USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 Single : A 12 THR OG1 : rot 180:sc= -0.989 USER MOD Single : A 14 SER OG : rot -170:sc= -0.0315 USER MOD Single : A 19 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.0036) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -112:sc= -1.38! (180deg=-2.69!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0285 K(o=-0.028,f=-1.5!) USER MOD Single : A 30 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-1.5) USER MOD Single : A 34 CYS SG : rot 59:sc= -3.96! USER MOD Single : A 35 HIS : no HD1:sc= -3.15! C(o=-3.2!,f=-3!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0888 USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.0771 (180deg=-0.459) USER MOD Single : A 42 MET CE :methyl -121:sc=-0.00265 (180deg=-0.297) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.779 F(o=-1.9!,f=-0.78) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.589 F(o=-1.5,f=-0.59) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00477 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -106:sc= 0.44 USER MOD Single : A 68 THR OG1 : rot 36:sc= -2.94! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 6 7.503 2.550 26.412 1.00 0.00 N ATOM 84 CA VAL A 6 7.266 3.381 27.622 1.00 0.00 C ATOM 85 C VAL A 6 5.810 3.321 28.032 1.00 0.00 C ATOM 86 O VAL A 6 4.931 3.319 27.193 1.00 0.00 O ATOM 87 CB VAL A 6 7.609 4.841 27.296 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.121 5.031 27.354 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.110 5.174 25.890 1.00 0.00 C ATOM 0 HA VAL A 6 7.888 3.002 28.433 1.00 0.00 H new ATOM 0 HB VAL A 6 7.131 5.500 28.021 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.367 6.067 27.123 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.480 4.787 28.354 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.598 4.374 26.627 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.352 6.210 25.654 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.592 4.516 25.167 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.030 5.034 25.845 1.00 0.00 H new ATOM 99 N ILE A 7 5.573 3.279 29.317 1.00 0.00 N ATOM 100 CA ILE A 7 4.162 3.219 29.787 1.00 0.00 C ATOM 101 C ILE A 7 3.662 4.613 30.131 1.00 0.00 C ATOM 102 O ILE A 7 3.976 5.150 31.176 1.00 0.00 O ATOM 103 CB ILE A 7 4.092 2.344 31.036 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.700 0.980 30.742 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.613 2.148 31.410 1.00 0.00 C ATOM 106 CD1 ILE A 7 4.636 0.123 32.007 1.00 0.00 C ATOM 0 H ILE A 7 6.283 3.284 30.049 1.00 0.00 H new ATOM 0 HA ILE A 7 3.539 2.802 28.996 1.00 0.00 H new ATOM 0 HB ILE A 7 4.639 2.821 31.849 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.159 0.494 29.930 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.734 1.091 30.415 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.543 1.524 32.301 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.156 3.118 31.608 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.090 1.663 30.586 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.070 -0.856 31.805 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.196 0.610 32.805 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.597 0.004 32.313 1.00 0.00 H new ATOM 118 N GLU A 8 2.893 5.177 29.240 1.00 0.00 N ATOM 119 CA GLU A 8 2.361 6.535 29.491 1.00 0.00 C ATOM 120 C GLU A 8 1.290 6.511 30.575 1.00 0.00 C ATOM 121 O GLU A 8 0.236 5.936 30.392 1.00 0.00 O ATOM 122 CB GLU A 8 1.734 7.055 28.189 1.00 0.00 C ATOM 123 CG GLU A 8 2.806 7.109 27.101 1.00 0.00 C ATOM 124 CD GLU A 8 2.156 7.487 25.768 1.00 0.00 C ATOM 125 OE1 GLU A 8 2.439 6.789 24.810 1.00 0.00 O ATOM 126 OE2 GLU A 8 1.412 8.454 25.786 1.00 0.00 O ATOM 0 H GLU A 8 2.614 4.754 28.355 1.00 0.00 H new ATOM 0 HA GLU A 8 3.175 7.179 29.823 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.917 6.403 27.879 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.309 8.046 28.347 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.572 7.838 27.365 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.302 6.142 27.015 1.00 0.00 H new ATOM 133 N LEU A 9 1.589 7.137 31.689 1.00 0.00 N ATOM 134 CA LEU A 9 0.607 7.173 32.812 1.00 0.00 C ATOM 135 C LEU A 9 0.438 8.597 33.326 1.00 0.00 C ATOM 136 O LEU A 9 1.349 9.396 33.250 1.00 0.00 O ATOM 137 CB LEU A 9 1.142 6.303 33.959 1.00 0.00 C ATOM 138 CG LEU A 9 0.501 4.915 33.882 1.00 0.00 C ATOM 139 CD1 LEU A 9 1.117 4.014 34.957 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.004 5.040 34.133 1.00 0.00 C ATOM 0 H LEU A 9 2.469 7.622 31.866 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.355 6.803 32.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.227 6.220 33.892 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.917 6.768 34.919 1.00 0.00 H new ATOM 0 HG LEU A 9 0.676 4.484 32.896 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.663 3.024 34.906 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.191 3.930 34.790 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.936 4.446 35.941 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.465 4.054 34.079 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.174 5.466 35.122 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.446 5.689 33.377 1.00 0.00 H new ATOM 152 N GLU A 10 -0.728 8.888 33.844 1.00 0.00 N ATOM 153 CA GLU A 10 -0.977 10.258 34.368 1.00 0.00 C ATOM 154 C GLU A 10 -0.783 10.306 35.874 1.00 0.00 C ATOM 155 O GLU A 10 -1.100 9.363 36.572 1.00 0.00 O ATOM 156 CB GLU A 10 -2.429 10.642 34.045 1.00 0.00 C ATOM 157 CG GLU A 10 -2.570 10.855 32.535 1.00 0.00 C ATOM 158 CD GLU A 10 -3.985 11.353 32.225 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.904 10.673 32.652 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.066 12.384 31.579 1.00 0.00 O ATOM 0 H GLU A 10 -1.511 8.239 33.925 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.274 10.950 33.904 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.108 9.857 34.379 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.705 11.551 34.580 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.833 11.579 32.188 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.376 9.923 32.005 1.00 0.00 H new ATOM 167 N GLY A 11 -0.264 11.407 36.358 1.00 0.00 N ATOM 168 CA GLY A 11 -0.050 11.515 37.821 1.00 0.00 C ATOM 169 C GLY A 11 -0.129 12.966 38.260 1.00 0.00 C ATOM 170 O GLY A 11 -0.424 13.839 37.467 1.00 0.00 O ATOM 0 H GLY A 11 0.015 12.220 35.808 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.800 10.927 38.349 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.923 11.101 38.084 1.00 0.00 H new ATOM 174 N THR A 12 0.136 13.189 39.517 1.00 0.00 N ATOM 175 CA THR A 12 0.087 14.571 40.049 1.00 0.00 C ATOM 176 C THR A 12 1.350 14.878 40.823 1.00 0.00 C ATOM 177 O THR A 12 1.767 14.108 41.665 1.00 0.00 O ATOM 178 CB THR A 12 -1.110 14.679 40.998 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.183 15.129 40.200 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.896 15.803 42.023 1.00 0.00 C ATOM 0 H THR A 12 0.384 12.470 40.197 1.00 0.00 H new ATOM 0 HA THR A 12 -0.005 15.276 39.223 1.00 0.00 H new ATOM 0 HB THR A 12 -1.266 13.725 41.502 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.987 15.218 40.753 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.759 15.860 42.686 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.001 15.595 42.610 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.775 16.753 41.502 1.00 0.00 H new ATOM 188 N VAL A 13 1.947 15.998 40.533 1.00 0.00 N ATOM 189 CA VAL A 13 3.194 16.346 41.265 1.00 0.00 C ATOM 190 C VAL A 13 2.902 16.525 42.737 1.00 0.00 C ATOM 191 O VAL A 13 2.175 17.423 43.123 1.00 0.00 O ATOM 192 CB VAL A 13 3.756 17.651 40.706 1.00 0.00 C ATOM 193 CG1 VAL A 13 4.970 18.072 41.540 1.00 0.00 C ATOM 194 CG2 VAL A 13 4.193 17.423 39.267 1.00 0.00 C ATOM 0 H VAL A 13 1.635 16.675 39.837 1.00 0.00 H new ATOM 0 HA VAL A 13 3.917 15.540 41.139 1.00 0.00 H new ATOM 0 HB VAL A 13 2.995 18.431 40.744 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.377 19.004 41.146 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.666 18.218 42.577 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.732 17.294 41.491 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.596 18.349 38.858 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.960 