A 16 -5.387 -0.025 10.189 1.00 3.35 O ATOM 240 CB GLN A 16 -3.828 2.118 12.142 1.00 14.44 C ATOM 241 CG GLN A 16 -4.299 2.533 13.527 1.00 60.22 C ATOM 242 CD GLN A 16 -5.810 2.563 13.645 1.00 25.34 C ATOM 243 OE1 GLN A 16 -6.478 1.542 13.475 1.00 34.52 O ATOM 244 NE2 GLN A 16 -6.358 3.736 13.939 1.00 71.13 N ATOM 0 H GLN A 16 -1.826 0.718 12.474 1.00 64.21 H new ATOM 0 HA GLN A 16 -4.584 0.155 12.579 1.00 51.02 H new ATOM 0 HB2 GLN A 16 -2.815 2.489 11.985 1.00 14.44 H new ATOM 0 HB3 GLN A 16 -4.462 2.595 11.394 1.00 14.44 H new ATOM 0 HG2 GLN A 16 -3.894 1.842 14.266 1.00 60.22 H new ATOM 0 HG3 GLN A 16 -3.900 3.520 13.762 1.00 60.22 H new ATOM 0 HE21 GLN A 16 -5.767 4.556 14.072 1.00 71.13 H new ATOM 0 HE22 GLN A 16 -7.370 3.817 14.032 1.00 71.13 H new ATOM 251 N ALA A 17 -3.266 0.398 9.571 1.00 43.11 N ATOM 252 CA ALA A 17 -3.508 0.129 8.159 1.00 20.11 C ATOM 253 C ALA A 17 -3.898 -1.329 7.937 1.00 60.20 C ATOM 254 O ALA A 17 -4.791 -1.628 7.144 1.00 14.52 O ATOM 255 CB ALA A 17 -2.278 0.480 7.336 1.00 24.43 C ATOM 0 H ALA A 17 -2.306 0.664 9.791 1.00 43.11 H new ATOM 0 HA ALA A 17 -4.339 0.754 7.833 1.00 20.11 H new ATOM 0 HB1 ALA A 17 -2.473 0.274 6.284 1.00 24.43 H new ATOM 0 HB2 ALA A 17 -2.046 1.538 7.462 1.00 24.43 H new ATOM 0 HB3 ALA A 17 -1.432 -0.120 7.672 1.00 24.43 H new ATOM 261 N ILE A 18 -3.222 -2.230 8.641 1.00 65.50 N ATOM 262 CA ILE A 18 -3.498 -3.656 8.520 1.00 11.24 C ATOM 263 C ILE A 18 -4.897 -3.990 9.027 1.00 40.24 C ATOM 264 O ILE A 18 -5.616 -4.781 8.417 1.00 41.41 O ATOM 265 CB ILE A 18 -2.469 -4.497 9.300 1.00 31.32 C ATOM 266 CG1 ILE A 18 -1.055 -4.211 8.791 1.00 61.43 C ATOM 267 CG2 ILE A 18 -2.792 -5.978 9.176 1.00 55.22 C ATOM 268 CD1 ILE A 18 0.031 -4.630 9.757 1.00 42.41 C ATOM 0 H ILE A 18 -2.480 -1.998 9.301 1.00 65.50 H new ATOM 0 HA ILE A 18 -3.429 -3.902 7.460 1.00 11.24 H new ATOM 0 HB ILE A 18 -2.520 -4.221 10.353 1.00 31.32 H new ATOM 0 HG12 ILE A 18 -0.907 -4.729 7.843 1.00 61.43 H new ATOM 0 HG13 ILE A 18 -0.959 -3.144 8.589 1.00 61.43 H new ATOM 0 HG21 ILE A 18 -2.056 -6.559 9.732 1.00 55.22 H new ATOM 0 HG22 ILE A 18 -3.786 -6.169 9.581 1.00 55.22 H new ATOM 0 HG23 ILE A 18 -2.766 -6.269 8.126 1.00 55.22 H new ATOM 0 HD11 ILE A 18 1.007 -4.397 9.331 1.00 42.41 H new ATOM 0 HD12 ILE A 18 -0.092 -4.093 10.697 1.00 42.41 H new ATOM 0 HD13 ILE A 18 -0.039 -5.702 9.940 1.00 42.41 H new ATOM 279 N ALA A 19 -5.277 -3.379 10.144 1.00 14.44 N ATOM 280 CA ALA A 19 -6.593 -3.608 10.730 1.00 32.12 C ATOM 281 C ALA A 19 -7.696 -3.053 9.837 1.00 71.51 C ATOM 282 O ALA A 19 -8.779 -3.632 9.736 1.00 73.41 O ATOM 283 CB ALA A 19 -6.669 -2.985 12.116 1.00 44.34 C ATOM 0 H ALA A 19 -4.693 -2.722 10.661 1.00 14.44 H new ATOM 0 HA ALA A 19 -6.741 -4.684 10.819 1.00 32.12 H new ATOM 0 HB1 ALA A 19 -7.657 -3.164 12.541 1.00 44.34 H new ATOM 0 HB2 ALA A 19 -5.911 -3.433 12.758 1.00 44.34 H new ATOM 0 HB3 ALA A 19 -6.494 -1.912 12.043 1.00 44.34 H new ATOM 289 N LEU A 20 -7.416 -1.927 9.190 1.00 52.13 N ATOM 290 CA LEU A 20 -8.386 -1.292 8.304 1.00 43.32 C ATOM 291 C LEU A 20 -8.546 -2.087 7.012 1.00 54.40 C ATOM 292 O LEU A 20 -9.623 -2.109 6.414 1.00 32.41 O ATOM 293 CB LEU A 20 -7.953 0.141 7.985 1.00 34.41 C ATOM 294 CG LEU A 20 -9.019 1.221 8.171 1.00 23.33 C ATOM 295 CD1 LEU A 20 -8.390 2.508 8.680 1.00 24.14 C ATOM 296 CD2 LEU A 20 -9.763 1.468 6.866 1.00 64.34 C ATOM 0 H LEU A 20 -6.525 -1.435 9.262 1.00 52.13 H new ATOM 0 HA LEU A 20 -9.348 -1.269 8.816 1.00 43.32 H new ATOM 0 HB2 LEU A 20 -7.099 0.390 8.614 1.00 34.41 H new ATOM 0 HB3 LEU A 20 -7.608 0.173 6.952 1.00 34.41 H new ATOM 0 HG LEU A 20 -9.737 0.872 8.914 1.00 23.33 H new ATOM 0 HD11 LEU A 20 -9.163 3.266 8.807 1.00 24.14 H new ATOM 0 HD12 LEU A 20 -7.904 2.322 9.638 1.00 24.14 H new ATOM 0 HD13 LEU A 20 -7.651 2.861 7.961 1.00 24.14 H new ATOM 0 HD21 LEU A 20 -10.518 2.240 7.018 1.00 64.34 H new ATOM 0 HD22 LEU A 20 -9.058 1.795 6.102 1.00 64.34 H new ATOM 0 HD23 LEU A 20 -10.247 0.546 6.543 1.00 64.34 H new ATOM 307 N LEU A 21 -7.470 -2.740 6.589 1.00 32.12 N ATOM 308 CA LEU A 21 -7.491 -3.540 5.369 1.00 54.41 C ATOM 309 C LEU A 21 -8.207 -4.867 5.599 1.00 15.52 C ATOM 310 O LEU A 21 -8.984 -5.320 4.759 1.00 34.11 O ATOM 311 CB LEU A 21 -6.064 -3.796 4.878 1.00 53.55 C ATOM 312 CG LEU A 21 -5.392 -2.639 4.138 1.00 33.12 C ATOM 313 CD1 LEU A 21 -3.908 -2.915 3.953 1.00 11.34 C ATOM 314 CD2 LEU A 21 -6.064 -2.404 2.794 1.00 53.14 C ATOM 0 H LEU A 21 -6.572 -2.732 7.072 1.00 32.12 H new ATOM 0 HA LEU A 21 -8.036 -2.982 4.608 1.00 54.41 H new ATOM 0 HB2 LEU A 21 -5.447 -4.059 5.737 1.00 53.55 H new ATOM 0 HB3 LEU A 21 -6.078 -4.664 4.218 1.00 53.55 H new ATOM 0 HG LEU A 21 -5.501 -1.736 4.739 1.00 33.12 H new ATOM 0 HD11 LEU A 21 -3.446 -2.081 3.425 1.00 11.34 H new ATOM 0 HD12 LEU A 21 -3.436 -3.033 4.928 1.00 11.34 H new ATOM 0 HD13 LEU A 21 -3.777 -3.829 3.373 1.00 11.34 H new ATOM 0 HD21 LEU A 21 -5.573 -1.577 2.281 1.00 53.14 H new ATOM 0 HD22 LEU A 21 -5.987 -3.305 2.186 1.00 53.14 H new ATOM 0 HD23 LEU A 21 -7.115 -2.161 2.950 1.00 53.14 H new ATOM 325 N LYS A 22 -7.942 -5.485 6.746 1.00 73.44 N ATOM 326 CA LYS A 22 -8.563 -6.758 7.089 1.00 3.31 C ATOM 327 C LYS A 22 -10.039 -6.570 7.429 1.00 63.32 C ATOM 328 O LYS A 22 -10.779 -7.542 7.578 1.00 53.53 O ATOM 329 CB LYS A 22 -7.835 -7.400 8.272 1.00 12.45 C ATOM 330 CG LYS A 22 -8.163 -6.759 9.610 1.00 54.40 C ATOM 331 CD LYS A 22 -7.436 -7.448 10.752 1.00 33.11 C ATOM 332 CE LYS A 22 -7.914 -6.940 12.104 1.00 70.24 C ATOM 333 NZ LYS A 22 -8.777 -7.935 12.797 1.00 14.33 N ATOM 0 H LYS A 22 -7.301 -5.124 7.453 1.00 73.44 H new ATOM 0 HA LYS A 22 -8.489 -7.415 6.223 1.00 3.31 H new ATOM 0 HB2 LYS A 22 -8.091 -8.459 8.314 1.00 12.45 H new ATOM 0 HB3 LYS A 22 -6.760 -7.338 8.103 1.00 12.45 H new ATOM 0 HG2 LYS A 22 -7.888 -5.704 9.586 1.00 54.40 H new ATOM 0 HG3 LYS A 22 -9.238 -6.804 9.782 1.00 54.40 H new ATOM 0 HD2 LYS A 22 -7.595 -8.524 10.689 1.00 33.11 H new ATOM 0 HD3 LYS A 22 -6.363 -7.279 10.657 1.00 33.11 H new ATOM 0 HE2 LYS A 22 -7.052 -6.708 12.730 1.00 70.24 H new ATOM 0 HE3 LYS A 22 -8.468 -6.011 11.968 1.00 70.24 H new ATOM 0 HZ1 LYS A 22 -9.082 -7.551 13.714 1.00 14.33 H new ATOM 0 HZ2 LYS A 22 -9.612 -8.138 12.212 1.00 14.33 H new ATOM 0 HZ3 LYS A 22 -8.241 -8.813 12.950 1.00 14.33 H new ATOM 343 N ASP A 23 -10.458 -5.315 7.547 1.00 71.23 N ATOM 344 CA ASP A 23 -11.845 -5.000 7.866 1.00 53.55 C ATOM 345 C ASP A 23 -12.554 -4.389 6.661 1.00 55.24 C ATOM 346 O ASP A 23 -13.719 -3.999 6.744 1.00 52.23 O ATOM 347 CB ASP A 23 -11.913 -4.040 9.054 1.00 4.11 C ATOM 348 CG ASP A 23 -13.312 -3.926 9.629 1.00 74.52 C ATOM 349 OD1 ASP A 23 -13.952 -4.977 9.842 1.00 41.04 O ATOM 350 OD2 ASP A 23 -13.766 -2.786 9.862 1.00 35.13 O ATOM 0 H ASP A 23 -9.857 -4.500 7.427 1.00 71.23 H new ATOM 0 HA ASP A 23 -12.351 -5.929 8.131 1.00 53.55 H new ATOM 0 HB2 ASP A 23 -11.230 -4.381 9.832 1.00 4.11 H new ATOM 0 HB3 ASP A 23 -11.571 -3.054 8.740 1.00 4.11 H new ATOM 354 N LYS A 24 -11.843 -4.306 5.541 1.00 61.00 N ATOM 355 CA LYS A 24 -12.403 -3.742 4.319 1.00 20.54 C ATOM 356 C LYS A 24 -12.348 -4.754 3.179 1.00 74.25 C ATOM 357 O LYS A 24 -11.771 -5.832 3.320 1.00 21.50 O ATOM 358 CB LYS A 24 -11.644 -2.473 3.925 1.00 60.41 C ATOM 359 CG LYS A 24 -11.988 -1.267 4.782 1.00 22.20 C ATOM 360 CD LYS A 24 -12.892 -0.296 4.042 1.00 30.31 C ATOM 361 CE LYS A 24 -13.705 0.554 5.006 1.00 25.30 C ATOM 362 NZ LYS A 24 -15.039 0.905 4.446 1.00 51.52 N ATOM 0 H LYS A 24 -10.877 -4.623 5.455 1.00 61.00 H new ATOM 0 HA LYS A 24 -13.446 -3.490 4.509 1.00 20.54 H new ATOM 0 HB2 LYS A 24 -10.573 -2.664 3.995 1.00 60.41 H new ATOM 0 HB3 LYS A 24 -11.859 -2.240 2.882 1.00 60.41 H new ATOM 0 HG2 LYS A 24 -12.480 -1.598 5.697 1.00 22.20 H new ATOM 0 HG3 LYS A 24 -11.071 -0.758 5.079 1.00 22.20 H new ATOM 0 HD2 LYS A 24 -12.289 0.351 3.405 1.00 30.31 H new ATOM 0 HD3 LYS A 24 -13.565 -0.850 3.388 1.00 30.31 H new ATOM 0 HE2 LYS A 24 -13.835 0.015 5.944 1.00 25.30 H new ATOM 0 HE3 LYS A 24 -13.156 1.467 5.237 1.00 25.30 H new ATOM 0 HZ1 LYS A 24 -15.562 1.485 5.133 1.00 51.52 H new ATOM 0 HZ2 LYS A 24 -14.915 1.442 3.564 1.00 51.52 H new ATOM 0 HZ3 LYS A 24 -15.573 0.034 4.250 