16.649 39.238 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.336 17.107 38.672 1.00 0.00 H new ATOM 204 N SER A 14 3.484 15.673 43.540 1.00 0.00 N ATOM 205 CA SER A 14 3.248 15.777 44.997 1.00 0.00 C ATOM 206 C SER A 14 4.336 16.576 45.717 1.00 0.00 C ATOM 207 O SER A 14 4.041 17.308 46.641 1.00 0.00 O ATOM 208 CB SER A 14 3.217 14.356 45.577 1.00 0.00 C ATOM 209 OG SER A 14 4.325 13.707 44.972 1.00 0.00 O ATOM 0 H SER A 14 4.105 14.919 43.247 1.00 0.00 H new ATOM 0 HA SER A 14 2.305 16.302 45.148 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.307 14.367 46.663 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.281 13.850 45.340 1.00 0.00 H new ATOM 0 HG SER A 14 4.288 12.747 45.166 1.00 0.00 H new ATOM 215 N GLU A 15 5.575 16.428 45.300 1.00 0.00 N ATOM 216 CA GLU A 15 6.657 17.196 45.988 1.00 0.00 C ATOM 217 C GLU A 15 7.763 17.601 45.024 1.00 0.00 C ATOM 218 O GLU A 15 8.006 16.937 44.036 1.00 0.00 O ATOM 219 CB GLU A 15 7.263 16.296 47.079 1.00 0.00 C ATOM 220 CG GLU A 15 7.972 17.167 48.118 1.00 0.00 C ATOM 221 CD GLU A 15 8.297 16.319 49.350 1.00 0.00 C ATOM 222 OE1 GLU A 15 9.474 16.242 49.662 1.00 0.00 O ATOM 223 OE2 GLU A 15 7.347 15.798 49.912 1.00 0.00 O ATOM 0 H GLU A 15 5.875 15.825 44.534 1.00 0.00 H new ATOM 0 HA GLU A 15 6.224 18.104 46.408 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.480 15.706 47.556 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.968 15.592 46.636 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.887 17.584 47.697 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.338 18.008 48.398 1.00 0.00 H new ATOM 230 N ALA A 16 8.416 18.696 45.340 1.00 0.00 N ATOM 231 CA ALA A 16 9.515 19.178 44.468 1.00 0.00 C ATOM 232 C ALA A 16 10.867 18.801 45.057 1.00 0.00 C ATOM 233 O ALA A 16 11.121 19.036 46.223 1.00 0.00 O ATOM 234 CB ALA A 16 9.425 20.710 44.374 1.00 0.00 C ATOM 0 H ALA A 16 8.230 19.269 46.163 1.00 0.00 H new ATOM 0 HA ALA A 16 9.419 18.721 43.483 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.226 21.083 43.736 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.462 20.993 43.949 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.523 21.142 45.370 1.00 0.00 H new ATOM 240 N LEU A 17 11.709 18.222 44.233 1.00 0.00 N ATOM 241 CA LEU A 17 13.058 17.811 44.709 1.00 0.00 C ATOM 242 C LEU A 17 14.159 18.485 43.879 1.00 0.00 C ATOM 243 O LEU A 17 13.958 18.804 42.726 1.00 0.00 O ATOM 244 CB LEU A 17 13.176 16.290 44.527 1.00 0.00 C ATOM 245 CG LEU A 17 11.959 15.620 45.159 1.00 0.00 C ATOM 246 CD1 LEU A 17 11.827 14.202 44.615 1.00 0.00 C ATOM 247 CD2 LEU A 17 12.150 15.562 46.672 1.00 0.00 C ATOM 0 H LEU A 17 11.515 18.019 43.252 1.00 0.00 H new ATOM 0 HA LEU A 17 13.177 18.104 45.752 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.236 16.041 43.468 1.00 0.00 H new ATOM 0 HB3 LEU A 17 14.091 15.925 44.992 1.00 0.00 H new ATOM 0 HG LEU A 17 11.060 16.189 44.922 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.959 13.719 45.064 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.703 14.238 43.533 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.725 13.634 44.859 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.284 15.084 47.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.046 14.987 46.904 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.256 16.573 47.064 1.00 0.00 H new ATOM 259 N PRO A 18 15.311 18.705 44.497 1.00 0.00 N ATOM 260 CA PRO A 18 16.434 19.336 43.812 1.00 0.00 C ATOM 261 C PRO A 18 16.884 18.505 42.627 1.00 0.00 C ATOM 262 O PRO A 18 16.133 17.733 42.088 1.00 0.00 O ATOM 263 CB PRO A 18 17.565 19.389 44.861 1.00 0.00 C ATOM 264 CG PRO A 18 17.028 18.709 46.158 1.00 0.00 C ATOM 265 CD PRO A 18 15.554 18.358 45.909 1.00 0.00 C ATOM 0 HA PRO A 18 16.164 20.320 43.430 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.452 18.872 44.496 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.856 20.420 45.060 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.603 17.813 46.389 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.125 19.379 47.012 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.364 17.301 46.094 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.897 18.921 46.572 1.00 0.00 H new ATOM 273 N ASN A 19 18.101 18.687 42.248 1.00 0.00 N ATOM 274 CA ASN A 19 18.633 17.923 41.103 1.00 0.00 C ATOM 275 C ASN A 19 17.667 17.930 39.914 1.00 0.00 C ATOM 276 O ASN A 19 17.831 17.172 38.978 1.00 0.00 O ATOM 277 CB ASN A 19 18.860 16.474 41.551 1.00 0.00 C ATOM 278 CG ASN A 19 20.016 16.428 42.553 1.00 0.00 C ATOM 279 OD1 ASN A 19 19.914 15.835 43.607 1.00 0.00 O ATOM 280 ND2 ASN A 19 21.131 17.041 42.263 1.00 0.00 N ATOM 0 H ASN A 19 18.757 19.336 42.683 1.00 0.00 H new ATOM 0 HA ASN A 19 19.564 18.390 40.781 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.953 16.076 42.006 1.00 0.00 H new ATOM 0 HB3 ASN A 19 19.086 15.846 40.689 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.910 17.020 42.921 1.00 0.00 H new ATOM 0 HD22 ASN A 19 21.223 17.541 41.379 1.00 0.00 H new ATOM 287 N ALA A 20 16.683 18.783 39.971 1.00 0.00 N ATOM 288 CA ALA A 20 15.700 18.855 38.850 1.00 0.00 C ATOM 289 C ALA A 20 14.768 17.628 38.789 1.00 0.00 C ATOM 290 O ALA A 20 14.500 17.110 37.718 1.00 0.00 O ATOM 291 CB ALA A 20 16.493 18.939 37.533 1.00 0.00 C ATOM 0 H ALA A 20 16.516 19.431 40.740 1.00 0.00 H new ATOM 0 HA ALA A 20 15.069 19.730 39.010 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.800 18.993 36.694 1.00 0.00 H new ATOM 0 HB2 ALA A 20 17.121 19.830 37.543 1.00 0.00 H new ATOM 0 HB3 ALA A 20 17.120 18.054 37.429 1.00 0.00 H new ATOM 297 N MET A 21 14.286 17.196 39.932 1.00 0.00 N ATOM 298 CA MET A 21 13.382 16.028 39.958 1.00 0.00 C ATOM 299 C MET A 21 12.252 16.292 40.934 1.00 0.00 C ATOM 300 O MET A 21 12.277 17.251 41.674 1.00 0.00 O ATOM 301 CB MET A 21 14.159 14.773 40.410 1.00 0.00 C ATOM 302 CG MET A 21 15.369 15.183 41.244 1.00 0.00 C ATOM 303 SD MET A 21 16.493 13.870 41.778 1.00 0.00 S ATOM 304 CE MET A 21 16.141 13.972 43.550 1.00 0.00 C ATOM 0 H MET A 21 14.487 17.610 40.842 1.00 0.00 H new ATOM 0 HA MET A 21 12.979 15.863 38.959 1.00 0.00 H new ATOM 0 HB2 MET A 21 13.508 14.122 40.994 1.00 0.00 H new ATOM 0 HB3 MET A 21 14.483 14.202 39.540 1.00 0.00 H new ATOM 0 HG2 MET A 21 15.946 15.907 40.668 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.007 15.699 42.133 1.00 0.00 H new ATOM 0 HE1 MET A 21 16.740 13.233 44.083 1.00 0.00 H new ATOM 0 HE2 MET A 21 16.388 14.970 43.913 1.00 0.00 H new ATOM 0 HE3 MET A 21 15.083 13.775 43.723 1.00 0.00 H new ATOM 314 N PHE A 22 11.291 15.445 40.919 1.00 0.00 N ATOM 315 CA PHE A 22 10.144 15.628 41.840 1.00 0.00 C ATOM 316 C PHE A 22 9.352 14.342 42.036 1.00 0.00 C ATOM 317 O PHE A 22 9.512 13.380 41.311 1.00 0.00 O ATOM 318 CB PHE A 22 9.184 16.704 41.264 1.00 0.00 C ATOM 319 CG PHE A 22 9.147 16.681 39.714 1.00 0.00 C ATOM 320 CD1 PHE A 22 8.680 17.790 39.028 1.00 0.00 C ATOM 321 CD2 PHE A 22 9.572 15.578 38.980 1.00 0.00 C ATOM 322 CE1 PHE A 22 8.639 17.796 37.651 1.00 0.00 C ATOM 323 CE2 PHE A 22 9.530 15.601 37.605 1.00 0.00 C ATOM 324 CZ PHE A 22 9.065 16.707 36.948 1.00 0.00 C ATOM 0 H PHE A 22 11.239 14.628 40.311 1.00 0.00 H new ATOM 0 HA PHE A 22 10.551 15.935 42.804 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.179 16.539 41.653 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.499 17.690 41.604 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.345 18.657 39.577 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.937 14.700 39.492 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.269 18.665 37.127 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.865 14.742 37.042 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.035 16.718 35.868 1.00 0.00 H new ATOM 334 N LYS A 23 8.519 14.350 43.038 1.00 0.00 N ATOM 335 CA LYS A 23 7.697 13.158 43.318 1.00 0.00 C ATOM 336 C LYS A 23 6.324 13.349 42.693 1.00 0.00 C ATOM 337 O LYS A 23 5.753 14.419 42.785 1.00 0.00 O ATOM 338 CB LYS A 23 7.544 13.025 44.843 1.00 0.00 C ATOM 339 CG LYS A 23 6.961 11.649 45.174 1.00 0.00 C ATOM 340 CD LYS A 23 6.430 11.653 46.613 1.00 0.00 C ATOM 341 CE LYS A 23 7.455 10.982 47.524 1.00 0.00 C ATOM 342 NZ LYS A 23 7.853 9.656 46.975 1.00 0.00 N ATOM 0 H LYS A 23 8.377 15.136 43.672 1.00 0.00 H new ATOM 0 HA LYS A 23 8.166 12.264 42.906 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.511 13.150 45.329 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.892 13.811 45.225 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.157 11.406 44.479 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.726 10.881 45.059 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.245 12.675 46.943 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.478 11.125 46.664 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.334 11.619 47.624 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.036 10.858 48.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.499 8.902 47.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.448 9.538 46.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.890 9.601 46.919 1.00 0.00 H new ATOM 356 N VAL A 24 5.814 12.316 42.066 1.00 0.00 N ATOM 357 CA VAL A 24 4.472 12.434 41.428 1.00 0.00 C ATOM 358 C VAL A 24 3.570 11.294 41.840 1.00 0.00 C ATOM 359 O VAL A 24 4.013 10.176 41.999 1.00 0.00 O ATOM 360 CB VAL A 24 4.659 12.389 39.908 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.290 12.326 39.230 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.382 13.654 39.451 1.00 0.00 C ATOM 0 H VAL A 24 6.266 11.407 41.971 1.00 0.00 H new ATOM 0 HA VAL A 24 4.011 13.370 41.744 1.00 0.00 H new ATOM 0 HB VAL A 24 5.245 11.510 39.639 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.421 12.294 38.148 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.762 11.431 39.558 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.710 13.209 39.499 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.517 13.626 38.370 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.790 14.529 39.720 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.356 13.712 39.937 1.00 0.00 H new ATOM 372 N LYS A 25 2.314 11.604 42.003 1.00 0.00 N ATOM 373 CA LYS A 25 1.340 10.555 42.408 1.00 0.00 C ATOM 374 C LYS A 25 0.502 10.093 41.221 1.00 0.00 C ATOM 375 O LYS A 25 -0.210 10.873 40.620 1.00 0.00 O ATOM 376 CB LYS A 25 0.400 11.153 43.466 1.00 0.00 C ATOM 377 CG LYS A 25 1.092 11.127 44.832 1.00 0.00 C ATOM 378 CD LYS A 25 0.125 11.659 45.895 1.00 0.00 C ATOM 379 CE LYS A 25 0.801 11.592 47.268 1.00 0.00 C ATOM 380 NZ LYS A 25 -0.186 11.871 48.350 1.00 0.00 N ATOM 0 H LYS A 25 1.921 12.536 41.873 1.00 0.00 H new ATOM 0 HA LYS A 25 1.888 9.698 42.800 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.137 12.176 43.198 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.529 10.585 43.506 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.399 10.111 45.078 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.996 11.736 44.807 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.158 12.686 45.665 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.792 11.069 45.898 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.242 10.606 47.415 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.615 12.315 47.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.289 11.822 49.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.587 12.821 48.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.949 11.165 48.315 1.00 0.00 H new ATOM 394 N LEU A 26 0.605 8.829 40.901 1.00 0.00 N ATOM 395 CA LEU A 26 -0.171 8.300 39.767 1.00 0.00 C ATOM 396 C LEU A 26 -1.641 8.159 40.137 1.00 0.00 C ATOM 397 O LEU A 26 -2.008 8.268 41.290 1.00 0.00 O ATOM 398 CB LEU A 26 0.388 6.916 39.412 1.00 0.00 C ATOM 399 CG LEU A 26 1.894 7.042 39.145 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.664 7.008 40.469 1.00 0.00 C ATOM 401 CD2 LEU A 26 2.349 5.874 38.266 1.00 0.00 C ATOM 0 H LEU A 26 1.195 8.150 41.382 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.091 8.986 38.923 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.207 6.216 40.228 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.119 6.519 38.533 1.00 0.00 H new ATOM 0 HG LEU A 26 2.092 7.987 38.639 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.732 7.098 40.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.341 7.836 41.099 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.468 6.065 40.980 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.418 5.959 38.073 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.146 4.933 38.777 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.807 5.897 37.321 1.00 0.00 H new ATOM 413 N GLU A 27 -2.454 7.916 39.151 1.00 0.00 N ATOM 414 CA GLU A 27 -3.899 7.763 39.418 1.00 0.00 C ATOM 415 C GLU A 27 -4.149 6.495 40.222 1.00 0.00 C ATOM 416 O GLU A 27 -5.177 6.342 40.853 1.00 0.00 O ATOM 417 CB GLU A 27 -4.622 7.673 38.056 1.00 0.00 C ATOM 418 CG GLU A 27 -5.810 6.718 38.159 1.00 0.00 C ATOM 419 CD GLU A 27 -6.628 6.786 36.869 1.00 0.00 C ATOM 420 OE1 GLU A 27 -7.840 6.834 37.000 1.00 0.00 O ATOM 421 OE2 GLU A 27 -5.996 6.790 35.827 1.00 0.00 O ATOM 0 H GLU A 27 -2.177 7.818 38.174 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.271 8.611 39.993 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.965 8.662 37.751 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.930 7.325 37.289 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.459 5.700 38.327 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.433 6.985 39.012 1.00 0.00 H new ATOM 428 N ASN A 28 -3.198 5.611 40.189 1.00 0.00 N ATOM 429 CA ASN A 28 -3.354 4.350 40.939 1.00 0.00 C ATOM 430 C ASN A 28 -3.322 4.616 42.442 1.00 0.00 C ATOM 431 O ASN A 28 -3.718 3.779 43.231 1.00 0.00 O ATOM 432 CB ASN A 28 -2.189 3.428 40.568 1.00 0.00 C ATOM 433 CG ASN A 28 -2.303 3.027 39.097 1.00 0.00 C ATOM 434 OD1 ASN A 28 -3.250 3.367 38.419 1.00 0.00 O ATOM 435 ND2 ASN A 28 -1.359 2.299 38.567 1.00 0.00 N ATOM 0 H ASN A 28 -2.323 5.710 39.675 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.310 3.890 40.687 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.240 3.934 40.745 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.199 2.540 41.200 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.420 2.019 37.588 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.560 2.010 39.132 1.00 0.00 H new ATOM 442 N GLY A 29 -2.846 5.782 42.807 1.00 0.00 N ATOM 443 CA GLY A 29 -2.776 6.136 44.258 1.00 0.00 C ATOM 444 C GLY A 29 -1.338 6.041 44.776 1.00 0.00 C ATOM 445 O GLY A 29 -1.046 6.473 45.874 1.00 0.00 O ATOM 0 H GLY A 29 -2.505 6.499 42.167 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.155 7.147 44.408 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.418 5.467 44.831 1.00 0.00 H new ATOM 449 N HIS A 30 -0.470 5.476 43.982 1.00 0.00 N ATOM 450 CA HIS A 30 0.941 5.352 44.425 1.00 0.00 C ATOM 451 C HIS A 30 1.763 6.553 43.983 1.00 0.00 C ATOM 452 O HIS A 30 1.262 7.438 43.315 1.00 0.00 O ATOM 453 CB HIS A 30 1.529 4.090 43.794 1.00 0.00 C ATOM 454 CG HIS A 30 0.500 2.970 43.885 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.187 2.550 42.934 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.116 2.220 44.977 1.00 0.00 C ATOM 457 CE1 HIS A 30 -0.961 1.616 43.300 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.838 1.331 44.595 1.00 0.00 N ATOM 0 H HIS A 30 -0.676 5.100 43.057 1.00 0.00 H new ATOM 0 HA HIS A 30 0.969 5.300 45.513 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.793 4.276 42.753 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.446 3.803 44.309 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.511 2.323 45.977 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.644 1.108 42.636 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.329 0.632 45.152 1.00 0.00 H new ATOM 466 N GLU A 31 3.019 6.560 44.372 1.00 0.00 N ATOM 467 CA GLU A 31 3.903 7.684 43.993 1.00 0.00 C ATOM 468 C GLU A 31 5.228 7.174 43.458 1.00 0.00 C ATOM 469 O GLU A 31 5.779 6.216 43.965 1.00 0.00 O ATOM 470 CB GLU A 31 4.164 8.554 45.239 1.00 0.00 C ATOM 471 CG GLU A 31 4.947 7.743 46.272 1.00 0.00 C ATOM 472 CD GLU A 31 4.707 8.330 47.665 1.00 0.00 C ATOM 473 OE1 GLU A 31 3.584 8.195 48.123 1.00 0.00 O ATOM 474 OE2 GLU A 31 5.660 8.881 48.193 1.00 0.00 O ATOM 0 H GLU A 31 3.459 5.832 44.935 1.00 0.00 H new ATOM 0 HA GLU A 31 3.415 8.267 43.212 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.724 9.447 44.961 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.219 8.890 45.665 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.633 6.700 46.246 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.011 7.762 46.035 1.00 0.00 H new