1.00 51.52 H new ATOM 372 N ASP A 25 -12.953 -4.400 2.050 1.00 15.21 N ATOM 373 CA ASP A 25 -12.972 -5.276 0.884 1.00 5.53 C ATOM 374 C ASP A 25 -11.561 -5.498 0.348 1.00 4.33 C ATOM 375 O ASP A 25 -10.652 -4.698 0.574 1.00 2.12 O ATOM 376 CB ASP A 25 -13.859 -4.684 -0.211 1.00 11.33 C ATOM 377 CG ASP A 25 -15.305 -5.122 -0.084 1.00 14.41 C ATOM 378 OD1 ASP A 25 -15.544 -6.331 0.118 1.00 24.12 O ATOM 379 OD2 ASP A 25 -16.199 -4.256 -0.188 1.00 54.23 O ATOM 0 H ASP A 25 -13.437 -3.512 1.918 1.00 15.21 H new ATOM 0 HA ASP A 25 -13.381 -6.239 1.191 1.00 5.53 H new ATOM 0 HB2 ASP A 25 -13.807 -3.596 -0.168 1.00 11.33 H new ATOM 0 HB3 ASP A 25 -13.476 -4.984 -1.187 1.00 11.33 H new ATOM 383 N PRO A 26 -11.370 -6.610 -0.377 1.00 1.31 N ATOM 384 CA PRO A 26 -10.072 -6.963 -0.959 1.00 45.33 C ATOM 385 C PRO A 26 -9.677 -6.033 -2.101 1.00 43.20 C ATOM 386 O PRO A 26 -10.533 -5.498 -2.804 1.00 10.11 O ATOM 387 CB PRO A 26 -10.292 -8.385 -1.480 1.00 14.32 C ATOM 388 CG PRO A 26 -11.758 -8.476 -1.727 1.00 41.44 C ATOM 389 CD PRO A 26 -12.408 -7.607 -0.686 1.00 11.54 C ATOM 0 HA PRO A 26 -9.264 -6.881 -0.232 1.00 45.33 H new ATOM 0 HB2 PRO A 26 -9.725 -8.564 -2.393 1.00 14.32 H new ATOM 0 HB3 PRO A 26 -9.966 -9.128 -0.752 1.00 14.32 H new ATOM 0 HG2 PRO A 26 -12.006 -8.134 -2.732 1.00 41.44 H new ATOM 0 HG3 PRO A 26 -12.104 -9.506 -1.647 1.00 41.44 H new ATOM 0 HD2 PRO A 26 -13.316 -7.138 -1.064 1.00 11.54 H new ATOM 0 HD3 PRO A 26 -12.690 -8.180 0.197 1.00 11.54 H new ATOM 394 N GLY A 27 -8.372 -5.843 -2.279 1.00 54.30 N ATOM 395 CA GLY A 27 -7.887 -4.977 -3.338 1.00 20.25 C ATOM 396 C GLY A 27 -7.667 -3.553 -2.866 1.00 73.34 C ATOM 397 O GLY A 27 -6.979 -2.774 -3.525 1.00 2.41 O ATOM 0 H GLY A 27 -7.643 -6.273 -1.709 1.00 54.30 H new ATOM 0 HA2 GLY A 27 -6.951 -5.376 -3.729 1.00 20.25 H new ATOM 0 HA3 GLY A 27 -8.602 -4.978 -4.160 1.00 20.25 H new ATOM 401 N ALA A 28 -8.255 -3.212 -1.724 1.00 24.51 N ATOM 402 CA ALA A 28 -8.119 -1.873 -1.165 1.00 14.42 C ATOM 403 C ALA A 28 -6.704 -1.634 -0.648 1.00 14.53 C ATOM 404 O ALA A 28 -6.030 -2.564 -0.206 1.00 3.42 O ATOM 405 CB ALA A 28 -9.134 -1.661 -0.051 1.00 41.14 C ATOM 0 H ALA A 28 -8.830 -3.845 -1.168 1.00 24.51 H new ATOM 0 HA ALA A 28 -8.313 -1.153 -1.960 1.00 14.42 H new ATOM 0 HB1 ALA A 28 -9.021 -0.657 0.358 1.00 41.14 H new ATOM 0 HB2 ALA A 28 -10.142 -1.780 -0.449 1.00 41.14 H new ATOM 0 HB3 ALA A 28 -8.967 -2.395 0.738 1.00 41.14 H new ATOM 411 N PHE A 29 -6.262 -0.382 -0.706 1.00 11.34 N ATOM 412 CA PHE A 29 -4.927 -0.022 -0.243 1.00 73.13 C ATOM 413 C PHE A 29 -4.937 1.344 0.436 1.00 64.24 C ATOM 414 O PHE A 29 -5.924 2.078 0.367 1.00 34.50 O ATOM 415 CB PHE A 29 -3.944 -0.013 -1.417 1.00 3.32 C ATOM 416 CG PHE A 29 -4.190 1.098 -2.396 1.00 44.01 C ATOM 417 CD1 PHE A 29 -5.286 1.064 -3.242 1.00 55.51 C ATOM 418 CD2 PHE A 29 -3.323 2.177 -2.473 1.00 12.24 C ATOM 419 CE1 PHE A 29 -5.516 2.085 -4.145 1.00 4.53 C ATOM 420 CE2 PHE A 29 -3.547 3.201 -3.372 1.00 71.30 C ATOM 421 CZ PHE A 29 -4.645 3.155 -4.211 1.00 21.23 C ATOM 0 H PHE A 29 -6.808 0.399 -1.069 1.00 11.34 H new ATOM 0 HA PHE A 29 -4.608 -0.768 0.485 1.00 73.13 H new ATOM 0 HB2 PHE A 29 -2.929 0.073 -1.030 1.00 3.32 H new ATOM 0 HB3 PHE A 29 -4.006 -0.967 -1.940 1.00 3.32 H new ATOM 0 HD1 PHE A 29 -5.970 0.229 -3.196 1.00 55.51 H new ATOM 0 HD2 PHE A 29 -2.462 2.217 -1.822 1.00 12.24 H new ATOM 0 HE1 PHE A 29 -6.375 2.046 -4.798 1.00 4.53 H new ATOM 0 HE2 PHE A 29 -2.865 4.037 -3.420 1.00 71.30 H new ATOM 0 HZ PHE A 29 -4.821 3.954 -4.916 1.00 21.23 H new ATOM 430 N LEU A 30 -3.833 1.679 1.094 1.00 25.14 N ATOM 431 CA LEU A 30 -3.712 2.956 1.788 1.00 70.23 C ATOM 432 C LEU A 30 -2.249 3.361 1.934 1.00 24.01 C ATOM 433 O LEU A 30 -1.355 2.516 1.901 1.00 24.15 O ATOM 434 CB LEU A 30 -4.371 2.874 3.166 1.00 2.42 C ATOM 435 CG LEU A 30 -3.565 2.161 4.253 1.00 12.45 C ATOM 436 CD1 LEU A 30 -2.688 3.150 5.003 1.00 44.41 C ATOM 437 CD2 LEU A 30 -4.494 1.434 5.215 1.00 72.22 C ATOM 0 H LEU A 30 -3.008 1.083 1.162 1.00 25.14 H new ATOM 0 HA LEU A 30 -4.221 3.714 1.193 1.00 70.23 H new ATOM 0 HB2 LEU A 30 -4.585 3.887 3.506 1.00 2.42 H new ATOM 0 HB3 LEU A 30 -5.329 2.365 3.059 1.00 2.42 H new ATOM 0 HG LEU A 30 -2.919 1.424 3.775 1.00 12.45 H new ATOM 0 HD11 LEU A 30 -2.122 2.624 5.772 1.00 44.41 H new ATOM 0 HD12 LEU A 30 -1.998 3.625 4.306 1.00 44.41 H new ATOM 0 HD13 LEU A 30 -3.314 3.911 5.469 1.00 44.41 H new ATOM 0 HD21 LEU A 30 -3.904 0.932 5.982 1.00 72.22 H new ATOM 0 HD22 LEU A 30 -5.165 2.153 5.686 1.00 72.22 H new ATOM 0 HD23 LEU A 30 -5.080 0.696 4.667 1.00 72.22 H new ATOM 448 N ILE A 31 -2.013 4.659 2.098 1.00 54.32 N ATOM 449 CA ILE A 31 -0.659 5.175 2.252 1.00 31.14 C ATOM 450 C ILE A 31 -0.462 5.797 3.631 1.00 34.11 C ATOM 451 O ILE A 31 -1.349 6.472 4.151 1.00 53.54 O ATOM 452 CB ILE A 31 -0.331 6.226 1.176 1.00 21.32 C ATOM 453 CG1 ILE A 31 -0.484 5.622 -0.222 1.00 52.51 C ATOM 454 CG2 ILE A 31 1.078 6.764 1.373 1.00 60.13 C ATOM 455 CD1 ILE A 31 -1.339 6.457 -1.150 1.00 65.30 C ATOM 0 H ILE A 31 -2.742 5.372 2.128 1.00 54.32 H new ATOM 0 HA ILE A 31 0.017 4.327 2.138 1.00 31.14 H new ATOM 0 HB ILE A 31 -1.033 7.054 1.273 1.00 21.32 H new ATOM 0 HG12 ILE A 31 0.504 5.497 -0.665 1.00 52.51 H new ATOM 0 HG13 ILE A 31 -0.922 4.628 -0.134 1.00 52.51 H new ATOM 0 HG21 ILE A 31 1.295 7.506 0.605 1.00 60.13 H new ATOM 0 HG22 ILE A 31 1.157 7.227 2.357 1.00 60.13 H new ATOM 0 HG23 ILE A 31 1.794 5.945 1.299 1.00 60.13 H new ATOM 0 HD11 ILE A 31 -1.404 5.969 -2.122 1.00 65.30 H new ATOM 0 HD12 ILE A 31 -2.339 6.561 -0.729 1.00 65.30 H new ATOM 0 HD13 ILE A 31 -0.891 7.444 -1.268 1.00 65.30 H new ATOM 466 N ARG A 32 0.709 5.565 4.217 1.00 75.35 N ATOM 467 CA ARG A 32 1.023 6.103 5.534 1.00 25.53 C ATOM 468 C ARG A 32 2.452 6.638 5.576 1.00 14.43 C ATOM 469 O ARG A 32 3.265 6.333 4.704 1.00 42.11 O ATOM 470 CB ARG A 32 0.839 5.026 6.605 1.00 40.13 C ATOM 471 CG ARG A 32 1.612 3.749 6.324 1.00 22.45 C ATOM 472 CD ARG A 32 2.742 3.549 7.323 1.00 53.52 C ATOM 473 NE ARG A 32 3.764 2.638 6.819 1.00 31.30 N ATOM 474 CZ ARG A 32 3.576 1.331 6.672 1.00 65.24 C ATOM 475 NH1 ARG A 32 2.410 0.785 6.989 1.00 64.15 N ATOM 476 NH2 ARG A 32 4.556 0.567 6.207 1.00 64.25 N ATOM 0 H ARG A 32 1.455 5.008 3.800 1.00 75.35 H new ATOM 0 HA ARG A 32 0.338 6.927 5.735 1.00 25.53 H new ATOM 0 HB2 ARG A 32 1.154 5.427 7.569 1.00 40.13 H new ATOM 0 HB3 ARG A 32 -0.221 4.788 6.690 1.00 40.13 H new ATOM 0 HG2 ARG A 32 0.934 2.896 6.364 1.00 22.45 H new ATOM 0 HG3 ARG A 32 2.020 3.784 5.314 1.00 22.45 H new ATOM 0 HD2 ARG A 32 3.197 4.512 7.553 1.00 53.52 H new ATOM 0 HD3 ARG A 32 2.336 3.158 8.256 1.00 53.52 H new ATOM 0 HE ARG A 32 4.673 3.026 6.566 1.00 31.30 H new ATOM 0 HH11 ARG A 32 1.654 1.369 7.347 1.00 64.15 H new ATOM 0 HH12 ARG A 32 2.269 -0.219 6.875 1.00 64.15 H new ATOM 0 HH21 ARG A 32 5.455 0.983 5.962 1.00 64.25 H new ATOM 0 HH22 ARG A 32 4.411 -0.436 6.094 1.00 64.25 H new ATOM 487 N ASP A 33 2.749 7.436 6.595 1.00 45.51 N ATOM 488 CA ASP A 33 4.079 8.014 6.752 1.00 53.51 C ATOM 489 C ASP A 33 5.114 6.928 7.025 1.00 33.45 C ATOM 490 O ASP A 33 5.023 6.205 8.017 1.00 54.21 O ATOM 491 CB ASP A 33 4.084 9.038 7.889 1.00 73.22 C ATOM 492 CG ASP A 33 5.297 9.945 7.845 1.00 40.42 C ATOM 493 OD1 ASP A 33 5.347 10.829 6.965 1.00 52.23 O ATOM 494 OD2 ASP A 33 6.198 9.771 8.693 1.00 1.50 O ATOM 0 H ASP A 33 2.087 7.698 7.325 1.00 45.51 H new ATOM 0 HA ASP A 33 4.342 8.516 5.821 1.00 53.51 H new ATOM 0 HB2 ASP A 33 3.179 9.643 7.833 1.00 73.22 H new ATOM 0 HB3 ASP A 33 4.059 8.515 8.845 1.00 73.22 H new ATOM 498 N SER A 34 6.098 6.818 6.138 1.00 73.34 N ATOM 499 CA SER A 34 7.147 5.816 6.280 1.00 31.41 C ATOM 500 C SER A 34 8.222 6.291 7.252 1.00 2.22 C ATOM 501 O SER A 34 9.089 7.090 6.897 1.00 61.01 O ATOM 502 CB SER A 34 7.775 5.507 4.919 1.00 70.11 C ATOM 503 OG SER A 34 8.483 4.280 4.951 1.00 63.10 O ATOM 0 H SER A 34 6.190 7.411 5.313 1.00 73.34 H new ATOM 0 HA SER A 34 6.696 4.907 6.678 1.00 31.41 H new ATOM 0 HB2 SER A 34 6.996 5.461 4.158 1.00 70.11 H new ATOM 0 HB3 SER A 34 8.451 6.313 4.635 1.00 70.11 H new ATOM 0 HG SER A 34 8.873 4.104 4.069 1.00 63.10 H new ATOM 508 N HIS A 35 8.160 5.792 8.483 