ATOM 481 N ILE A 32 5.713 7.827 42.433 1.00 0.00 N ATOM 482 CA ILE A 32 7.005 7.410 41.832 1.00 0.00 C ATOM 483 C ILE A 32 7.884 8.619 41.578 1.00 0.00 C ATOM 484 O ILE A 32 7.454 9.743 41.745 1.00 0.00 O ATOM 485 CB ILE A 32 6.715 6.720 40.515 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.914 5.438 40.759 1.00 0.00 C ATOM 487 CG2 ILE A 32 8.049 6.360 39.828 1.00 0.00 C ATOM 488 CD1 ILE A 32 6.855 4.303 41.190 1.00 0.00 C ATOM 0 H ILE A 32 5.267 8.630 41.990 1.00 0.00 H new ATOM 0 HA ILE A 32 7.525 6.738 42.514 1.00 0.00 H new ATOM 0 HB ILE A 32 6.135 7.389 39.880 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.162 5.610 41.529 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.381 5.154 39.851 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.847 5.863 38.879 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.622 7.269 39.647 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.622 5.693 40.472 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.276 3.396 41.361 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.590 4.122 40.406 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.368 4.585 42.110 1.00 0.00 H new ATOM 500 N LEU A 33 9.099 8.376 41.178 1.00 0.00 N ATOM 501 CA LEU A 33 10.006 9.501 40.913 1.00 0.00 C ATOM 502 C LEU A 33 9.908 9.934 39.464 1.00 0.00 C ATOM 503 O LEU A 33 9.704 9.118 38.587 1.00 0.00 O ATOM 504 CB LEU A 33 11.440 9.041 41.203 1.00 0.00 C ATOM 505 CG LEU A 33 11.580 8.751 42.700 1.00 0.00 C ATOM 506 CD1 LEU A 33 12.745 7.783 42.918 1.00 0.00 C ATOM 507 CD2 LEU A 33 11.864 10.058 43.442 1.00 0.00 C ATOM 0 H LEU A 33 9.493 7.448 41.026 1.00 0.00 H new ATOM 0 HA LEU A 33 9.732 10.344 41.547 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.673 8.148 40.624 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.150 9.811 40.901 1.00 0.00 H new ATOM 0 HG LEU A 33 10.658 8.308 43.077 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.849 7.573 43.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.551 6.854 42.382 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.666 8.232 42.545 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.964 9.857 44.508 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.789 10.496 43.067 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.041 10.754 43.280 1.00 0.00 H new ATOM 519 N CYS A 34 10.046 11.212 39.239 1.00 0.00 N ATOM 520 CA CYS A 34 9.966 11.731 37.850 1.00 0.00 C ATOM 521 C CYS A 34 11.086 12.721 37.596 1.00 0.00 C ATOM 522 O CYS A 34 11.566 13.356 38.513 1.00 0.00 O ATOM 523 CB CYS A 34 8.619 12.451 37.684 1.00 0.00 C ATOM 524 SG CYS A 34 7.121 11.440 37.762 1.00 0.00 S ATOM 0 H CYS A 34 10.210 11.916 39.958 1.00 0.00 H new ATOM 0 HA CYS A 34 10.056 10.905 37.144 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.549 13.217 38.456 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.628 12.966 36.723 1.00 0.00 H new ATOM 0 HG CYS A 34 7.068 10.831 38.909 1.00 0.00 H new ATOM 530 N HIS A 35 11.494 12.829 36.354 1.00 0.00 N ATOM 531 CA HIS A 35 12.590 13.783 36.021 1.00 0.00 C ATOM 532 C HIS A 35 12.187 14.706 34.880 1.00 0.00 C ATOM 533 O HIS A 35 11.438 14.323 34.000 1.00 0.00 O ATOM 534 CB HIS A 35 13.819 12.973 35.582 1.00 0.00 C ATOM 535 CG HIS A 35 14.945 13.932 35.188 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.417 14.046 34.039 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.649 14.832 35.965 1.00 0.00 C ATOM 538 CE1 HIS A 35 16.341 14.914 33.998 1.00 0.00 C ATOM 539 NE2 HIS A 35 16.563 15.473 35.188 1.00 0.00 N ATOM 0 H HIS A 35 11.118 12.302 35.566 1.00 0.00 H new ATOM 0 HA HIS A 35 12.806 14.390 36.900 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.148 12.322 36.392 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.563 12.330 34.740 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.498 15.000 37.021 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.886 15.171 33.102 1.00 0.00 H new ATOM 0 HE2 HIS A 35 17.239 16.191 35.447 1.00 0.00 H new ATOM 547 N ILE A 36 12.687 15.912 34.921 1.00 0.00 N ATOM 548 CA ILE A 36 12.350 16.875 33.855 1.00 0.00 C ATOM 549 C ILE A 36 13.306 16.728 32.684 1.00 0.00 C ATOM 550 O ILE A 36 14.331 16.084 32.798 1.00 0.00 O ATOM 551 CB ILE A 36 12.470 18.282 34.426 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.270 18.568 35.306 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.482 19.293 33.266 1.00 0.00 C ATOM 554 CD1 ILE A 36 11.625 19.678 36.297 1.00 0.00 C ATOM 0 H ILE A 36 13.311 16.263 35.647 1.00 0.00 H new ATOM 0 HA ILE A 36 11.336 16.686 33.502 1.00 0.00 H new ATOM 0 HB ILE A 36 13.387 18.365 35.009 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.419 18.869 34.695 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.974 17.666 35.842 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.568 20.304 33.665 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.330 19.088 32.613 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.557 19.205 32.697 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.764 19.887 36.932 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.464 19.359 36.916 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.900 20.580 35.750 1.00 0.00 H new ATOM 566 N SER A 37 12.964 17.325 31.580 1.00 0.00 N ATOM 567 CA SER A 37 13.850 17.219 30.408 1.00 0.00 C ATOM 568 C SER A 37 13.678 18.408 29.474 1.00 0.00 C ATOM 569 O SER A 37 12.672 19.086 29.501 1.00 0.00 O ATOM 570 CB SER A 37 13.487 15.935 29.646 1.00 0.00 C ATOM 571 OG SER A 37 12.068 15.942 29.609 1.00 0.00 O ATOM 0 H SER A 37 12.116 17.875 31.445 1.00 0.00 H new ATOM 0 HA SER A 37 14.885 17.200 30.750 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.912 15.934 28.642 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.868 15.049 30.154 1.00 0.00 H new ATOM 0 HG SER A 37 11.749 15.147 29.133 1.00 0.00 H new ATOM 577 N GLY A 38 14.671 18.633 28.663 1.00 0.00 N ATOM 578 CA GLY A 38 14.602 19.772 27.710 1.00 0.00 C ATOM 579 C GLY A 38 13.294 19.729 26.918 1.00 0.00 C ATOM 580 O GLY A 38 13.008 20.619 26.142 1.00 0.00 O ATOM 0 H GLY A 38 15.526 18.079 28.619 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.674 20.714 28.254 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.450 19.733 27.026 1.00 0.00 H new ATOM 584 N LYS A 39 12.527 18.692 27.119 1.00 0.00 N ATOM 585 CA LYS A 39 11.249 18.592 26.383 1.00 0.00 C ATOM 586 C LYS A 39 10.337 19.735 26.752 1.00 0.00 C ATOM 587 O LYS A 39 9.963 20.527 25.910 1.00 0.00 O ATOM 588 CB LYS A 39 10.565 17.264 26.755 1.00 0.00 C ATOM 589 CG LYS A 39 11.078 16.157 25.832 1.00 0.00 C ATOM 590 CD LYS A 39 10.350 16.245 24.488 1.00 0.00 C ATOM 591 CE LYS A 39 9.086 15.384 24.544 1.00 0.00 C ATOM 592 NZ LYS A 39 9.440 13.936 24.555 1.00 0.00 N ATOM 0 H LYS A 39 12.732 17.921 27.755 1.00 0.00 H new ATOM 0 HA LYS A 39 11.450 18.632 25.312 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.774 17.013 27.795 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.483 17.360 26.661 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.153 16.259 25.684 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.910 15.181 26.287 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.090 17.281 24.269 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.002 15.903 23.684 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.510 15.630 25.436 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.452 15.603 23.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.660 13.385 24.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.303 13.785 23.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.605 13.626 25.534 1.00 0.00 H new ATOM 606 N LEU A 40 9.989 19.811 27.998 1.00 0.00 N ATOM 607 CA LEU A 40 9.104 20.905 28.418 1.00 0.00 C ATOM 608 C LEU A 40 9.670 22.222 27.939 1.00 0.00 C ATOM 609 O LEU A 40 8.961 23.204 27.815 1.00 0.00 O ATOM 610 CB LEU A 40 9.032 20.924 29.953 1.00 0.00 C ATOM 611 CG LEU A 40 8.796 19.507 30.484 1.00 0.00 C ATOM 612 CD1 LEU A 40 8.365 19.588 31.949 1.00 0.00 C ATOM 613 CD2 LEU A 40 7.683 18.838 29.683 1.00 0.00 C ATOM 0 H LEU A 40 10.279 19.167 28.734 1.00 0.00 H new ATOM 0 HA LEU A 40 8.110 20.757 27.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.958 21.326 30.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.227 21.582 30.279 1.00 0.00 H new ATOM 0 HG LEU A 40 9.715 18.928 30.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.195 18.583 32.334 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.148 20.073 32.532 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.444 20.167 32.026 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.517 17.830 30.063 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.765 19.418 29.780 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.970 18.787 28.633 1.00 0.00 H new ATOM 625 N ARG A 41 10.944 22.225 27.674 1.00 0.00 N ATOM 626 CA ARG A 41 11.576 23.464 27.202 1.00 0.00 C ATOM 627 C ARG A 41 11.370 23.594 25.710 1.00 0.00 C ATOM 628 O ARG A 41 11.370 24.680 25.166 1.00 0.00 O ATOM 629 CB ARG A 41 13.080 23.397 27.503 1.00 0.00 C ATOM 630 CG ARG A 41 13.374 24.209 28.764 1.00 0.00 C ATOM 631 CD ARG A 41 13.439 25.694 28.401 1.00 0.00 C ATOM 632 NE ARG A 41 14.606 25.923 27.502 1.00 0.00 N ATOM 633 CZ ARG A 41 15.014 27.143 27.279 1.00 0.00 C ATOM 634 NH1 ARG A 41 15.791 27.370 26.256 1.00 0.00 N ATOM 635 NH2 ARG A 41 14.630 28.093 28.085 1.00 0.00 N ATOM 0 H ARG A 41 11.565 21.421 27.766 1.00 0.00 H new ATOM 0 HA ARG A 41 11.133 24.323 27.706 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.390 22.361 27.642 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.650 23.790 26.661 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.598 24.038 29.510 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.317 23.889 29.206 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.517 26.002 27.907 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.534 26.298 29.303 1.00 0.00 H new ATOM 0 HE ARG A 41 15.082 25.134 27.065 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.070 26.601 25.647 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.120 28.317 26.066 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.021 27.877 28.874 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.939 29.052 27.926 1.00 0.00 H new ATOM 649 N MET A 42 11.197 22.469 25.073 1.00 0.00 N ATOM 650 CA MET A 42 10.986 22.479 23.622 1.00 0.00 C ATOM 651 C MET A 42 9.501 22.588 23.306 1.00 0.00 C ATOM 652 O MET A 42 9.123 22.994 22.224 1.00 0.00 O ATOM 653 CB MET A 42 11.525 21.161 23.046 1.00 0.00 C ATOM 654 CG MET A 42 11.913 21.373 21.582 1.00 0.00 C ATOM 655 SD MET A 42 12.047 19.901 20.537 1.00 0.00 S ATOM 656 CE MET A 42 10.280 19.528 20.446 1.00 0.00 C ATOM 0 H MET A 42 11.195 21.546 25.508 1.00 0.00 H new ATOM 0 HA MET A 42 11.503 23.333 23.184 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.390 20.827 23.619 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.769 20.380 23.125 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.178 22.041 21.132 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.871 21.892 21.559 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.098 18.529 20.842 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.723 20.258 21.033 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.952 19.572 19.407 1.00 0.00 H new ATOM 666 N ASN A 43 8.677 22.221 24.263 1.00 0.00 N ATOM 667 CA ASN A 43 7.215 22.300 24.031 1.00 0.00 C ATOM 668 C ASN A 43 6.660 23.632 24.524 1.00 0.00 C ATOM 669 O ASN A 43 5.469 23.862 24.484 1.00 0.00 O ATOM 670 CB ASN A 43 6.539 21.161 24.812 1.00 0.00 C ATOM 671 CG ASN A 43 5.164 20.874 24.206 1.00 0.00 C ATOM 672 OD1 ASN A 43 4.637 21.745 23.391 1.00 0.00 O flip ATOM 673 ND2 ASN A 43 4.559 19.853 24.469 1.00 0.00 N flip ATOM 0 H ASN A 43 8.959 21.876 25.180 1.00 0.00 H new ATOM 0 HA ASN A 43 7.017 22.214 22.963 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.158 20.264 24.777 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.436 21.437 25.862 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.967 19.168 25.106 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.644 19.681 24.053 1.00 0.00 H new ATOM 680 N PHE A 44 7.538 24.489 24.979 1.00 0.00 N ATOM 681 CA PHE A 44 7.081 25.811 25.480 1.00 0.00 C ATOM 682 C PHE A 44 5.973 25.643 26.510 1.00 0.00 C ATOM 683 O PHE A 44 4.844 26.029 26.281 1.00 0.00 O ATOM 684 CB PHE A 44 6.537 26.621 24.291 1.00 0.00 C ATOM 685 CG PHE A 44 7.625 26.740 23.223 1.00 0.00 C ATOM 686 CD1 PHE A 44 8.388 27.889 23.127 1.00 0.00 C ATOM 687 CD2 PHE A 44 7.865 25.696 22.344 1.00 0.00 C ATOM 688 CE1 PHE A 44 9.376 27.992 22.169 1.00 0.00 C ATOM 689 CE2 PHE A 44 8.853 25.804 21.387 1.00 0.00 C ATOM 690 CZ PHE A 44 9.607 26.951 21.301 1.00 0.00 C ATOM 0 H PHE A 44 8.544 24.328 25.024 1.00 0.00 H new ATOM 0 HA PHE A 44 7.920 26.324 25.950 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.655 26.133 23.876 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.226 27.612 24.622 1.00 0.00 H new ATOM 0 HD1 PHE A 44 8.210 28.710 23.805 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.276 24.793 22.408 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.969 28.892 22.101 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.034 24.987 20.705 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.380 27.034 20.552 1.00 0.00 H new ATOM 700 N ILE A 45 6.319 25.071 27.634 1.00 0.00 N ATOM 701 CA ILE A 45 5.308 24.866 28.690 1.00 0.00 C ATOM 702 C ILE A 45 5.929 24.996 30.078 1.00 0.00 C ATOM 703 O ILE A 45 7.136 24.984 30.222 1.00 0.00 O ATOM 704 CB ILE A 45 4.738 23.457 28.537 1.00 0.00 C ATOM 705 CG1 ILE A 45 3.744 23.426 27.385 1.00 0.00 C ATOM 706 CG2 ILE A 45 4.003 23.079 29.832 1.00 0.00 C ATOM 707 CD1 ILE A 45 3.230 21.996 27.199 1.00 0.00 C ATOM 0 H ILE A 45 7.258 24.741 27.858 1.00 0.00 H new ATOM 0 HA ILE A 45 4.530 25.622 28.588 1.00 0.00 H new ATOM 0 HB ILE A 45 5.549 22.756 28.338 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.912 24.100 27.589 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.220 23.776 26.469 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.591 22.075 29.736 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.702 23.106 30.668 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.194 23.788 30.011 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.518 21.970 26.374 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.067 21.335 26.976 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.739 21.664 28.114 1.00 0.00 H new ATOM 719 N ARG A 46 5.082 25.125 31.073 1.00 0.00 N ATOM 720 CA ARG A 46 5.582 25.257 32.463 1.00 0.00 C ATOM 721 C ARG A 46 4.812 24.331 33.394 1.00 0.00 C ATOM 722 O ARG A 46 3.615 24.171 33.255 1.00 0.00 O ATOM 723 CB ARG A 46 5.370 26.708 32.926 1.00 0.00 C ATOM 724 CG ARG A 46 6.202 26.958 34.189 1.00 0.00 C ATOM 725 CD ARG A 46 5.789 28.296 34.808 1.00 0.00 C ATOM 726 NE ARG A 46 5.981 29.376 33.801 1.00 0.00 N ATOM 727 CZ ARG A 46 7.140 29.970 33.711 1.00 0.00 C ATOM 728 NH1 ARG A 46 7.768 30.296 34.808 1.00 0.00 N ATOM 729 NH2 ARG A 46 7.630 30.221 32.529 1.00 0.00 N ATOM 0 H ARG A 46 4.067 25.144 30.974 1.00 0.00 H new ATOM 0 HA ARG A 46 6.639 24.992 32.489 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.665 27.401 32.138 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.314 26.887 33.130 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.050 26.150 34.905 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.264 26.970 33.943 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.747 28.258 35.125 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.386 28.500 35.697 1.00 0.00 H new ATOM 0 HE ARG A 46 5.214 29.649 33.187 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.352 30.086 35.715 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.675 30.761 34.758 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.109 29.954 31.694 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.534 30.684 32.440 1.00 0.00 H new ATOM 743 N ILE A 47 5.516 23.734 34.325 1.00 0.00 N ATOM 744 CA ILE A 47 4.846 22.807 35.282 1.00 0.00 C ATOM 745 C ILE A 47 5.258 23.104 36.720 1.00 0.00 C ATOM 746 O ILE A 47 6.360 23.548 36.976 1.00 0.00 O ATOM 747 CB ILE A 47 5.262 21.380 34.933 1.00 0.00 C ATOM 748 CG1 ILE A 47 4.827 21.052 33.511 1.00 0.00 C ATOM 749 CG2 ILE A 47 4.557 20.413 35.898 1.00 0.00 C ATOM 750 CD1 ILE A 47 5.227 19.613 33.184 1.00 0.00 C ATOM 0 H ILE A 47 6.520 23.849 34.461 1.00 0.00 H new ATOM 0 HA ILE A 47 3.767 22.936 35.203 1.00 0.00 H new ATOM 0 HB ILE A 47 6.345 21.284 35.016 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.749 21.175 33.410 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.293 21.741 32.807 