1.00 15.24 N ATOM 509 CA HIS A 35 9.128 6.164 9.509 1.00 34.25 C ATOM 510 C HIS A 35 10.506 5.594 9.187 1.00 31.02 C ATOM 511 O HIS A 35 11.503 5.971 9.803 1.00 21.34 O ATOM 512 CB HIS A 35 8.666 5.668 10.879 1.00 3.40 C ATOM 513 CG HIS A 35 8.226 6.768 11.797 1.00 12.03 C ATOM 514 ND1 HIS A 35 8.991 7.220 12.851 1.00 61.40 N ATOM 515 CD2 HIS A 35 7.092 7.507 11.813 1.00 14.13 C ATOM 516 CE1 HIS A 35 8.347 8.189 13.475 1.00 2.02 C ATOM 517 NE2 HIS A 35 7.192 8.383 12.865 1.00 11.33 N ATOM 0 H HIS A 35 7.450 5.129 8.794 1.00 15.24 H new ATOM 0 HA HIS A 35 9.199 7.251 9.530 1.00 34.25 H new ATOM 0 HB2 HIS A 35 7.842 4.967 10.744 1.00 3.40 H new ATOM 0 HB3 HIS A 35 9.480 5.116 11.350 1.00 3.40 H new ATOM 0 HD2 HIS A 35 6.263 7.423 11.126 1.00 14.13 H new ATOM 0 HE1 HIS A 35 8.704 8.731 14.338 1.00 2.02 H new ATOM 0 HE2 HIS A 35 6.489 9.072 13.132 1.00 11.33 H new ATOM 524 N SER A 36 10.554 4.684 8.219 1.00 5.44 N ATOM 525 CA SER A 36 11.810 4.060 7.819 1.00 70.12 C ATOM 526 C SER A 36 12.868 5.115 7.514 1.00 34.33 C ATOM 527 O SER A 36 13.794 5.326 8.297 1.00 42.44 O ATOM 528 CB SER A 36 11.593 3.169 6.594 1.00 50.40 C ATOM 529 OG SER A 36 10.958 1.954 6.953 1.00 61.40 O ATOM 0 H SER A 36 9.738 4.363 7.698 1.00 5.44 H new ATOM 0 HA SER A 36 12.163 3.447 8.648 1.00 70.12 H new ATOM 0 HB2 SER A 36 10.985 3.697 5.859 1.00 50.40 H new ATOM 0 HB3 SER A 36 12.552 2.956 6.121 1.00 50.40 H new ATOM 0 HG SER A 36 10.829 1.403 6.153 1.00 61.40 H new ATOM 534 N PHE A 37 12.724 5.774 6.369 1.00 65.33 N ATOM 535 CA PHE A 37 13.669 6.808 5.958 1.00 13.14 C ATOM 536 C PHE A 37 12.941 7.984 5.314 1.00 32.13 C ATOM 537 O PHE A 37 11.808 7.849 4.853 1.00 35.42 O ATOM 538 CB PHE A 37 14.695 6.231 4.980 1.00 14.11 C ATOM 539 CG PHE A 37 16.034 5.967 5.604 1.00 23.41 C ATOM 540 CD1 PHE A 37 16.722 6.979 6.255 1.00 12.23 C ATOM 541 CD2 PHE A 37 16.608 4.708 5.541 1.00 34.42 C ATOM 542 CE1 PHE A 37 17.956 6.739 6.830 1.00 53.42 C ATOM 543 CE2 PHE A 37 17.841 4.461 6.114 1.00 60.42 C ATOM 544 CZ PHE A 37 18.516 5.478 6.760 1.00 73.14 C ATOM 0 H PHE A 37 11.963 5.611 5.709 1.00 65.33 H new ATOM 0 HA PHE A 37 14.187 7.167 6.847 1.00 13.14 H new ATOM 0 HB2 PHE A 37 14.307 5.301 4.565 1.00 14.11 H new ATOM 0 HB3 PHE A 37 14.821 6.923 4.148 1.00 14.11 H new ATOM 0 HD1 PHE A 37 16.289 7.967 6.314 1.00 12.23 H new ATOM 0 HD2 PHE A 37 16.085 3.909 5.037 1.00 34.42 H new ATOM 0 HE1 PHE A 37 18.482 7.537 7.334 1.00 53.42 H new ATOM 0 HE2 PHE A 37 18.276 3.474 6.057 1.00 60.42 H new ATOM 0 HZ PHE A 37 19.479 5.288 7.209 1.00 73.14 H new ATOM 553 N GLN A 38 13.600 9.138 5.288 1.00 22.23 N ATOM 554 CA GLN A 38 13.016 10.338 4.702 1.00 54.20 C ATOM 555 C GLN A 38 12.715 10.130 3.221 1.00 63.24 C ATOM 556 O GLN A 38 13.444 9.427 2.522 1.00 23.20 O ATOM 557 CB GLN A 38 13.958 11.529 4.881 1.00 42.35 C ATOM 558 CG GLN A 38 14.260 11.853 6.335 1.00 21.01 C ATOM 559 CD GLN A 38 15.021 13.154 6.498 1.00 12.44 C ATOM 560 OE1 GLN A 38 14.547 14.087 7.146 1.00 42.23 O ATOM 561 NE2 GLN A 38 16.209 13.223 5.909 1.00 34.51 N ATOM 0 H GLN A 38 14.539 9.267 5.666 1.00 22.23 H new ATOM 0 HA GLN A 38 12.079 10.545 5.219 1.00 54.20 H new ATOM 0 HB2 GLN A 38 14.894 11.323 4.362 1.00 42.35 H new ATOM 0 HB3 GLN A 38 13.516 12.405 4.406 1.00 42.35 H new ATOM 0 HG2 GLN A 38 13.325 11.912 6.892 1.00 21.01 H new ATOM 0 HG3 GLN A 38 14.840 11.040 6.771 1.00 21.01 H new ATOM 0 HE21 GLN A 38 16.564 12.425 5.381 1.00 34.51 H new ATOM 0 HE22 GLN A 38 16.767 14.074 5.984 1.00 34.51 H new ATOM 568 N GLY A 39 11.636 10.747 2.748 1.00 23.22 N ATOM 569 CA GLY A 39 11.259 10.617 1.353 1.00 0.24 C ATOM 570 C GLY A 39 10.729 9.236 1.022 1.00 5.24 C ATOM 571 O GLY A 39 10.878 8.759 -0.102 1.00 1.15 O ATOM 0 H GLY A 39 11.017 11.334 3.306 1.00 23.22 H new ATOM 0 HA2 GLY A 39 10.499 11.361 1.114 1.00 0.24 H new ATOM 0 HA3 GLY A 39 12.124 10.831 0.725 1.00 0.24 H new ATOM 575 N ALA A 40 10.109 8.590 2.006 1.00 64.31 N ATOM 576 CA ALA A 40 9.555 7.256 1.814 1.00 53.10 C ATOM 577 C ALA A 40 8.100 7.195 2.267 1.00 60.03 C ATOM 578 O ALA A 40 7.699 7.900 3.193 1.00 32.13 O ATOM 579 CB ALA A 40 10.387 6.226 2.563 1.00 30.31 C ATOM 0 H ALA A 40 9.978 8.970 2.944 1.00 64.31 H new ATOM 0 HA ALA A 40 9.586 7.027 0.749 1.00 53.10 H new ATOM 0 HB1 ALA A 40 9.962 5.234 2.411 1.00 30.31 H new ATOM 0 HB2 ALA A 40 11.411 6.243 2.189 1.00 30.31 H new ATOM 0 HB3 ALA A 40 10.386 6.462 3.627 1.00 30.31 H new ATOM 585 N TYR A 41 7.316 6.350 1.608 1.00 10.11 N ATOM 586 CA TYR A 41 5.904 6.200 1.942 1.00 71.10 C ATOM 587 C TYR A 41 5.528 4.726 2.066 1.00 51.55 C ATOM 588 O TYR A 41 5.863 3.913 1.206 1.00 50.40 O ATOM 589 CB TYR A 41 5.033 6.873 0.880 1.00 34.22 C ATOM 590 CG TYR A 41 4.781 8.340 1.144 1.00 13.31 C ATOM 591 CD1 TYR A 41 4.048 8.751 2.250 1.00 31.54 C ATOM 592 CD2 TYR A 41 5.276 9.315 0.287 1.00 61.52 C ATOM 593 CE1 TYR A 41 3.814 10.090 2.494 1.00 62.12 C ATOM 594 CE2 TYR A 41 5.049 10.657 0.524 1.00 4.45 C ATOM 595 CZ TYR A 41 4.318 11.039 1.629 1.00 13.21 C ATOM 596 OH TYR A 41 4.088 12.375 1.870 1.00 33.30 O ATOM 0 H TYR A 41 7.633 5.759 0.840 1.00 10.11 H new ATOM 0 HA TYR A 41 5.730 6.683 2.904 1.00 71.10 H new ATOM 0 HB2 TYR A 41 5.512 6.765 -0.093 1.00 34.22 H new ATOM 0 HB3 TYR A 41 4.077 6.353 0.824 1.00 34.22 H new ATOM 0 HD1 TYR A 41 3.654 8.011 2.931 1.00 31.54 H new ATOM 0 HD2 TYR A 41 5.848 9.019 -0.580 1.00 61.52 H new ATOM 0 HE1 TYR A 41 3.240 10.392 3.357 1.00 62.12 H new ATOM 0 HE2 TYR A 41 5.442 11.402 -0.152 1.00 4.45 H new ATOM 0 HH TYR A 41 3.727 12.487 2.774 1.00 33.30 H new ATOM 605 N GLY A 42 4.827 4.390 3.145 1.00 73.43 N ATOM 606 CA GLY A 42 4.415 3.016 3.364 1.00 55.12 C ATOM 607 C GLY A 42 3.099 2.690 2.686 1.00 50.44 C ATOM 608 O GLY A 42 2.050 3.213 3.066 1.00 60.13 O ATOM 0 H GLY A 42 4.537 5.045 3.871 1.00 73.43 H new ATOM 0 HA2 GLY A 42 5.188 2.344 2.991 1.00 55.12 H new ATOM 0 HA3 GLY A 42 4.323 2.834 4.435 1.00 55.12 H new ATOM 612 N LEU A 43 3.151 1.826 1.678 1.00 21.34 N ATOM 613 CA LEU A 43 1.954 1.432 0.945 1.00 63.11 C ATOM 614 C LEU A 43 1.477 0.050 1.381 1.00 44.15 C ATOM 615 O LEU A 43 2.236 -0.917 1.349 1.00 62.10 O ATOM 616 CB LEU A 43 2.229 1.438 -0.560 1.00 32.13 C ATOM 617 CG LEU A 43 1.094 0.931 -1.451 1.00 61.45 C ATOM 618 CD1 LEU A 43 0.123 2.057 -1.770 1.00 51.42 C ATOM 619 CD2 LEU A 43 1.652 0.328 -2.733 1.00 64.55 C ATOM 0 H LEU A 43 4.010 1.385 1.350 1.00 21.34 H new ATOM 0 HA LEU A 43 1.168 2.154 1.168 1.00 63.11 H new ATOM 0 HB2 LEU A 43 2.473 2.457 -0.861 1.00 32.13 H new ATOM 0 HB3 LEU A 43 3.113 0.829 -0.750 1.00 32.13 H new ATOM 0 HG LEU A 43 0.553 0.153 -0.911 1.00 61.45 H new ATOM 0 HD11 LEU A 43 -0.678 1.678 -2.405 1.00 51.42 H new ATOM 0 HD12 LEU A 43 -0.301 2.445 -0.844 1.00 51.42 H new ATOM 0 HD13 LEU A 43 0.651 2.856 -2.290 1.00 51.42 H new ATOM 0 HD21 LEU A 43 0.831 -0.028 -3.355 1.00 64.55 H new ATOM 0 HD22 LEU A 43 2.217 1.086 -3.276 1.00 64.55 H new ATOM 0 HD23 LEU A 43 2.309 -0.507 -2.487 1.00 64.55 H new ATOM 630 N ALA A 44 0.214 -0.033 1.786 1.00 74.23 N ATOM 631 CA ALA A 44 -0.365 -1.297 2.224 1.00 13.14 C ATOM 632 C ALA A 44 -1.534 -1.703 1.334 1.00 54.25 C ATOM 633 O ALA A 44 -2.369 -0.873 0.972 1.00 35.53 O ATOM 634 CB ALA A 44 -0.813 -1.197 3.675 1.00 62.41 C ATOM 0 H ALA A 44 -0.427 0.759 1.820 1.00 74.23 H new ATOM 0 HA ALA A 44 0.402 -2.067 2.144 1.00 13.14 H new ATOM 0 HB1 ALA A 44 -1.243 -2.148 3.989 1.00 62.41 H new ATOM 0 HB2 ALA A 44 0.045 -0.961 4.305 1.00 62.41 H new ATOM 0 HB3 ALA A 44 -1.561 -0.410 3.771 1.00 62.41 H new ATOM 640 N LEU A 45 -1.589 -2.983 0.984 1.00 33.14 N ATOM 641 CA LEU A 45 -2.657 -3.499 0.135 1.00 33.54 C ATOM 642 C LEU A 45 -3.194 -4.819 0.679 1.00 12.32 C ATOM 643 O LEU A 45 -2.443 -5.639 1.206 1.00 33.43 O ATOM 644 CB LEU A 45 -2.149 -3.693 -1.295 1.00 13.04 C ATOM 645 CG LEU A 45 -2.985 -4.615 -2.185 1.00 64.42 C ATOM 646 CD1 LEU A 45 -4.394 -4.067 -2.347 1.00 23.02 C ATOM 647 CD2 LEU A 45 -2.321 -4.791 -3.542 1.00 24.44 C ATOM 0 H LEU A 45 -0.906 -3.683 1.275 1.00 33.14 H new ATOM 0 HA LEU A 45 -3.469 -2.771 0.130 1.00 33.54 H new ATOM 0 HB2 LEU A 45 -2.089 -2.716 -1.774 1.00 13.04 H new ATOM 0 HB3 LEU A 45 -1.134 -4.088 -1.248 1.00 13.04 H new ATOM 0 HG LEU A 45 -3.050 -5.591 -1.704 1.00 64.42 H new ATOM 0 HD11 LEU A 45 -4.974 -4.736 -2.983 1.00 23.02 H new ATOM 0 HD12 LEU A 45 -4.870 -3.993 -1.369 1.00 23.02 H new ATOM 0 HD13 LEU A 45 -4.350 -3.079 -2.805 1.00 23.02 H new ATOM 0 HD21 LEU A 45 -2.929 -5.450 -4.162 1.00 24.44 H new ATOM 0 HD22 LEU A 45 -2.225 -3.820 -4.029 1.00 24.44 H new ATOM 0 HD23 LEU A 45 -1.332 -5.229 -3.409 1.00 24.44 H new ATOM 658 N LYS A 46 -4.501 -5.019 0.545 1.00 11.02 N ATOM 659 CA LYS A 46 -5.142 -6.241 1.020 1.00 71.44 C ATOM 660 C LYS A 46 -5.382 -7.211 -0.132 1.00 34.24 C ATOM 661 O LYS A 46 -5.819 -6.813 -1.212 1.00 2.01 O ATOM 662 CB LYS A 46 -6.468 -5.911 1.709 1.00 3.13 C ATOM 663 CG LYS A 46 -6.917 -6.971 2.700 1.00 53.42 C ATOM 664 CD LYS A 46 -7.474 -8.196 1.992 1.00 23.22 C ATOM 665 CE LYS A 46 -8.880 -8.525 2.468 1.00 44.35 C ATOM 666 NZ LYS A 46 -9.113 -9.993 2.540 1.00 65.11 N ATOM 0 H LYS A 46 -5.138 -4.351 0.111 1.00 11.02 H new ATOM 0 HA LYS A 46 -4.475 -6.717 1.739 1.00 71.44 H new ATOM 0 HB2 LYS A 46 -6.371 -4.958 2.228 1.00 3.13 H new ATOM 0 HB3 LYS A 46 -7.240 -5.784 0.951 1.00 3.13 H new ATOM 0 HG2 LYS A 46 -6.075 -7.264 3.328 1.00 53.42 H new ATOM 0 HG3 LYS A 46 -7.677 -6.554 3.361 1.00 53.42 H new ATOM 0 HD2 LYS A 46 -7.485 -8.022 0.916 1.00 23.22 H new ATOM 0 HD3 LYS A 46 -6.820 -9.049 2.170 1.00 23.22 H new ATOM 0 HE2 LYS A 46 -9.043 -8.083 3.451 1.00 44.35 H new ATOM 0 HE3 LYS A 46 -9.607 -8.075 1.792 1.00 44.35 H new ATOM 0 HZ1 LYS A 46 -10.088 -10.204 2.247 1.00 65.11 H new ATOM 0 HZ2 LYS A 46 -8.448 -10.482 1.907 1.00 65.11 H new ATOM 0 HZ3 LYS A 46 -8.966 -10.320 3.516 1.00 65.11 H new ATOM 676 N VAL A 47 -5.096 -8.488 0.106 1.00 60.32 N ATOM 677 CA VAL A 47 -5.284 -9.516 -0.911 1.00 45.55 C ATOM 678 C VAL A 47 -6.522 -10.357 -0.619 1.00 63.32 C ATOM 679 O VAL A 47 -6.838 -10.632 0.537 1.00 13.45 O ATOM 680 CB VAL A 47 -4.058 -10.442 -1.007 1.00 2.43 C ATOM 681 CG1 VAL A 47 -2.800 -9.636 -1.294 1.00 3.31 C ATOM 682 CG2 VAL A 47 -3.902 -11.252 0.272 1.00 2.20 C ATOM 0 H VAL A 47 -4.733 -8.835 0.994 1.00 60.32 H new ATOM 0 HA VAL A 47 -5.415 -9.000 -1.862 1.00 45.55 H new ATOM 0 HB VAL A 47 -4.212 -11.136 -1.834 1.00 2.43 H new ATOM 0 HG11 VAL A 47 -1.944 -10.308 -1.358 1.00 3.31 H new ATOM 0 HG12 VAL A 47 -2.916 -9.105 -2.239 1.00 3.31 H new ATOM 0 HG13 VAL A 47 -2.637 -8.917 -0.491 1.00 3.31 H new ATOM 0 HG21 VAL A 47 -3.031 -11.901 0.187 1.00 2.20 H new ATOM 0 HG22 VAL A 47 -3.770 -10.576 1.117 1.00 2.20 H new ATOM 0 HG23 VAL A 47 -4.793 -11.859 0.429 1.00 2.20 H new ATOM 692 N ALA A 48 -7.217 -10.762 -1.677 1.00 52.31 N ATOM 693 CA ALA A 48 -8.419 -11.576 -1.535 1.00 44.54 C ATOM 694 C ALA A 48 -8.083 -13.062 -1.559 1.00 73.44 C ATOM 695 O ALA A 48 -8.836 -13.890 -1.045 1.00 51.44 O ATOM 696 CB ALA A 48 -9.416 -11.239 -2.633 1.00 53.33 C ATOM 0 H ALA A 48 -6.969 -10.540 -2.641 1.00 52.31 H new ATOM 0 HA ALA A 48 -8.869 -11.350 -0.569 1.00 44.54 H new ATOM 0 HB1 ALA A 48 -10.308 -11.854 -2.515 1.00 53.33 H new ATOM 0 HB2 ALA A 48 -9.689 -10.186 -2.566 1.00 53.33 H new ATOM 0 HB3 ALA A 48 -8.966 -11.436 -3.606 1.00 53.33 H new ATOM 909 N LEU A 65 -2.647 -11.943 4.666 1.00 71.51 N ATOM 910 CA LEU A 65 -3.388 -11.403 3.531 1.00 1.23 C ATOM 911 C LEU A 65 -3.158 -9.901 3.396 1.00 31.12 C ATOM 912 O LEU A 65 -3.949 -9.196 2.769 1.00 43.21 O ATOM 913 CB LEU A 65 -4.883 -11.690 3.689 1.00 5.22 C ATOM 914 CG LEU A 65 -5.273 -13.162 3.826 1.00 2.55 C ATOM 915 CD1 LEU A 65 -6.644 -13.293 4.470 1.00 4.30 C ATOM 916 CD2 LEU A 65 -5.253 -13.847 2.468 1.00 21.22 C ATOM 0 HA LEU A 65 -3.025 -11.890 2.626 1.00 1.23 H new ATOM 0 HB2 LEU A 65 -5.244 -11.156 4.568 1.00 5.22 H new ATOM 0 HB3 LEU A 65 -5.405 -11.275 2.827 1.00 5.22 H new ATOM 0 HG LEU A 65 -4.543 -13.653 4.470 1.00 2.55 H new ATOM 0 HD11 LEU A 65 -6.905 -14.348 4.559 1.00 4.30 H new ATOM 0 HD12 LEU A 65 -6.626 -12.839 5.461 1.00 4.30 H new ATOM 0 HD13 LEU A 65 -7.386 -12.787 3.852 1.00 4.30 H new ATOM 0 HD21 LEU A 65 -5.533 -14.894 2.584 1.00 21.22 H new ATOM 0 HD22 LEU A 65 -5.961 -13.354 1.801 1.00 21.22 H new ATOM 0 HD23 LEU A 65 -4.251 -13.785 2.044 1.00 21.22 H new ATOM 927 N VAL A 66 -2.068 -9.420 3.986 1.00 54.51 N ATOM 928 CA VAL A 66 -1.732 -8.002 3.928 1.00 40.31 C ATOM 929 C VAL A 66 -0.289 -7.798 3.482 1.00 0.30 C ATOM 930 O VAL A 66 0.645 -8.262 4.135 1.00 11.13 O ATOM 931 CB VAL A 66 -1.937 -7.321 5.295 1.00 70.21 C ATOM 932 CG1 VAL A 66 -1.589 -5.842 5.212 1.00 12.01 C ATOM 933 CG2 VAL A 66 -3.367 -7.514 5.777 1.00 74.21 C ATOM 0 H VAL A 66 -1.403 -9.990 4.509 1.00 54.51 H new ATOM 0 HA VAL A 66 -2.402 -7.546 3.199 1.00 40.31 H new ATOM 0 HB VAL A 66 -1.268 -7.788 6.018 1.00 70.21 H new ATOM 0 HG11 VAL A 66 -1.740 -5.377 6.186 1.00 12.01 H new ATOM 0 HG12 VAL A 66 -0.547 -5.730 4.914 1.00 12.01 H new ATOM 0 HG13 VAL A 66 -2.231 -5.358 4.476 1.00 12.01 H new ATOM 0 HG21 VAL A 66 -3.494 -7.027 6.744 1.00 74.21 H new ATOM 0 HG22 VAL A 66 -4.056 -7.075 5.056 1.00 74.21 H new ATOM 0 HG23 VAL A 66 -3.577 -8.579 5.877 1.00 74.21 H new ATOM 943 N ARG A 67 -0.114 -7.099 2.365 1.00 2.54 N ATOM 944 CA ARG A 67 1.216 -6.833 1.831 1.00 54.01 C ATOM 945 C ARG A 67 1.577 -5.358 1.981 1.00 73.02 C ATOM 946 O ARG A 67 0.934 -4.487 1.393 1.00 74.21 O ATOM 947 CB ARG A 67 1.288 -7.240 0.358 1.00 12.23 C ATOM 948 CG ARG A 67 2.398 -8.233 0.053 1.00 4.44 C ATOM 949 CD ARG A 67 2.158 -8.950 -1.265 1.00 34.30 C ATOM 950 NE ARG A 67 2.003 -10.391 -1.085 1.00 71.02 N ATOM 951 CZ ARG A 67 3.011 -11.208 -0.801 1.00 33.34 C ATOM 952 NH1 ARG A 67 4.239 -10.729 -0.665 1.00 62.02 N ATOM 953 NH2 ARG A 67 2.791 -12.508 -0.651 1.00 55.33 N ATOM 0 H ARG A 67 -0.877 -6.707 1.813 1.00 2.54 H new ATOM 0 HA ARG A 67 1.934 -7.424 2.400 1.00 54.01 H new ATOM 0 HB2 ARG A 67 0.333 -7.674 0.063 1.00 12.23 H new ATOM 0 HB3 ARG A 67 1.434 -6.347 -0.250 1.00 12.23 H new ATOM 0 HG2 ARG A 67 3.354 -7.711 0.015 1.00 4.44 H new ATOM 0 HG3 ARG A 67 2.465 -8.964 0.859 1.00 4.44 H new ATOM 0 HD2 ARG A 67 1.264 -8.546 -1.740 1.00 34.30 H new ATOM 0 HD3 ARG A 67 2.992 -8.757 -1.940 1.00 34.30 H new ATOM 0 HE ARG A 67 1.070 -10.792 -1.183 1.00 71.02 H new ATOM 0 HH11 ARG A 67 4.412 -9.730 -0.778 1.00 62.02 H new ATOM 0 HH12 ARG A 67 5.011 -11.359 -0.447 1.00 62.02 H new ATOM 0 HH21 ARG A 67 1.847 -12.881 -0.754 1.00 55.33 H new ATOM 0 HH22 ARG A 67 3.566 -13.135 -0.433 1.00 55.33 H new ATOM 964 N HIS A 68 2.610 -5.084 2.771 1.00 23.11 N ATOM 965 CA HIS A 68 3.057 -3.714 2.998 1.00 71.21 C ATOM 966 C HIS A 68 4.493 -3.525 2.517 1.00 53.43 C ATOM 967 O HIS A 68 5.396 -4.253 2.926 1.00 23.35 O ATOM 968 CB HIS A 68 2.952 -3.361 4.482 1.00 43.22 C ATOM 969 CG HIS A 68 3.598 -4.366 5.384 1.00 24.42 C ATOM 970 ND1 HIS A 68 3.010 -5.568 5.715 1.00 2.21 N ATOM 971 CD2 HIS A 68 4.792 -4.344 6.025 1.00 53.54 C ATOM 972 CE1 HIS A 68 3.812 -6.241 6.521 1.00 1.31 C ATOM 973 NE2 HIS A 68 4.899 -5.520 6.724 1.00 25.13 N ATOM 0 H HIS A 68 3.153 -5.792 3.265 1.00 23.11 H new ATOM 0 HA HIS A 68 2.411 -3.047 2.427 1.00 71.21 H new ATOM 0 HB2 HIS A 68 3.412 -2.387 4.649 1.00 43.22 H new ATOM 0 HB3 HIS A 68 1.900 -3.267 4.751 1.00 43.22 H new ATOM 0 HD2 HIS A 68 5.523 -3.549 5.992 1.00 53.54 H new ATOM 0 HE1 HIS A 68 3.612 -7.215 6.942 1.00 1.31 H new ATOM 0 HE2 HIS A 68 5.691 -5.793 7.306 1.00 25.13 H new ATOM 980 N PHE A 69 4.695 -2.541 1.646 1.00 53.10 N ATOM 981 CA PHE A 69 6.020 -2.257 1.107 1.00 2.32 C ATOM 982 C PHE A 69 6.341 -0.769 1.210 1.00 44.52 C ATOM 983 O PHE A 69 5.448 0.078 1.135 1.00 23.45 O ATOM 984 CB PHE A 69 6.109 -2.710 -0.351 1.00 62.23 C ATOM 985 CG PHE A 69 7.107 -3.809 -0.577 1.00 70.04 C ATOM 986 CD1 PHE A 69 8.405 -3.693 -0.104 1.00 72.22 C ATOM 987 CD2 PHE A 69 6.749 -4.959 -1.264 1.00 44.44 C ATOM 988 CE1 PHE A 69 9.325 -4.702 -0.311 1.00 23.44 C ATOM 989 CE2 PHE A 69 7.666 -5.971 -1.473 1.00 12.22 C ATOM 990 CZ PHE A 69 8.955 -5.842 -0.997 1.00 61.51 C ATOM 0 H PHE A 69 3.958 -1.927 1.299 1.00 53.10 H new ATOM 0 HA PHE A 69 6.751 -2.810 1.697 1.00 2.32 H new ATOM 0 HB2 PHE A 69 5.126 -3.049 -0.678 1.00 62.23 H new ATOM 0 HB3 PHE A 69 6.375 -1.855 -0.973 1.00 62.23 H new ATOM 0 HD1 PHE A 69 8.700 -2.803 0.433 1.00 72.22 H new ATOM 0 HD2 PHE A 69 5.742 -5.065 -1.640 1.00 44.44 H