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.844 19.389 35.661 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.849 20.644 36.922 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.477 20.520 35.796 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.918 19.372 32.167 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.309 19.508 33.270 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.740 18.932 33.882 1.00 0.00 H new ATOM 762 N LEU A 48 4.354 22.852 37.636 1.00 0.00 N ATOM 763 CA LEU A 48 4.661 23.108 39.067 1.00 0.00 C ATOM 764 C LEU A 48 4.034 22.034 39.955 1.00 0.00 C ATOM 765 O LEU A 48 3.443 21.092 39.469 1.00 0.00 O ATOM 766 CB LEU A 48 4.078 24.479 39.453 1.00 0.00 C ATOM 767 CG LEU A 48 2.561 24.450 39.272 1.00 0.00 C ATOM 768 CD1 LEU A 48 1.950 25.683 39.944 1.00 0.00 C ATOM 769 CD2 LEU A 48 2.226 24.475 37.779 1.00 0.00 C ATOM 0 H LEU A 48 3.422 22.482 37.450 1.00 0.00 H new ATOM 0 HA LEU A 48 5.742 23.091 39.209 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.328 24.716 40.487 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.515 25.261 38.832 1.00 0.00 H new ATOM 0 HG LEU A 48 2.157 23.544 39.723 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.867 25.667 39.818 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.192 25.675 41.007 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.356 26.585 39.486 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.144 24.454 37.648 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.628 25.384 37.331 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.667 23.605 37.293 1.00 0.00 H new ATOM 781 N GLU A 49 4.184 22.192 41.244 1.00 0.00 N ATOM 782 CA GLU A 49 3.610 21.201 42.170 1.00 0.00 C ATOM 783 C GLU A 49 2.103 21.364 42.287 1.00 0.00 C ATOM 784 O GLU A 49 1.578 22.446 42.111 1.00 0.00 O ATOM 785 CB GLU A 49 4.238 21.406 43.557 1.00 0.00 C ATOM 786 CG GLU A 49 5.755 21.530 43.409 1.00 0.00 C ATOM 787 CD GLU A 49 6.394 21.632 44.795 1.00 0.00 C ATOM 788 OE1 GLU A 49 6.512 20.587 45.415 1.00 0.00 O ATOM 789 OE2 GLU A 49 6.731 22.746 45.155 1.00 0.00 O ATOM 0 H GLU A 49 4.680 22.967 41.685 1.00 0.00 H new ATOM 0 HA GLU A 49 3.821 20.203 41.786 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.832 22.303 44.024 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.992 20.568 44.208 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.151 20.666 42.876 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.003 22.411 42.816 1.00 0.00 H new ATOM 796 N GLY A 50 1.431 20.284 42.585 1.00 0.00 N ATOM 797 CA GLY A 50 -0.047 20.361 42.718 1.00 0.00 C ATOM 798 C GLY A 50 -0.701 20.276 41.344 1.00 0.00 C ATOM 799 O GLY A 50 -1.892 20.063 41.233 1.00 0.00 O ATOM 0 H GLY A 50 1.839 19.362 42.740 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.406 19.549 43.351 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.328 21.294 43.206 1.00 0.00 H new ATOM 803 N ASP A 51 0.093 20.442 40.323 1.00 0.00 N ATOM 804 CA ASP A 51 -0.463 20.374 38.956 1.00 0.00 C ATOM 805 C ASP A 51 -0.390 18.954 38.411 1.00 0.00 C ATOM 806 O ASP A 51 0.556 18.236 38.669 1.00 0.00 O ATOM 807 CB ASP A 51 0.366 21.294 38.050 1.00 0.00 C ATOM 808 CG ASP A 51 -0.372 22.622 37.865 1.00 0.00 C ATOM 809 OD1 ASP A 51 -0.427 23.352 38.842 1.00 0.00 O ATOM 810 OD2 ASP A 51 -0.840 22.831 36.759 1.00 0.00 O ATOM 0 H ASP A 51 1.096 20.620 40.381 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.507 20.685 38.981 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.348 21.469 38.491 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.531 20.819 37.083 1.00 0.00 H new ATOM 815 N LYS A 52 -1.391 18.567 37.665 1.00 0.00 N ATOM 816 CA LYS A 52 -1.390 17.211 37.103 1.00 0.00 C ATOM 817 C LYS A 52 -0.437 17.116 35.948 1.00 0.00 C ATOM 818 O LYS A 52 -0.149 18.098 35.297 1.00 0.00 O ATOM 819 CB LYS A 52 -2.815 16.873 36.618 1.00 0.00 C ATOM 820 CG LYS A 52 -3.328 15.638 37.355 1.00 0.00 C ATOM 821 CD LYS A 52 -4.733 15.306 36.852 1.00 0.00 C ATOM 822 CE LYS A 52 -5.228 14.038 37.548 1.00 0.00 C ATOM 823 NZ LYS A 52 -6.690 14.131 37.819 1.00 0.00 N ATOM 0 H LYS A 52 -2.202 19.139 37.428 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.073 16.507 37.872 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.480 17.718 36.796 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.811 16.692 35.543 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.659 14.794 37.187 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.346 15.821 38.429 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.411 16.135 37.055 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.721 15.162 35.772 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.022 13.169 36.923 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.687 13.894 38.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.011 13.262 38.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.878 14.949 38.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.203 14.246 36.922 1.00 0.00 H new ATOM 837 N VAL A 53 0.042 15.932 35.706 1.00 0.00 N ATOM 838 CA VAL A 53 0.987 15.765 34.591 1.00 0.00 C ATOM 839 C VAL A 53 0.990 14.352 34.040 1.00 0.00 C ATOM 840 O VAL A 53 0.394 13.458 34.607 1.00 0.00 O ATOM 841 CB VAL A 53 2.371 16.028 35.153 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.482 17.481 35.586 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.590 15.120 36.368 1.00 0.00 C ATOM 0 H VAL A 53 -0.181 15.085 36.229 1.00 0.00 H new ATOM 0 HA VAL A 53 0.701 16.443 33.787 1.00 0.00 H new ATOM 0 HB VAL A 53 3.122 15.823 34.390 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.478 17.665 35.989 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.312 18.131 34.727 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.736 17.690 36.353 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.582 15.299 36.782 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.836 15.337 37.125 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.507 14.077 36.062 1.00 0.00 H new ATOM 853 N ASN A 54 1.678 14.180 32.929 1.00 0.00 N ATOM 854 CA ASN A 54 1.752 12.839 32.309 1.00 0.00 C ATOM 855 C ASN A 54 3.113 12.245 32.620 1.00 0.00 C ATOM 856 O ASN A 54 4.128 12.837 32.308 1.00 0.00 O ATOM 857 CB ASN A 54 1.593 12.971 30.784 1.00 0.00 C ATOM 858 CG ASN A 54 0.233 12.421 30.365 1.00 0.00 C ATOM 859 OD1 ASN A 54 -0.845 13.065 30.717 1.00 0.00 O flip ATOM 860 ND2 ASN A 54 0.137 11.403 29.709 1.00 0.00 N flip ATOM 0 H ASN A 54 2.185 14.916 32.437 1.00 0.00 H new ATOM 0 HA ASN A 54 0.960 12.199 32.699 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.682 14.016 30.488 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.389 12.427 30.276 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.976 10.895 29.431 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.783 11.057 29.437 1.00 0.00 H new ATOM 867 N VAL A 55 3.115 11.084 33.218 1.00 0.00 N ATOM 868 CA VAL A 55 4.403 10.442 33.560 1.00 0.00 C ATOM 869 C VAL A 55 4.740 9.321 32.601 1.00 0.00 C ATOM 870 O VAL A 55 3.907 8.497 32.283 1.00 0.00 O ATOM 871 CB VAL A 55 4.270 9.848 34.967 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.665 9.573 35.537 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.547 10.852 35.863 1.00 0.00 C ATOM 0 H VAL A 55 2.281 10.559 33.481 1.00 0.00 H new ATOM 0 HA VAL A 55 5.194 11.190 33.503 1.00 0.00 H new ATOM 0 HB VAL A 55 3.706 8.916 34.923 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.572 9.151 36.538 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.189 8.867 34.892 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.228 10.505 35.587 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.447 10.438 36.867 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.120 11.778 35.907 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.557 11.057 35.455 1.00 0.00 H new ATOM 883 N GLU A 56 5.969 9.320 32.164 1.00 0.00 N ATOM 884 CA GLU A 56 6.422 8.276 31.221 1.00 0.00 C ATOM 885 C GLU A 56 7.403 7.351 31.902 1.00 0.00 C ATOM 886 O GLU A 56 8.499 7.746 32.229 1.00 0.00 O ATOM 887 CB GLU A 56 7.135 8.964 30.052 1.00 0.00 C ATOM 888 CG GLU A 56 6.152 9.121 28.897 1.00 0.00 C ATOM 889 CD GLU A 56 6.908 9.559 27.640 1.00 0.00 C ATOM 890 OE1 GLU A 56 6.489 9.127 26.579 1.00 0.00 O ATOM 891 OE2 GLU A 56 7.862 10.301 27.812 1.00 0.00 O ATOM 0 H GLU A 56 6.679 10.005 32.425 1.00 0.00 H new ATOM 0 HA GLU