new ATOM 0 HE1 PHE A 69 10.333 -4.600 0.063 1.00 23.44 H new ATOM 0 HE2 PHE A 69 7.374 -6.862 -2.008 1.00 12.22 H new ATOM 0 HZ PHE A 69 9.673 -6.632 -1.161 1.00 61.51 H new ATOM 999 N LEU A 70 7.620 -0.456 1.384 1.00 21.13 N ATOM 1000 CA LEU A 70 8.061 0.929 1.498 1.00 3.54 C ATOM 1001 C LEU A 70 8.600 1.441 0.166 1.00 13.41 C ATOM 1002 O LEU A 70 9.530 0.867 -0.399 1.00 70.54 O ATOM 1003 CB LEU A 70 9.136 1.056 2.579 1.00 15.12 C ATOM 1004 CG LEU A 70 10.459 0.344 2.296 1.00 23.44 C ATOM 1005 CD1 LEU A 70 11.532 1.347 1.901 1.00 50.41 C ATOM 1006 CD2 LEU A 70 10.901 -0.463 3.508 1.00 53.51 C ATOM 0 H LEU A 70 8.371 -1.144 1.449 1.00 21.13 H new ATOM 0 HA LEU A 70 7.200 1.536 1.778 1.00 3.54 H new ATOM 0 HB2 LEU A 70 9.342 2.115 2.735 1.00 15.12 H new ATOM 0 HB3 LEU A 70 8.731 0.669 3.514 1.00 15.12 H new ATOM 0 HG LEU A 70 10.308 -0.342 1.463 1.00 23.44 H new ATOM 0 HD11 LEU A 70 12.466 0.821 1.704 1.00 50.41 H new ATOM 0 HD12 LEU A 70 11.219 1.880 1.003 1.00 50.41 H new ATOM 0 HD13 LEU A 70 11.681 2.059 2.713 1.00 50.41 H new ATOM 0 HD21 LEU A 70 11.844 -0.963 3.288 1.00 53.51 H new ATOM 0 HD22 LEU A 70 11.034 0.203 4.360 1.00 53.51 H new ATOM 0 HD23 LEU A 70 10.142 -1.209 3.745 1.00 53.51 H new ATOM 1017 N ILE A 71 8.010 2.525 -0.327 1.00 33.32 N ATOM 1018 CA ILE A 71 8.433 3.115 -1.591 1.00 64.34 C ATOM 1019 C ILE A 71 9.330 4.326 -1.359 1.00 41.51 C ATOM 1020 O ILE A 71 9.041 5.171 -0.513 1.00 2.33 O ATOM 1021 CB ILE A 71 7.225 3.541 -2.446 1.00 70.01 C ATOM 1022 CG1 ILE A 71 6.152 2.452 -2.431 1.00 33.04 C ATOM 1023 CG2 ILE A 71 7.664 3.840 -3.872 1.00 63.41 C ATOM 1024 CD1 ILE A 71 5.010 2.742 -1.483 1.00 1.43 C ATOM 0 H ILE A 71 7.239 3.012 0.129 1.00 33.32 H new ATOM 0 HA ILE A 71 8.993 2.348 -2.126 1.00 64.34 H new ATOM 0 HB ILE A 71 6.800 4.449 -2.019 1.00 70.01 H new ATOM 0 HG12 ILE A 71 5.755 2.331 -3.439 1.00 33.04 H new ATOM 0 HG13 ILE A 71 6.612 1.504 -2.153 1.00 33.04 H new ATOM 0 HG21 ILE A 71 6.799 4.140 -4.464 1.00 63.41 H new ATOM 0 HG22 ILE A 71 8.396 4.647 -3.866 1.00 63.41 H new ATOM 0 HG23 ILE A 71 8.111 2.948 -4.310 1.00 63.41 H new ATOM 0 HD11 ILE A 71 4.287 1.928 -1.525 1.00 1.43 H new ATOM 0 HD12 ILE A 71 5.395 2.834 -0.467 1.00 1.43 H new ATOM 0 HD13 ILE A 71 4.524 3.674 -1.773 1.00 1.43 H new ATOM 1035 N GLU A 72 10.418 4.404 -2.118 1.00 24.41 N ATOM 1036 CA GLU A 72 11.357 5.513 -1.994 1.00 71.30 C ATOM 1037 C GLU A 72 11.342 6.381 -3.249 1.00 50.01 C ATOM 1038 O GLU A 72 11.249 5.875 -4.368 1.00 60.42 O ATOM 1039 CB GLU A 72 12.772 4.988 -1.742 1.00 71.50 C ATOM 1040 CG GLU A 72 13.811 6.086 -1.586 1.00 13.31 C ATOM 1041 CD GLU A 72 15.050 5.615 -0.850 1.00 44.32 C ATOM 1042 OE1 GLU A 72 15.634 4.593 -1.265 1.00 1.10 O ATOM 1043 OE2 GLU A 72 15.437 6.270 0.141 1.00 15.31 O ATOM 0 H GLU A 72 10.671 3.713 -2.825 1.00 24.41 H new ATOM 0 HA GLU A 72 11.047 6.124 -1.146 1.00 71.30 H new ATOM 0 HB2 GLU A 72 12.767 4.374 -0.842 1.00 71.50 H new ATOM 0 HB3 GLU A 72 13.062 4.340 -2.569 1.00 71.50 H new ATOM 0 HG2 GLU A 72 14.096 6.454 -2.572 1.00 13.31 H new ATOM 0 HG3 GLU A 72 13.370 6.925 -1.048 1.00 13.31 H new ATOM 1048 N THR A 73 11.432 7.694 -3.056 1.00 22.22 N ATOM 1049 CA THR A 73 11.428 8.632 -4.170 1.00 41.31 C ATOM 1050 C THR A 73 12.739 9.406 -4.243 1.00 22.43 C ATOM 1051 O THR A 73 13.134 10.070 -3.286 1.00 24.43 O ATOM 1052 CB THR A 73 10.261 9.632 -4.056 1.00 60.22 C ATOM 1053 OG1 THR A 73 10.416 10.678 -5.023 1.00 10.52 O ATOM 1054 CG2 THR A 73 10.195 10.231 -2.659 1.00 24.32 C ATOM 0 H THR A 73 11.509 8.131 -2.137 1.00 22.22 H new ATOM 0 HA THR A 73 11.307 8.043 -5.079 1.00 41.31 H new ATOM 0 HB THR A 73 9.332 9.095 -4.247 1.00 60.22 H new ATOM 0 HG1 THR A 73 9.670 11.309 -4.945 1.00 10.52 H new ATOM 0 HG21 THR A 73 9.364 10.934 -2.603 1.00 24.32 H new ATOM 0 HG22 THR A 73 10.047 9.435 -1.929 1.00 24.32 H new ATOM 0 HG23 THR A 73 11.127 10.754 -2.443 1.00 24.32 H new ATOM 1062 N GLY A 74 13.410 9.316 -5.387 1.00 63.32 N ATOM 1063 CA GLY A 74 14.671 10.014 -5.565 1.00 14.33 C ATOM 1064 C GLY A 74 14.719 10.804 -6.857 1.00 21.10 C ATOM 1065 O GLY A 74 13.706 11.000 -7.528 1.00 60.12 O ATOM 0 H GLY A 74 13.103 8.772 -6.194 1.00 63.32 H new ATOM 0 HA2 GLY A 74 14.831 10.689 -4.724 1.00 14.33 H new ATOM 0 HA3 GLY A 74 15.487 9.292 -5.554 1.00 14.33 H new ATOM 1069 N PRO A 75 15.922 11.274 -7.222 1.00 54.25 N ATOM 1070 CA PRO A 75 16.126 12.057 -8.445 1.00 63.33 C ATOM 1071 C PRO A 75 15.964 11.216 -9.706 1.00 35.12 C ATOM 1072 O PRO A 75 15.972 11.739 -10.820 1.00 64.23 O ATOM 1073 CB PRO A 75 17.570 12.549 -8.313 1.00 61.43 C ATOM 1074 CG PRO A 75 18.231 11.548 -7.429 1.00 44.45 C ATOM 1075 CD PRO A 75 17.172 11.078 -6.470 1.00 64.53 C ATOM 0 HA PRO A 75 15.394 12.859 -8.543 1.00 63.33 H new ATOM 0 HB2 PRO A 75 18.060 12.604 -9.285 1.00 61.43 H new ATOM 0 HB3 PRO A 75 17.610 13.548 -7.879 1.00 61.43 H new ATOM 0 HG2 PRO A 75 18.628 10.716 -8.010 1.00 44.45 H new ATOM 0 HG3 PRO A 75 19.071 11.993 -6.895 1.00 44.45 H new ATOM 0 HD2 PRO A 75 17.315 10.034 -6.193 1.00 64.53 H new ATOM 0 HD3 PRO A 75 17.181 11.657 -5.546 1.00 64.53 H new ATOM 1080 N LYS A 76 15.814 9.908 -9.524 1.00 25.15 N ATOM 1081 CA LYS A 76 15.647 8.993 -10.647 1.00 62.31 C ATOM 1082 C LYS A 76 14.221 8.456 -10.703 1.00 71.24 C ATOM 1083 O LYS A 76 13.892 7.628 -11.552 1.00 62.05 O ATOM 1084 CB LYS A 76 16.637 7.830 -10.535 1.00 72.44 C ATOM 1085 CG LYS A 76 18.092 8.264 -10.574 1.00 42.34 C ATOM 1086 CD LYS A 76 18.779 7.800 -11.846 1.00 74.35 C ATOM 1087 CE LYS A 76 19.972 8.679 -12.189 1.00 43.33 C ATOM 1088 NZ LYS A 76 20.095 8.899 -13.656 1.00 64.15 N ATOM 0 H LYS A 76 15.805 9.458 -8.609 1.00 25.15 H new ATOM 0 HA LYS A 76 15.845 9.545 -11.566 1.00 62.31 H new ATOM 0 HB2 LYS A 76 16.451 7.294 -9.604 1.00 72.44 H new ATOM 0 HB3 LYS A 76 16.454 7.128 -11.349 1.00 72.44 H new ATOM 0 HG2 LYS A 76 18.150 9.350 -10.504 1.00 42.34 H new ATOM 0 HG3 LYS A 76 18.616 7.860 -9.708 1.00 42.34 H new ATOM 0 HD2 LYS A 76 19.109 6.768 -11.727 1.00 74.35 H new ATOM 0 HD3 LYS A 76 18.067 7.814 -12.671 1.00 74.35 H new ATOM 0 HE2 LYS A 76 19.872 9.640 -11.685 1.00 43.33 H new ATOM 0 HE3 LYS A 76 20.884 8.216 -11.813 1.00 43.33 H new ATOM 0 HZ1 LYS A 76 20.920 9.503 -13.849 1.00 64.15 H new ATOM 0 HZ2 LYS A 76 20.216 7.984 -14.135 1.00 64.15 H new ATOM 0 HZ3 LYS A 76 19.235 9.364 -14.011 1.00 64.15 H new ATOM 1098 N GLY A 77 13.376 8.935 -9.795 1.00 73.23 N ATOM 1099 CA GLY A 77 11.994 8.493 -9.760 1.00 34.42 C ATOM 1100 C GLY A 77 11.645 7.784 -8.468 1.00 15.45 C ATOM 1101 O GLY A 77 12.504 7.584 -7.609 1.00 33.55 O ATOM 0 H GLY A 77 13.624 9.622 -9.083 1.00 73.23 H new ATOM 0 HA2 GLY A 77 11.337 9.354 -9.887 1.00 34.42 H new ATOM 0 HA3 GLY A 77 11.809 7.823 -10.600 1.00 34.42 H new ATOM 1105 N VAL A 78 10.379 7.403 -8.327 1.00 44.34 N ATOM 1106 CA VAL A 78 9.917 6.713 -7.128 1.00 15.31 C ATOM 1107 C VAL A 78 9.543 5.268 -7.436 1.00 75.14 C ATOM 1108 O VAL A 78 8.773 4.997 -8.359 1.00 2.15 O ATOM 1109 CB VAL A 78 8.702 7.424 -6.504 1.00 52.25 C ATOM 1110 CG1 VAL A 78 7.562 7.515 -7.508 1.00 45.21 C ATOM 1111 CG2 VAL A 78 8.254 6.705 -5.241 1.00 31.23 C ATOM 0 H VAL A 78 9.655 7.561 -9.028 1.00 44.34 H new ATOM 0 HA VAL A 78 10.742 6.728 -6.416 1.00 15.31 H new ATOM 0 HB VAL A 78 8.997 8.438 -6.232 1.00 52.25 H new ATOM 0 HG11 VAL A 78 6.712 8.020 -7.049 1.00 45.21 H new ATOM 0 HG12 VAL A 78 7.891 8.078 -8.382 1.00 45.21 H new ATOM 0 HG13 VAL A 78 7.265 6.512 -7.814 1.00 45.21 H new ATOM 0 HG21 VAL A 78 7.394 7.221 -4.814 1.00 31.23 H new ATOM 0 HG22 VAL A 78 7.977 5.680 -5.485 1.00 31.23 H new ATOM 0 HG23 VAL A 78 9.069 6.698 -4.518 1.00 31.23 H new ATOM 1121 N LYS A 79 10.093 4.341 -6.658 1.00 53.34 N ATOM 1122 CA LYS A 79 9.816 2.922 -6.845 1.00 71.11 C ATOM 1123 C LYS A 79 9.761 2.198 -5.505 1.00 14.25 C ATOM 1124 O LYS A 79 10.287 2.684 -4.503 1.00 33.21 O ATOM 1125 CB LYS A 79 10.885 2.287 -7.737 1.00 24.31 C ATOM 1126 CG LYS A 79 12.277 2.308 -7.128 1.00 12.33 C ATOM 1127 CD LYS A 79 12.536 1.067 -6.289 1.00 11.23 C ATOM 1128 CE LYS A 79 13.235 1.414 -4.983 1.00 1.14 C ATOM 1129 NZ LYS A 79 14.473 0.610 -4.786 1.00 32.12 N ATOM 0 H LYS A 79 10.734 4.548 -5.892 1.00 53.34 H new ATOM 0 HA LYS A 79 8.844 2.827 -7.329 1.00 71.11 H new ATOM 0 HB2 LYS A 79 10.605 1.255 -7.947 1.00 24.31 H new ATOM 0 HB3 LYS A 79 10.908 2.811 -8.692 1.00 24.31 H new ATOM 0 HG2 LYS A 79 13.022 2.374 -7.921 1.00 12.33 H new ATOM 0 HG3 LYS A 79 12.391 3.198 -6.509 1.00 12.33 H new ATOM 0 HD2 LYS A 79 11.591 0.567 -6.076 1.00 11.23 H new ATOM 0 HD3 LYS A 79 13.148 0.365 -6.855 1.00 11.23 H new ATOM 0 HE2 LYS A 79 13.486 2.475 -4.976 1.00 1.14 H new ATOM 0 HE3 LYS A 79 12.554 1.242 -4.150 1.00 1.14 H new ATOM 0 HZ1 LYS A 79 14.920 0.876 -3.885 1.00 32.12 H new ATOM 0 HZ2 LYS A 79 14.231 -0.401 -4.767 1.00 32.12 H new ATOM 0 HZ3 LYS A 79 15.134 0.793 -5.568 1.00 32.12 H new ATOM 1139 N ILE A 80 9.122 1.032 -5.494 1.00 5.32 N ATOM 1140 CA ILE A 80 9.001 0.240 -4.276 1.00 31.44 C ATOM 1141 C ILE A 80 10.314 -0.459 -3.942 1.00 64.33 C ATOM 1142 O ILE A 80 10.799 -1.294 -4.707 1.00 13.22 O ATOM 1143 CB ILE A 80 7.887 -0.817 -4.400 1.00 20.31 C ATOM 1144 CG1 ILE A 80 6.543 -0.142 -4.683 1.00 31.02 C ATOM 1145 CG2 ILE A 80 7.809 -1.656 -3.134 1.00 44.35 C ATOM 1146 CD1 ILE A 80 5.529 -1.063 -5.324 1.00 51.53 C ATOM 0 H ILE A 80 8.681 0.616 -6.314 1.00 5.32 H new ATOM 0 HA ILE A 80 8.746 0.932 -3.474 1.00 31.44 H new ATOM 0 HB ILE A 80 8.124 -1.477 -5.235 1.00 20.31 H new ATOM 0 HG12 ILE A 80 6.134 0.242 -3.748 1.00 31.02 H new ATOM 0 HG13 ILE A 80 6.706 0.716 -5.335 1.00 31.02 H new ATOM 0 HG21 ILE A 80 7.017 -2.398 -3.237 1.00 44.35 H new ATOM 0 HG22 ILE A 80 8.761 -2.161 -2.973 1.00 44.35 H new ATOM 0 HG23 ILE A 80 7.592 -1.011 -2.283 1.00 44.35 H new ATOM 0 HD11 ILE A 80 4.601 -0.519 -5.496 1.00 51.53 H new ATOM 0 HD12 ILE A 80 5.918 -1.427 -6.275 1.00 51.53 H new ATOM 0 HD13 ILE A 80 5.337 -1.908 -4.663 1.00 51.53 H new ATOM 1203 N SER A 85 13.227 -5.321 -10.235 1.00 62.40 N ATOM 1204 CA SER A 85 12.843 -4.617 -11.454 1.00 63.01 C ATOM 1205 C SER A 85 13.212 -3.139 -11.365 1.00 31.12 C ATOM 1206 O SER A 85 13.961 -2.625 -12.195 1.00 31.35 O ATOM 1207 CB SER A 85 11.341 -4.766 -11.702 1.00 42.03 C ATOM 1208 OG SER A 85 11.046 -4.712 -13.087 1.00 64.04 O ATOM 0 HA SER A 85 13.387 -5.060 -12.288 1.00 63.01 H new ATOM 0 HB2 SER A 85 10.993 -5.713 -11.289 1.00 42.03 H new ATOM 0 HB3 SER A 85 10.803 -3.974 -11.181 1.00 42.03 H new ATOM 0 HG SER A 85 10.080 -4.811 -13.220 1.00 64.04 H new ATOM 1213 N GLU A 86 12.680 -2.462 -10.353 1.00 52.53 N ATOM 1214 CA GLU A 86 12.951 -1.043 -10.157 1.00 42.13 C ATOM 1215 C GLU A 86 12.471 -0.227 -11.353 1.00 71.13 C ATOM 1216 O GLU A 86 13.261 0.241 -12.175 1.00 11.23 O ATOM 1217 CB GLU A 86 14.449 -0.814 -9.936 1.00 55.42 C ATOM 1218 CG GLU A 86 14.845 -0.751 -8.471 1.00 1.52 C ATOM 1219 CD GLU A 86 16.204 -1.370 -8.207 1.00 40.24 C ATOM 1220 OE1 GLU A 86 17.167 -1.011 -8.914 1.00 74.22 O ATOM 1221 OE2 GLU A 86 16.302 -2.214 -7.292 1.00 44.22 O ATOM 0 H GLU A 86 12.059 -2.873 -9.656 1.00 52.53 H new ATOM 0 HA GLU A 86 12.406 -0.713 -9.273 1.00 42.13 H new ATOM 0 HB2 GLU A 86 15.006 -1.616 -10.420 1.00 55.42 H new ATOM 0 HB3 GLU A 86 14.742 0.116 -10.423 1.00 55.42 H new ATOM 0 HG2 GLU A 86 14.854 0.289 -8.145 1.00 1.52 H new ATOM 0 HG3 GLU A 86 14.093 -1.266 -7.873 1.00 1.52 H new ATOM 1226 N PRO A 87 11.146 -0.050 -11.455 1.00 52.22 N ATOM 1227 CA PRO A 87 10.530 0.710 -12.547 1.00 10.40 C ATOM 1228 C PRO A 87 10.820 2.204 -12.449 1.00 53.51 C ATOM 1229 O PRO A 87 11.091 2.860 -13.455 1.00 42.41 O ATOM 1230 CB PRO A 87 9.034 0.442 -12.365 1.00 72.12 C ATOM 1231 CG PRO A 87 8.879 0.122 -10.919 1.00 3.02 C ATOM 1232 CD PRO A 87 10.146 -0.578 -10.512 1.00 34.20 C ATOM 0 HA PRO A 87 10.915 0.410 -13.521 1.00 10.40 H new ATOM 0 HB2 PRO A 87 8.439 1.312 -12.644 1.00 72.12 H new ATOM 0 HB3 PRO A 87 8.701 -0.386 -12.991 1.00 72.12 H new ATOM 0 HG2 PRO A 87 8.728 1.028 -10.333 1.00 3.02 H new ATOM 0 HG3 PRO A 87 8.010 -0.514 -10.751 1.00 3.02 H new ATOM 0 HD2 PRO A 87 10.413 -0.357 -9.478 1.00 34.20 H new ATOM 0 HD3 PRO A 87 10.050 -1.661 -10.592 1.00 34.20 H new ATOM 1237 N TYR A 88 10.761 2.735 -11.233 1.00 32.45 N ATOM 1238 CA TYR A 88 11.015 4.151 -11.005 1.00 43.32 C ATOM 1239 C TYR A 88 10.046 5.015 -11.806 1.00 43.44 C ATOM 1240 O TYR A 88 10.360 5.462 -12.909 1.00 62.54 O ATOM 1241 CB TYR A 88 12.456 4.499 -11.381 1.00 45.44 C ATOM 1242 CG TYR A 88 13.467 4.121 -10.321 1.00 74.42 C ATOM 1243 CD1 TYR A 88 13.578 4.854 -9.146 1.00 11.12 C ATOM 1244 CD2 TYR A 88 14.311 3.032 -10.495 1.00 73.54 C ATOM 1245 CE1 TYR A 88 14.500 4.513 -8.175 1.00 33.23 C ATOM 1246 CE2 TYR A 88 15.235 2.682 -9.530 1.00 60.34 C ATOM 1247 CZ TYR A 88 15.326 3.425 -8.372 1.00 54.33 C ATOM 1248 OH TYR A 88 16.246 3.081 -7.409 1.00 2.00 O ATOM 0 H TYR A 88 10.539 2.205 -10.390 1.00 32.45 H new ATOM 0 HA TYR A 88 10.863 4.355 -9.945 1.00 43.32 H new ATOM 0 HB2 TYR A 88 12.712 3.993 -12.312 1.00 45.44 H new ATOM 0 HB3 TYR A 88 12.524 5.570 -11.571 1.00 45.44 H new ATOM 0 HD1 TYR A 88 12.932 5.705 -8.989 1.00 11.12 H new ATOM 0 HD2 TYR A 88 14.244 2.448 -11.401 1.00 73.54 H new ATOM 0 HE1 TYR A 88 14.574 5.094 -7.268 1.00 33.23 H new ATOM 0 HE2 TYR A 88 15.883 1.831 -9.682 1.00 60.34 H new ATOM 0 HH TYR A 88 16.747 2.292 -7.702 1.00 2.00 H new ATOM 1257 N PHE A 89 8.865 5.247 -11.242 1.00 32.10 N ATOM 1258 CA PHE A 89 7.848 6.057 -11.903 1.00 1.42 C ATOM 1259 C PHE A 89 7.996 7.529 -11.527 1.00 13.14 C ATOM 1260 O PHE A 89 8.985 7.927 -10.914 1.00 52.42 O ATOM 1261 CB PHE A 89 6.449 5.561 -11.529 1.00 51.03 C ATOM 1262 CG PHE A 89 6.245 4.095 -11.785 1.00 53.34 C ATOM 1263 CD1 PHE A 89 5.933 3.638 -13.055 1.00 74.44 C ATOM 1264 CD2 PHE A 89 6.362 3.175 -10.756 1.00 51.44 C ATOM 1265 CE1 PHE A 89 5.745 2.290 -13.295 1.00 15.02 C ATOM 1266 CE2 PHE A 89 6.175 1.826 -10.989 1.00 73.04 C ATOM 1267 CZ PHE A 89 5.865 1.383 -12.260 1.00 55.45 C ATOM 0 H PHE A 89 8.589 4.886 -10.329 1.00 32.10 H new ATOM 0 HA PHE A 89 7.985 5.960 -12.980 1.00 1.42 H new ATOM 0 HB2 PHE A 89 6.270 5.766 -10.474 1.00 51.03 H new ATOM 0 HB3 PHE A 89 5.708 6.127 -12.094 1.00 51.03 H new ATOM 0 HD1 PHE A 89 5.836 4.343 -13.867 1.00 74.44 H new ATOM 0 HD2 PHE A 89 6.602 3.516 -9.760 1.00 51.44 H new ATOM 0 HE1 PHE A 89 5.505 1.946 -14.290 1.00 15.02 H new ATOM 0 HE2 PHE A 89 6.271 1.119 -10.178 1.00 73.04 H new ATOM 0 HZ PHE A 89 5.717 0.329 -12.444 1.00 55.45 H new ATOM 1276 N GLY A 90 7.004 8.331 -11.900 1.00 54.32 N ATOM 1277 CA GLY A 90 7.042 9.749 -11.595 1.00 33.11 C ATOM 1278 C GLY A 90 6.871 10.028 -10.115 1.00 63.43 C ATOM 1279 O GLY A 90 7.827 10.393 -9.430 1.00 71.33 O ATOM 0 H GLY A 90 6.175 8.024 -12.408 1.00 54.32 H new ATOM 0 HA2 GLY A 90 7.991 10.165 -11.933 1.00 33.11 H new ATOM 0 HA3 GLY A 90 6.255 10.258 -12.151 1.00 33.11 H new ATOM 1283 N SER A 91 5.650 9.860 -9.620 1.00 1.51 N ATOM 1284 CA SER A 91 5.355 10.102 -8.212 1.00 22.23 C ATOM 1285 C SER A 91 4.487 8.986 -7.639 1.00 43.41 C ATOM 1286 O SER A 91 4.081 8.069 -8.354 1.00 43.54 O ATOM 1287 CB SER A 91 4.652 11.450 -8.040 1.00 61.23 C ATOM 1288 OG SER A 91 5.592 12.498 -7.882 1.00 71.11 O ATOM 0 H SER A 91 4.848 9.557 -10.173 1.00 1.51 H new ATOM 0 HA SER A 91 6.299 10.121 -7.667 1.00 22.23 H new ATOM 0 HB2 SER A 91 4.023 11.649 -8.908 1.00 61.23 H new ATOM 0 HB3 SER A 91 3.995 11.413 -7.171 1.00 61.23 H new ATOM 0 HG SER A 91 5.118 13.349 -7.776 1.00 71.11 H new ATOM 1293 N LEU A 92 4.205 9.070 -6.343 1.00 24.41 N ATOM 1294 CA LEU A 92 3.386 8.068 -5.671 1.00 53.31 C ATOM 1295 C LEU A 92 2.072 7.850 -6.417 1.00 43.14 C ATOM 1296 O LEU A 92 1.574 6.728 -6.501 1.00 55.15 O ATOM 1297 CB LEU A 92 3.101 8.496 -4.230 1.00 21.31 C ATOM 1298 CG LEU A 92 4.194 8.177 -3.208 1.00 62.21 C ATOM 1299 CD1 LEU A 92 3.870 6.891 -2.464 1.00 21.51 C ATOM 1300 CD2 LEU A 92 5.550 8.074 -3.892 1.00 34.24 C ATOM 0 H LEU A 92 4.532 9.822 -5.737 1.00 24.41 H new ATOM 0 HA LEU A 92 3.939 7.129 -5.662 1.00 53.31 H new ATOM 0 HB2 LEU A 92 2.924 9.571 -4.219 1.00 21.31 H new ATOM 0 HB3 LEU A 92 2.177 8.018 -3.906 1.00 21.31 H new ATOM 0 HG LEU A 92 4.236 8.990 -2.483 1.00 62.21 H new ATOM 0 HD11 LEU A 92 4.658 6.680 -1.741 1.00 21.51 H new ATOM 0 HD12 LEU A 92 2.920 7.002 -1.942 1.00 21.51 H new ATOM 0 HD13 LEU A 92 3.799 6.067 -3.175 1.00 21.51 H new ATOM 0 HD21 LEU A 92 6.315 7.847 -3.150 1.00 34.24 H