A 56 5.564 7.700 30.875 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.512 9.939 30.361 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.996 8.375 29.737 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.636 8.179 28.714 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.390 9.858 29.151 1.00 0.00 H new ATOM 898 N LEU A 57 7.001 6.135 32.113 1.00 0.00 N ATOM 899 CA LEU A 57 7.920 5.191 32.774 1.00 0.00 C ATOM 900 C LEU A 57 8.940 4.710 31.766 1.00 0.00 C ATOM 901 O LEU A 57 8.582 4.139 30.744 1.00 0.00 O ATOM 902 CB LEU A 57 7.108 4.004 33.305 1.00 0.00 C ATOM 903 CG LEU A 57 6.072 4.525 34.310 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.849 3.608 34.299 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.685 4.524 35.711 1.00 0.00 C ATOM 0 H LEU A 57 6.087 5.761 31.859 1.00 0.00 H new ATOM 0 HA LEU A 57 8.436 5.678 33.602 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.611 3.489 32.483 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.767 3.279 33.783 1.00 0.00 H new ATOM 0 HG LEU A 57 5.775 5.537 34.036 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.112 3.976 35.012 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.413 3.595 33.300 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.149 2.598 34.577 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.953 4.893 36.429 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.976 3.509 35.980 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.563 5.169 35.724 1.00 0.00 H new ATOM 917 N SER A 58 10.198 4.939 32.065 1.00 0.00 N ATOM 918 CA SER A 58 11.258 4.501 31.121 1.00 0.00 C ATOM 919 C SER A 58 11.575 2.997 31.267 1.00 0.00 C ATOM 920 O SER A 58 11.798 2.518 32.361 1.00 0.00 O ATOM 921 CB SER A 58 12.534 5.298 31.438 1.00 0.00 C ATOM 922 OG SER A 58 12.063 6.599 31.759 1.00 0.00 O ATOM 0 H SER A 58 10.526 5.404 32.911 1.00 0.00 H new ATOM 0 HA SER A 58 10.908 4.676 30.103 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.082 4.857 32.270 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.212 5.319 30.585 1.00 0.00 H new ATOM 0 HG SER A 58 12.823 7.177 31.978 1.00 0.00 H new ATOM 928 N PRO A 59 11.589 2.270 30.144 1.00 0.00 N ATOM 929 CA PRO A 59 11.880 0.841 30.169 1.00 0.00 C ATOM 930 C PRO A 59 13.277 0.587 30.720 1.00 0.00 C ATOM 931 O PRO A 59 13.706 -0.543 30.845 1.00 0.00 O ATOM 932 CB PRO A 59 11.814 0.390 28.693 1.00 0.00 C ATOM 933 CG PRO A 59 11.484 1.648 27.837 1.00 0.00 C ATOM 934 CD PRO A 59 11.306 2.823 28.808 1.00 0.00 C ATOM 0 HA PRO A 59 11.179 0.300 30.804 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.763 -0.048 28.382 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.051 -0.376 28.559 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.287 1.853 27.128 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.577 1.490 27.254 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.988 3.639 28.567 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.295 3.227 28.756 1.00 0.00 H new ATOM 942 N TYR A 60 13.962 1.653 31.040 1.00 0.00 N ATOM 943 CA TYR A 60 15.309 1.516 31.575 1.00 0.00 C ATOM 944 C TYR A 60 15.219 1.282 33.056 1.00 0.00 C ATOM 945 O TYR A 60 16.129 0.765 33.674 1.00 0.00 O ATOM 946 CB TYR A 60 16.076 2.827 31.324 1.00 0.00 C ATOM 947 CG TYR A 60 16.515 2.914 29.852 1.00 0.00 C ATOM 948 CD1 TYR A 60 15.912 2.136 28.877 1.00 0.00 C ATOM 949 CD2 TYR A 60 17.517 3.788 29.481 1.00 0.00 C ATOM 950 CE1 TYR A 60 16.308 2.236 27.558 1.00 0.00 C ATOM 951 CE2 TYR A 60 17.910 3.885 28.161 1.00 0.00 C ATOM 952 CZ TYR A 60 17.310 3.111 27.191 1.00 0.00 C ATOM 953 OH TYR A 60 17.703 3.213 25.872 1.00 0.00 O ATOM 0 H TYR A 60 13.627 2.612 30.946 1.00 0.00 H new ATOM 0 HA TYR A 60 15.822 0.683 31.095 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.444 3.680 31.573 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.949 2.876 31.975 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.127 1.447 29.150 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.997 4.401 30.229 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.830 1.624 26.807 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.695 4.574 27.886 1.00 0.00 H new ATOM 0 HH TYR A 60 18.419 3.878 25.794 1.00 0.00 H new ATOM 963 N ASP A 61 14.109 1.676 33.601 1.00 0.00 N ATOM 964 CA ASP A 61 13.901 1.502 35.036 1.00 0.00 C ATOM 965 C ASP A 61 12.449 1.802 35.394 1.00 0.00 C ATOM 966 O ASP A 61 12.053 2.945 35.504 1.00 0.00 O ATOM 967 CB ASP A 61 14.832 2.472 35.788 1.00 0.00 C ATOM 968 CG ASP A 61 15.474 1.740 36.968 1.00 0.00 C ATOM 969 OD1 ASP A 61 16.548 2.171 37.351 1.00 0.00 O ATOM 970 OD2 ASP A 61 14.852 0.792 37.420 1.00 0.00 O ATOM 0 H ASP A 61 13.336 2.114 33.099 1.00 0.00 H new ATOM 0 HA ASP A 61 14.124 0.473 35.319 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.603 2.850 35.116 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.268 3.335 36.143 1.00 0.00 H new ATOM 975 N LEU A 62 11.678 0.765 35.562 1.00 0.00 N ATOM 976 CA LEU A 62 10.251 0.968 35.911 1.00 0.00 C ATOM 977 C LEU A 62 10.112 1.514 37.313 1.00 0.00 C ATOM 978 O LEU A 62 9.060 1.433 37.916 1.00 0.00 O ATOM 979 CB LEU A 62 9.531 -0.383 35.825 1.00 0.00 C ATOM 980 CG LEU A 62 9.642 -0.916 34.397 1.00 0.00 C ATOM 981 CD1 LEU A 62 9.870 -2.427 34.441 1.00 0.00 C ATOM 982 CD2 LEU A 62 8.342 -0.625 33.646 1.00 0.00 C ATOM 0 H LEU A 62 11.974 -0.207 35.473 1.00 0.00 H new ATOM 0 HA LEU A 62 9.814 1.685 35.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.973 -1.091 36.526 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.483 -0.270 36.104 1.00 0.00 H new ATOM 0 HG LEU A 62 10.476 -0.432 33.888 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.950 -2.813 33.425 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.791 -2.640 34.984 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.032 -2.907 34.946 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.418 -1.004 32.627 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.511 -1.114 34.154 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.169 0.451 33.621 1.00 0.00 H new ATOM 994 N THR A 63 11.178 2.065 37.799 1.00 0.00 N ATOM 995 CA THR A 63 11.162 2.638 39.165 1.00 0.00 C ATOM 996 C THR A 63 11.059 4.157 39.099 1.00 0.00 C ATOM 997 O THR A 63 10.811 4.811 40.092 1.00 0.00 O ATOM 998 CB THR A 63 12.480 2.263 39.857 1.00 0.00 C ATOM 999 OG1 THR A 63 13.454 2.275 38.834 1.00 0.00 O ATOM 1000 CG2 THR A 63 12.453 0.807 40.345 1.00 0.00 C ATOM 0 H THR A 63 12.067 2.145 37.306 1.00 0.00 H new ATOM 0 HA THR A 63 10.306 2.247 39.715 1.00 0.00 H new ATOM 0 HB THR A 63 12.662 2.940 40.692 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.702 1.354 38.608 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.399 0.569 40.831 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.637 0.677 41.056 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.304 0.141 39.495 1.00 0.00 H new ATOM 1008 N ARG A 64 11.253 4.691 37.921 1.00 0.00 N ATOM 1009 CA ARG A 64 11.176 6.156 37.758 1.00 0.00 C ATOM 1010 C ARG A 64 10.670 6.526 36.356 1.00 0.00 C ATOM 1011 O ARG A 64 10.970 5.850 35.375 1.00 0.00 O ATOM 1012 CB ARG A 64 12.597 6.708 37.939 1.00 0.00 C ATOM 1013 CG ARG A 64 12.637 8.176 37.516 1.00 0.00 C ATOM 1014 CD ARG A 64 13.455 8.319 36.223 1.00 0.00 C ATOM 1015 NE ARG A 64 13.907 9.730 36.086 1.00 0.00 N ATOM 1016 CZ ARG A 64 15.186 9.988 36.007 1.00 0.00 C ATOM 1017 NH1 ARG A 64 15.886 9.419 35.063 1.00 0.00 N ATOM 1018 NH2 ARG A 64 15.724 10.798 36.878 1.00 0.00 N ATOM 0 H ARG A 64 11.461 4.168 37.070 1.00 0.00 H new ATOM 0 HA ARG A 64 10.484 6.574 38.489 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.905 6.611 38.980 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.301 6.128 37.343 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.624 8.548 37.360 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.080 8.781 38.307 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.315 7.649 36.246 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.851 8.032 35.362 1.00 0.00 H new ATOM 0 HE ARG A 64 13.226 10.488 36.054 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.433 8.786 34.404 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.885 9.608 34.985 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.148 11.219 37.607 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.721 11.010 36.830 1.00 0.00 H new