new ATOM 0 HD22 LEU A 92 5.521 7.281 -4.639 1.00 34.24 H new ATOM 0 HD23 LEU A 92 5.785 9.021 -4.378 1.00 34.24 H new ATOM 1311 N SER A 93 1.519 8.931 -6.958 1.00 20.51 N ATOM 1312 CA SER A 93 0.264 8.859 -7.696 1.00 31.04 C ATOM 1313 C SER A 93 0.453 8.126 -9.021 1.00 3.40 C ATOM 1314 O SER A 93 -0.439 7.417 -9.483 1.00 74.04 O ATOM 1315 CB SER A 93 -0.284 10.265 -7.950 1.00 34.52 C ATOM 1316 OG SER A 93 -1.144 10.675 -6.902 1.00 4.11 O ATOM 0 H SER A 93 1.921 9.867 -6.899 1.00 20.51 H new ATOM 0 HA SER A 93 -0.452 8.301 -7.093 1.00 31.04 H new ATOM 0 HB2 SER A 93 0.543 10.969 -8.043 1.00 34.52 H new ATOM 0 HB3 SER A 93 -0.825 10.282 -8.896 1.00 34.52 H new ATOM 0 HG SER A 93 -1.479 11.577 -7.088 1.00 4.11 H new ATOM 1321 N ALA A 94 1.623 8.305 -9.626 1.00 62.41 N ATOM 1322 CA ALA A 94 1.932 7.660 -10.896 1.00 62.34 C ATOM 1323 C ALA A 94 2.026 6.146 -10.736 1.00 45.21 C ATOM 1324 O ALA A 94 1.472 5.391 -11.535 1.00 51.22 O ATOM 1325 CB ALA A 94 3.229 8.214 -11.467 1.00 31.53 C ATOM 0 H ALA A 94 2.372 8.891 -9.257 1.00 62.41 H new ATOM 0 HA ALA A 94 1.120 7.875 -11.591 1.00 62.34 H new ATOM 0 HB1 ALA A 94 3.448 7.724 -12.415 1.00 31.53 H new ATOM 0 HB2 ALA A 94 3.126 9.287 -11.629 1.00 31.53 H new ATOM 0 HB3 ALA A 94 4.043 8.029 -10.767 1.00 31.53 H new ATOM 1331 N LEU A 95 2.732 5.710 -9.698 1.00 71.41 N ATOM 1332 CA LEU A 95 2.899 4.285 -9.433 1.00 3.05 C ATOM 1333 C LEU A 95 1.600 3.669 -8.925 1.00 41.32 C ATOM 1334 O LEU A 95 1.304 2.505 -9.195 1.00 72.41 O ATOM 1335 CB LEU A 95 4.015 4.064 -8.410 1.00 31.10 C ATOM 1336 CG LEU A 95 3.917 4.882 -7.122 1.00 63.04 C ATOM 1337 CD1 LEU A 95 3.058 4.160 -6.096 1.00 5.43 C ATOM 1338 CD2 LEU A 95 5.303 5.160 -6.559 1.00 61.21 C ATOM 0 H LEU A 95 3.197 6.322 -9.027 1.00 71.41 H new ATOM 0 HA LEU A 95 3.169 3.796 -10.369 1.00 3.05 H new ATOM 0 HB2 LEU A 95 4.033 3.007 -8.145 1.00 31.10 H new ATOM 0 HB3 LEU A 95 4.968 4.289 -8.888 1.00 31.10 H new ATOM 0 HG LEU A 95 3.444 5.836 -7.355 1.00 63.04 H new ATOM 0 HD11 LEU A 95 2.999 4.757 -5.186 1.00 5.43 H new ATOM 0 HD12 LEU A 95 2.056 4.013 -6.499 1.00 5.43 H new ATOM 0 HD13 LEU A 95 3.502 3.191 -5.867 1.00 5.43 H new ATOM 0 HD21 LEU A 95 5.213 5.743 -5.643 1.00 61.21 H new ATOM 0 HD22 LEU A 95 5.803 4.216 -6.341 1.00 61.21 H new ATOM 0 HD23 LEU A 95 5.887 5.720 -7.290 1.00 61.21 H new ATOM 1349 N VAL A 96 0.825 4.459 -8.188 1.00 44.40 N ATOM 1350 CA VAL A 96 -0.445 3.993 -7.645 1.00 42.50 C ATOM 1351 C VAL A 96 -1.466 3.765 -8.753 1.00 14.15 C ATOM 1352 O VAL A 96 -2.206 2.780 -8.737 1.00 44.35 O ATOM 1353 CB VAL A 96 -1.024 4.996 -6.629 1.00 64.12 C ATOM 1354 CG1 VAL A 96 -2.514 4.763 -6.437 1.00 10.54 C ATOM 1355 CG2 VAL A 96 -0.284 4.897 -5.303 1.00 3.50 C ATOM 0 H VAL A 96 1.055 5.425 -7.954 1.00 44.40 H new ATOM 0 HA VAL A 96 -0.244 3.049 -7.139 1.00 42.50 H new ATOM 0 HB VAL A 96 -0.887 6.004 -7.021 1.00 64.12 H new ATOM 0 HG11 VAL A 96 -2.905 5.481 -5.716 1.00 10.54 H new ATOM 0 HG12 VAL A 96 -3.028 4.890 -7.390 1.00 10.54 H new ATOM 0 HG13 VAL A 96 -2.679 3.751 -6.067 1.00 10.54 H new ATOM 0 HG21 VAL A 96 -0.706 5.612 -4.597 1.00 3.50 H new ATOM 0 HG22 VAL A 96 -0.387 3.888 -4.903 1.00 3.50 H new ATOM 0 HG23 VAL A 96 0.772 5.119 -5.458 1.00 3.50 H new ATOM 1365 N SER A 97 -1.501 4.679 -9.717 1.00 22.11 N ATOM 1366 CA SER A 97 -2.434 4.579 -10.833 1.00 42.22 C ATOM 1367 C SER A 97 -2.027 3.456 -11.782 1.00 71.45 C ATOM 1368 O SER A 97 -2.872 2.718 -12.285 1.00 52.25 O ATOM 1369 CB SER A 97 -2.499 5.906 -11.592 1.00 30.43 C ATOM 1370 OG SER A 97 -3.270 5.780 -12.775 1.00 5.40 O ATOM 0 H SER A 97 -0.894 5.498 -9.748 1.00 22.11 H new ATOM 0 HA SER A 97 -3.421 4.351 -10.430 1.00 42.22 H new ATOM 0 HB2 SER A 97 -2.933 6.674 -10.952 1.00 30.43 H new ATOM 0 HB3 SER A 97 -1.491 6.234 -11.845 1.00 30.43 H new ATOM 0 HG SER A 97 -3.297 6.642 -13.241 1.00 5.40 H new ATOM 1375 N GLN A 98 -0.724 3.335 -12.021 1.00 55.25 N ATOM 1376 CA GLN A 98 -0.205 2.304 -12.912 1.00 1.25 C ATOM 1377 C GLN A 98 -0.288 0.928 -12.257 1.00 54.24 C ATOM 1378 O GLN A 98 -0.462 -0.083 -12.937 1.00 33.35 O ATOM 1379 CB GLN A 98 1.244 2.613 -13.293 1.00 31.33 C ATOM 1380 CG GLN A 98 1.392 3.842 -14.175 1.00 44.05 C ATOM 1381 CD GLN A 98 1.478 3.497 -15.649 1.00 3.43 C ATOM 1382 OE1 GLN A 98 0.480 3.538 -16.367 1.00 2.52 O ATOM 1383 NE2 GLN A 98 2.677 3.153 -16.107 1.00 53.13 N ATOM 0 H GLN A 98 -0.010 3.937 -11.611 1.00 55.25 H new ATOM 0 HA GLN A 98 -0.817 2.295 -13.814 1.00 1.25 H new ATOM 0 HB2 GLN A 98 1.827 2.756 -12.384 1.00 31.33 H new ATOM 0 HB3 GLN A 98 1.667 1.752 -13.810 1.00 31.33 H new ATOM 0 HG2 GLN A 98 0.544 4.507 -14.010 1.00 44.05 H new ATOM 0 HG3 GLN A 98 2.288 4.389 -13.881 1.00 44.05 H new ATOM 0 HE21 GLN A 98 3.478 3.133 -15.475 1.00 53.13 H new ATOM 0 HE22 GLN A 98 2.797 2.909 -17.090 1.00 53.13 H new ATOM 1390 N HIS A 99 -0.164 0.899 -10.934 1.00 74.12 N ATOM 1391 CA HIS A 99 -0.226 -0.353 -10.188 1.00 55.44 C ATOM 1392 C HIS A 99 -1.607 -0.990 -10.311 1.00 33.14 C ATOM 1393 O HIS A 99 -1.786 -2.170 -10.009 1.00 2.40 O ATOM 1394 CB HIS A 99 0.108 -0.111 -8.716 1.00 73.25 C ATOM 1395 CG HIS A 99 1.559 -0.294 -8.394 1.00 64.22 C ATOM 1396 ND1 HIS A 99 2.341 -1.273 -8.971 1.00 12.41 N ATOM 1397 CD2 HIS A 99 2.371 0.384 -7.549 1.00 55.13 C ATOM 1398 CE1 HIS A 99 3.571 -1.190 -8.494 1.00 54.53 C ATOM 1399 NE2 HIS A 99 3.615 -0.191 -7.630 1.00 31.41 N ATOM 0 H HIS A 99 -0.020 1.727 -10.357 1.00 74.12 H new ATOM 0 HA HIS A 99 0.509 -1.037 -10.611 1.00 55.44 H new ATOM 0 HB2 HIS A 99 -0.191 0.902 -8.446 1.00 73.25 H new ATOM 0 HB3 HIS A 99 -0.481 -0.792 -8.101 1.00 73.25 H new ATOM 0 HD1 HIS A 99 2.020 -1.955 -9.659 1.00 12.41 H new ATOM 0 HD2 HIS A 99 2.092 1.222 -6.927 1.00 55.13 H new ATOM 0 HE1 HIS A 99 4.398 -1.829 -8.764 1.00 54.53 H new ATOM 1406 N SER A 100 -2.580 -0.202 -10.755 1.00 54.43 N ATOM 1407 CA SER A 100 -3.946 -0.687 -10.913 1.00 35.23 C ATOM 1408 C SER A 100 -4.197 -1.144 -12.347 1.00 52.40 C ATOM 1409 O SER A 100 -5.331 -1.445 -12.724 1.00 11.20 O ATOM 1410 CB SER A 100 -4.946 0.405 -10.531 1.00 52.24 C ATOM 1411 OG SER A 100 -6.278 -0.026 -10.746 1.00 53.54 O ATOM 0 H SER A 100 -2.448 0.776 -11.012 1.00 54.43 H new ATOM 0 HA SER A 100 -4.081 -1.540 -10.249 1.00 35.23 H new ATOM 0 HB2 SER A 100 -4.812 0.675 -9.483 1.00 52.24 H new ATOM 0 HB3 SER A 100 -4.751 1.302 -11.118 1.00 52.24 H new ATOM 0 HG SER A 100 -6.609 -0.478 -9.942 1.00 53.54 H new ATOM 1416 N ILE A 101 -3.134 -1.194 -13.141 1.00 62.11 N ATOM 1417 CA ILE A 101 -3.239 -1.614 -14.532 1.00 60.44 C ATOM 1418 C ILE A 101 -2.153 -2.625 -14.884 1.00 31.34 C ATOM 1419 O ILE A 101 -2.392 -3.573 -15.634 1.00 64.12 O ATOM 1420 CB ILE A 101 -3.137 -0.414 -15.492 1.00 72.34 C ATOM 1421 CG1 ILE A 101 -4.201 0.631 -15.152 1.00 53.32 C ATOM 1422 CG2 ILE A 101 -3.282 -0.876 -16.935 1.00 53.22 C ATOM 1423 CD1 ILE A 101 -3.993 1.956 -15.852 1.00 23.03 C ATOM 0 H ILE A 101 -2.189 -0.949 -12.845 1.00 62.11 H new ATOM 0 HA ILE A 101 -4.218 -2.079 -14.648 1.00 60.44 H new ATOM 0 HB ILE A 101 -2.155 0.044 -15.375 1.00 72.34 H new ATOM 0 HG12 ILE A 101 -5.182 0.239 -15.419 1.00 53.32 H new ATOM 0 HG13 ILE A 101 -4.206 0.795 -14.074 1.00 53.32 H new ATOM 0 HG21 ILE A 101 -3.208 -0.017 -17.601 1.00 53.22 H new ATOM 0 HG22 ILE A 101 -2.490 -1.587 -17.171 1.00 53.22 H new ATOM 0 HG23 ILE A 101 -4.252 -1.355 -17.068 1.00 53.22 H new ATOM 0 HD11 ILE A 101 -4.784 2.648 -15.564 1.00 23.03 H new ATOM 0 HD12 ILE A 101 -3.026 2.371 -15.566 1.00 23.03 H new ATOM 0 HD13 ILE A 101 -4.018 1.805 -16.931 1.00 23.03 H new ATOM 1434 N SER A 102 -0.960 -2.419 -14.335 1.00 73.52 N ATOM 1435 CA SER A 102 0.164 -3.312 -14.593 1.00 24.23 C ATOM 1436 C SER A 102 1.036 -3.460 -13.350 1.00 30.34 C ATOM 1437 O SER A 102 2.122 -2.888 -13.250 1.00 42.22 O ATOM 1438 CB SER A 102 1.004 -2.787 -15.759 1.00 33.52 C ATOM 1439 OG SER A 102 0.343 -2.992 -16.996 1.00 63.41 O ATOM 0 H SER A 102 -0.747 -1.642 -13.709 1.00 73.52 H new ATOM 0 HA SER A 102 -0.235 -4.292 -14.855 1.00 24.23 H new ATOM 0 HB2 SER A 102 1.201 -1.724 -15.620 1.00 33.52 H new ATOM 0 HB3 SER A 102 1.970 -3.291 -15.771 1.00 33.52 H new ATOM 0 HG SER A 102 0.899 -2.647 -17.725 1.00 63.41 H new ATOM 1444 N PRO A 103 0.550 -4.247 -12.378 1.00 22.33 N ATOM 1445 CA PRO A 103 1.269 -4.490 -11.124 1.00 2.03 C ATOM 1446 C PRO A 103 2.517 -5.342 -11.325 1.00 72.50 C ATOM 1447 O PRO A 103 2.469 -6.382 -11.983 1.00 32.42 O ATOM 1448 CB PRO A 103 0.244 -5.236 -10.267 1.00 0.14 C ATOM 1449 CG PRO A 103 -0.668 -5.889 -11.248 1.00 64.24 C ATOM 1450 CD PRO A 103 -0.737 -4.961 -12.429 1.00 23.41 C ATOM 0 HA PRO A 103 1.628 -3.564 -10.675 1.00 2.03 H new ATOM 0 HB2 PRO A 103 0.727 -5.972 -9.624 1.00 0.14 H new ATOM 0 HB3 PRO A 103 -0.300 -4.552 -9.616 1.00 0.14 H new ATOM 0 HG2 PRO A 103 -0.289 -6.868 -11.542 1.00 64.24 H new ATOM 0 HG3 PRO A 103 -1.657 -6.047 -10.817 1.00 64.24 H new ATOM 0 HD2 PRO A 103 -0.856 -5.509 -13.364 1.00 23.41 H new ATOM 0 HD3 PRO A 103 -1.580 -4.275 -12.352 1.00 23.41 H new ATOM 1455 N ILE A 104 3.631 -4.896 -10.756 1.00 33.41 N ATOM 1456 CA ILE A 104 4.891 -5.621 -10.872 1.00 52.25 C ATOM 1457 C ILE A 104 5.085 -6.578 -9.703 1.00 3.32 C ATOM 1458 O ILE A 104 4.951 -7.793 -9.852 1.00 11.40 O ATOM 1459 CB ILE A 104 6.091 -4.656 -10.937 1.00 55.34 C ATOM 1460 CG1 ILE A 104 5.963 -3.727 -12.146 1.00 34.11 C ATOM 1461 CG2 ILE A 104 7.395 -5.437 -10.997 1.00 60.23 C ATOM 1462 CD1 ILE A 104 6.671 -2.403 -11.969 1.00 72.32 C ATOM 0 H ILE A 104 3.688 -4.036 -10.210 1.00 33.41 H new ATOM 0 HA ILE A 104 4.843 -6.191 -11.800 1.00 52.25 H new ATOM 0 HB ILE A 104 6.097 -4.046 -10.034 1.00 55.34 H new ATOM 0 HG12 ILE A 104 6.366 -4.230 -13.025 1.00 34.11 H new ATOM 0 HG13 ILE A 104 4.907 -3.542 -12.341 1.00 34.11 H new ATOM 0 HG21 ILE A 104 8.234 -4.742 -11.043 1.00 60.23 H new ATOM 0 HG22 ILE A 104 7.488 -6.060 -10.107 1.00 60.23 H new ATOM 0 HG23 ILE A 104 7.400 -6.070 -11.884 1.00 60.23 H new ATOM 0 HD11 ILE A 104 6.538 -1.796 -12.865 1.00 72.32 H new ATOM 0 HD12 ILE A 104 6.252 -1.879 -11.110 1.00 72.32 H new ATOM 0 HD13 ILE A 104 7.734 -2.578 -11.804 1.00 72.32 H new ATOM 1473 N SER A 105 5.400 -6.023 -8.536 1.00 60.30 N ATOM 1474 CA SER A 105 5.615 -6.829 -7.340 1.00 4.31 C ATOM 1475 C SER A 105 4.351 -6.883 -6.487 1.00 43.12 C ATOM 1476 O SER A 105 4.413 -7.112 -5.279 1.00 14.15 O ATOM 1477 CB SER A 105 6.774 -6.260 -6.518 1.00 51.02 C ATOM 1478 OG SER A 105 6.310 -5.324 -5.561 1.00 64.20 O ATOM 0 H SER A 105 5.512 -5.019 -8.394 1.00 60.30 H new ATOM 0 HA SER A 105 5.864 -7.842 -7.654 1.00 4.31 H new ATOM 0 HB2 SER A 105 7.298 -7.071 -6.013 1.00 51.02 H new ATOM 0 HB3 SER A 105 7.493 -5.780 -7.182 1.00 51.02 H new ATOM 0 HG SER A 105 5.760 -5.784 -4.893 1.00 64.20 H new ATOM 1483 N LEU A 106 3.205 -6.668 -7.125 1.00 24.21 N ATOM 1484 CA LEU A 106 1.925 -6.692 -6.427 1.00 24.33 C ATOM 1485 C LEU A 106 1.134 -7.946 -6.783 1.00 73.41 C ATOM 1486 O LEU A 106 1.353 -8.576 -7.819 1.00 43.53 O ATOM 1487 CB LEU A 106 1.109 -5.445 -6.774 1.00 0.04 C ATOM 1488 CG LEU A 106 1.509 -4.159 -6.050 1.00 63.42 C ATOM 1489 CD1 LEU A 106 0.897 -2.948 -6.737 1.00 41.25 C ATOM 1490 CD2 LEU A 106 1.088 -4.216 -4.590 1.00 0.51 C ATOM 0 H LEU A 106 3.137 -6.475 -8.124 1.00 24.21 H new ATOM 0 HA LEU A 106 2.124 -6.702 -5.355 1.00 24.33 H new ATOM 0 HB2 LEU A 106 1.185 -5.273 -7.848 1.00 0.04 H new ATOM 0 HB3 LEU A 106 0.060 -5.649 -6.557 1.00 0.04 H new ATOM 0 HG LEU A 106 2.594 -4.064 -6.090 1.00 63.42 H new ATOM 0 HD11 LEU A 106 1.192 -2.042 -6.208 1.00 41.25 H new ATOM 0 HD12 LEU A 106 1.249 -2.898 -7.767 1.00 41.25 H new ATOM 0 HD13 LEU A 106 -0.189 -3.035 -6.728 1.00 41.25 H new ATOM 0 HD21 LEU A 106 1.381 -3.292 -4.091 1.00 0.51 H new ATOM 0 HD22 LEU A 106 0.006 -4.335 -4.528 1.00 0.51 H new ATOM 0 HD23 LEU A 106 1.575 -5.061 -4.104 1.00 0.51 H new ATOM 1501 N PRO A 107 0.190 -8.320 -5.906 1.00 51.22 N ATOM 1502 CA PRO A 107 -0.655 -9.501 -6.107 1.00 74.44 C ATOM 1503 C PRO A 107 -1.650 -9.314 -7.248 1.00 73.40 C ATOM 1504 O PRO A 107 -2.018 -10.274 -7.927 1.00 53.13 O ATOM 1505 CB PRO A 107 -1.392 -9.641 -4.774 1.00 21.24 C ATOM 1506 CG PRO A 107 -1.406 -8.266 -4.202 1.00 23.03 C ATOM 1507 CD PRO A 107 -0.125 -7.618 -4.651 1.00 30.34 C ATOM 0 HA PRO A 107 -0.070 -10.379 -6.380 1.00 74.44 H new ATOM 0 HB2 PRO A 107 -2.404 -10.020 -4.919 1.00 21.24 H new ATOM 0 HB3 PRO A 107 -0.882 -10.340 -4.111 1.00 21.24 H new ATOM 0 HG2 PRO A 107 -2.272 -7.705 -4.555 1.00 23.03 H new ATOM 0 HG3 PRO A 107 -1.468 -8.296 -3.114 1.00 23.03 H new ATOM 0 HD2 PRO A 107 -0.251 -6.547 -4.810 1.00 30.34 H new ATOM 0 HD3 PRO A 107 0.667 -7.740 -3.913 1.00 30.34 H new ATOM 1512 N CYS A 108 -2.081 -8.074 -7.454 1.00 24.31 N ATOM 1513 CA CYS A 108 -3.033 -7.762 -8.514 1.00 12.22 C ATOM 1514 C CYS A 108 -3.219 -6.255 -8.650 1.00 42.41 C ATOM 1515 O CYS A 108 -2.788 -5.485 -7.790 1.00 41.22 O ATOM 1516 CB CYS A 108 -4.379 -8.430 -8.231 1.00 2.45 C ATOM 1517 SG CYS A 108 -5.275 -8.944 -9.714 1.00 73.44 S ATOM 0 H CYS A 108 -1.786 -7.269 -6.901 1.00 24.31 H new ATOM 0 HA CYS A 108 -2.634 -8.147 -9.452 1.00 12.22 H new ATOM 0 HB2 CYS A 108 -4.214 -9.303 -7.599 1.00 2.45 H new ATOM 0 HB3 CYS A 108 -5.003 -7.739 -7.664 1.00 2.45 H new ATOM 0 HG CYS A 108 -6.399 -9.500 -9.371 1.00 73.44 H new ATOM 1522 N CYS A 109 -3.862 -5.839 -9.737 1.00 4.50 N ATOM 1523 CA CYS A 109 -4.103 -4.422 -9.987 1.00 24.35 C ATOM 1524 C CYS A 109 -4.739 -3.755 -8.772 1.00 10.24 C ATOM 1525 O CYS A 109 -5.858 -4.089 -8.381 1.00 34.42 O ATOM 1526 CB CYS A 109 -5.003 -4.246 -11.211 1.00 12.01 C ATOM 1527 SG CYS A 109 -6.500 -5.261 -11.178 1.00 62.51 S ATOM 0 H CYS A 109 -4.225 -6.462 -10.458 1.00 4.50 H new ATOM 0 HA CYS A 109 -3.143 -3.943 -10.179 1.00 24.35 H new ATOM 0 HB2 CYS A 109 -5.289 -3.197 -11.290 1.00 12.01 H new ATOM 0 HB3 CYS A 109 -4.432 -4.489 -12.107 1.00 12.01 H new ATOM 0 HG CYS A 109 -6.973 -5.297 -9.968 1.00 62.51 H new ATOM 1532 N LEU A 110 -4.017 -2.813 -8.176 1.00 52.35 N ATOM 1533 CA LEU A 110 -4.510 -2.099 -7.003 1.00 41.33 C ATOM 1534 C LEU A 110 -5.908 -1.542 -7.252 1.00 12.45 C ATOM 1535 O LEU A 110 -6.179 -0.966 -8.305 1.00 61.00 O ATOM 1536 CB LEU A 110 -3.555 -0.962 -6.635 1.00 1.42 C ATOM 1537 CG LEU A 110 -2.505 -1.287 -5.571 1.00 64.11 C ATOM 1538 CD1 LEU A 110 -1.602 -0.086 -5.329 1.00 34.22 C ATOM 1539 CD2 LEU A 110 -3.174 -1.722 -4.276 1.00 73.02 C ATOM 0 H LEU A 110 -3.088 -2.526 -8.485 1.00 52.35 H new ATOM 0 HA LEU A 110 -4.562 -2.805 -6.174 1.00 41.33 H new ATOM 0 HB2 LEU A 110 -3.039 -0.640 -7.540 1.00 1.42 H new ATOM 0 HB3 LEU A 110 -4.147 -0.115 -6.287 1.00 1.42 H new ATOM 0 HG LEU A 110 -1.891 -2.111 -5.934 1.00 64.11 H new ATOM 0 HD11 LEU A 110 -0.861 -0.335 -4.569 1.00 34.22 H new ATOM 0 HD12 LEU A 110 -1.095 0.181 -6.256 1.00 34.22 H new ATOM 0 HD13 LEU A 110 -2.202 0.758 -4.988 1.00 34.22 H new ATOM 0 HD21 LEU A 110 -2.411 -1.949 -3.531 1.00 73.02 H new ATOM 0 HD22 LEU A 110 -3.812 -0.919 -3.909 1.00 73.02 H new ATOM 0 HD23 LEU A 110 -3.778 -2.611 -4.459 1.00 73.02 H new ATOM 1550 N ARG A 111 -6.792 -1.718 -6.274 1.00 61.43 N ATOM 1551 CA ARG A 111 -8.162 -1.232 -6.387 1.00 22.32 C ATOM 1552 C ARG A 111 -8.306 0.142 -5.740 1.00 54.41 C ATOM 1553 O ARG A 111 -7.906 0.344 -4.594 1.00 22.21 O ATOM 1554 CB ARG A 111 -9.131 -2.221 -5.734 1.00 41.45 C ATOM 1555 CG ARG A 111 -9.059 -3.621 -6.320 1.00 32.11 C ATOM 1556 CD ARG A 111 -9.536 -3.647 -7.763 1.00 41.23 C ATOM 1557 NE ARG A 111 -10.913 -3.176 -7.893 1.00 65.54 N ATOM 1558 CZ ARG A 111 -11.484 -2.890 -9.057 1.00 74.23 C ATOM 1559 NH1 ARG A 111 -10.803 -3.027 -10.187 1.00 2.12 N ATOM 1560 NH2 ARG A 111 -12.741 -2.466 -9.095 1.00 3.41 N ATOM 0 H ARG A 111 -6.584 -2.193 -5.396 1.00 61.43 H new ATOM 0 HA ARG A 111 -8.404 -1.142 -7.446 1.00 22.32 H new ATOM 0 HB2 ARG A 111 -8.920 -2.272 -4.666 1.00 41.45 H new ATOM 0 HB3 ARG A 111 -10.148 -1.844 -5.840 1.00 41.45 H new ATOM 0 HG2 ARG A 111 -8.033 -3.986 -6.268 1.00 32.11 H new ATOM 0 HG3 ARG A 111 -9.669 -4.298 -5.722 1.00 32.11 H new ATOM 0 HD2 ARG A 111 -8.881 -3.025 -8.373 1.00 41.23 H new ATOM 0 HD3 ARG A 111 -9.462 -4.663 -8.151 1.00 41.23 H new ATOM 0 HE ARG A 111 -11.466 -3.061 -7.043 1.00 65.54 H new ATOM 0 HH11 ARG A 111 -9.837 -3.353 -10.164 1.00 2.12 H new ATOM 0 HH12 ARG A 111 -11.246 -2.806 -11.079 1.00 2.12 H new ATOM 0 HH21 ARG A 111 -13.270 -2.359 -8.229 1.00 3.41 H new ATOM 0 HH22 ARG A 111 -13.178 -2.247 -9.990 1.00 3.41 H new