ATOM 1032 N GLY A 65 9.904 7.591 36.290 1.00 0.00 N ATOM 1033 CA GLY A 65 9.360 8.038 34.974 1.00 0.00 C ATOM 1034 C GLY A 65 9.829 9.464 34.671 1.00 0.00 C ATOM 1035 O GLY A 65 10.840 9.910 35.182 1.00 0.00 O ATOM 0 H GLY A 65 9.635 8.165 37.089 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.691 7.362 34.186 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.271 8.000 34.990 1.00 0.00 H new ATOM 1039 N ARG A 66 9.097 10.150 33.843 1.00 0.00 N ATOM 1040 CA ARG A 66 9.505 11.538 33.515 1.00 0.00 C ATOM 1041 C ARG A 66 8.321 12.367 33.015 1.00 0.00 C ATOM 1042 O ARG A 66 7.424 11.857 32.375 1.00 0.00 O ATOM 1043 CB ARG A 66 10.575 11.482 32.408 1.00 0.00 C ATOM 1044 CG ARG A 66 10.068 10.610 31.258 1.00 0.00 C ATOM 1045 CD ARG A 66 11.260 10.117 30.440 1.00 0.00 C ATOM 1046 NE ARG A 66 12.135 11.277 30.114 1.00 0.00 N ATOM 1047 CZ ARG A 66 13.207 11.086 29.398 1.00 0.00 C ATOM 1048 NH1 ARG A 66 13.145 10.279 28.374 1.00 0.00 N ATOM 1049 NH2 ARG A 66 14.304 11.706 29.732 1.00 0.00 N ATOM 0 H ARG A 66 8.248 9.816 33.386 1.00 0.00 H new ATOM 0 HA ARG A 66 9.893 12.009 34.418 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.795 12.487 32.048 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.505 11.075 32.805 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.504 9.763 31.649 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.388 11.181 30.625 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.819 9.369 31.002 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.916 9.636 29.525 1.00 0.00 H new ATOM 0 HE ARG A 66 11.898 12.211 30.448 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.268 9.811 28.146 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.974 10.117 27.802 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.313 12.327 30.541 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.154 11.570 29.184 1.00 0.00 H new ATOM 1063 N ILE A 67 8.348 13.636 33.324 1.00 0.00 N ATOM 1064 CA ILE A 67 7.246 14.535 32.887 1.00 0.00 C ATOM 1065 C ILE A 67 7.605 15.204 31.581 1.00 0.00 C ATOM 1066 O ILE A 67 8.572 15.940 31.511 1.00 0.00 O ATOM 1067 CB ILE A 67 7.082 15.608 33.942 1.00 0.00 C ATOM 1068 CG1 ILE A 67 6.762 14.950 35.296 1.00 0.00 C ATOM 1069 CG2 ILE A 67 5.937 16.558 33.510 1.00 0.00 C ATOM 1070 CD1 ILE A 67 5.267 14.939 35.563 1.00 0.00 C ATOM 0 H ILE A 67 9.088 14.088 33.861 1.00 0.00 H new ATOM 0 HA ILE A 67 6.330 13.959 32.754 1.00 0.00 H new ATOM 0 HB ILE A 67 8.002 16.182 34.047 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.143 13.929 35.306 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.272 15.489 36.094 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.807 17.337 34.261 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.186 17.015 32.552 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.011 15.991 33.412 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.073 14.468 36.527 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.892 15.963 35.577 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.761 14.379 34.777 1.00 0.00 H new ATOM 1082 N THR A 68 6.827 14.939 30.573 1.00 0.00 N ATOM 1083 CA THR A 68 7.098 15.547 29.253 1.00 0.00 C ATOM 1084 C THR A 68 5.863 16.252 28.706 1.00 0.00 C ATOM 1085 O THR A 68 5.854 16.688 27.572 1.00 0.00 O ATOM 1086 CB THR A 68 7.499 14.425 28.292 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.363 13.595 28.189 1.00 0.00 O ATOM 1088 CG2 THR A 68 8.580 13.532 28.923 1.00 0.00 C ATOM 0 H THR A 68 6.013 14.325 30.610 1.00 0.00 H new ATOM 0 HA THR A 68 7.892 16.287 29.355 1.00 0.00 H new ATOM 0 HB THR A 68 7.853 14.849 27.353 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.552 14.145 28.215 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.852 12.741 28.224 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.461 14.133 29.151 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.195 13.089 29.842 1.00 0.00 H new ATOM 1096 N TRP A 69 4.835 16.357 29.514 1.00 0.00 N ATOM 1097 CA TRP A 69 3.612 17.032 29.022 1.00 0.00 C ATOM 1098 C TRP A 69 2.565 17.213 30.120 1.00 0.00 C ATOM 1099 O TRP A 69 2.085 16.258 30.680 1.00 0.00 O ATOM 1100 CB TRP A 69 3.004 16.129 27.941 1.00 0.00 C ATOM 1101 CG TRP A 69 3.470 14.675 28.174 1.00 0.00 C ATOM 1102 CD1 TRP A 69 3.808 14.165 29.361 1.00 0.00 C ATOM 1103 CD2 TRP A 69 3.629 13.793 27.227 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.194 12.915 29.075 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.106 12.591 27.723 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.379 13.934 25.878 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.329 11.536 26.858 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 3.601 12.882 25.020 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.077 11.684 25.507 1.00 0.00 C ATOM 0 H TRP A 69 4.797 16.010 30.472 1.00 0.00 H new ATOM 0 HA TRP A 69 3.885 18.020 28.652 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.916 16.185 27.973 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.311 16.468 26.952 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.777 14.648 30.326 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.523 12.259 29.783 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.008 14.873 25.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.700 10.596 27.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.402 12.995 23.964 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.253 10.860 24.832 1.00 0.00 H new ATOM 1120 N ARG A 70 2.232 18.433 30.413 1.00 0.00 N ATOM 1121 CA ARG A 70 1.228 18.660 31.456 1.00 0.00 C ATOM 1122 C ARG A 70 -0.140 18.182 30.973 1.00 0.00 C ATOM 1123 O ARG A 70 -0.349 18.008 29.790 1.00 0.00 O ATOM 1124 CB ARG A 70 1.153 20.166 31.745 1.00 0.00 C ATOM 1125 CG ARG A 70 0.782 20.901 30.459 1.00 0.00 C ATOM 1126 CD ARG A 70 0.321 22.317 30.805 1.00 0.00 C ATOM 1127 NE ARG A 70 -0.201 22.972 29.571 1.00 0.00 N ATOM 1128 CZ ARG A 70 -1.374 23.549 29.599 1.00 0.00 C ATOM 1129 NH1 ARG A 70 -2.441 22.804 29.676 1.00 0.00 N ATOM 1130 NH2 ARG A 70 -1.436 24.851 29.547 1.00 0.00 N ATOM 0 H ARG A 70 2.613 19.271 29.974 1.00 0.00 H new ATOM 0 HA ARG A 70 1.506 18.110 32.355 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.412 20.364 32.519 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.111 20.525 32.121 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.639 20.939 29.787 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.010 20.366 29.935 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.454 22.284 31.571 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.150 22.893 31.215 1.00 0.00 H new ATOM 0 HE ARG A 70 0.352 22.970 28.714 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.352 21.789 29.713 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.364 23.237 29.699 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.579 25.400 29.486 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.342 25.320 29.568 1.00 0.00 H new ATOM 1144 N LYS A 71 -1.045 17.975 31.886 1.00 0.00 N ATOM 1145 CA LYS A 71 -2.395 17.509 31.469 1.00 0.00 C ATOM 1146 C LYS A 71 -2.899 18.321 30.277 1.00 0.00 C ATOM 1147 O LYS A 71 -2.459 19.431 30.053 1.00 0.00 O ATOM 1148 CB LYS A 71 -3.359 17.711 32.642 1.00 0.00 C ATOM 1149 CG LYS A 71 -4.793 17.538 32.144 1.00 0.00 C ATOM 1150 CD LYS A 71 -5.673 17.087 33.308 1.00 0.00 C ATOM 1151 CE LYS A 71 -6.992 17.862 33.276 1.00 0.00 C ATOM 1152 NZ LYS A 71 -7.849 17.385 32.155 1.00 0.00 N ATOM 0 H LYS A 71 -0.912 18.106 32.889 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.339 16.459 31.183 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.146 16.991 33.433 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.227 18.704 33.071 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.165 18.477 31.733 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.826 16.803 31.340 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.866 16.016 33.240 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.160 17.259 34.254 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.518 17.736 34.223 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.792 18.927 33.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.740 17.921 32.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.351 17.527 31.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.054 16.373 32.281 1.00 0.00 H new