USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 648 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 70 HIS : no HD1:sc= -0.396 X(o=-0.4,f=0.071) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.873 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -136:sc= 0.507 USER MOD Single : A 21 MET CE :methyl -130:sc= -3.62 (180deg=-8.41!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 27 SER OG : rot -37:sc= 1.1 USER MOD Single : A 32 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 33 MET CE :methyl 160:sc= -2.18! (180deg=-2.3) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.332 K(o=0.33,f=-6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.49 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.771 USER MOD Single : A 55 CYS SG : rot 90:sc= -1.38 USER MOD Single : A 64 THR OG1 : rot 83:sc= 0.547 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -111:sc= -1.63 (180deg=-6.72!) USER MOD Single : A 73 ASN : amide:sc= -0.897! C(o=-0.9!,f=-1.1!) USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= -0.0448 (180deg=-0.283) USER MOD Single : A 81 THR OG1 : rot 34:sc= 0.214 USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= 1.04 (180deg=0.684) USER MOD Single : A 87 LYS NZ :NH3+ 154:sc= 0.0066 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -3.99! C(o=-5.6!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.419 3.511 -14.615 1.00 0.00 N ATOM 84 CA ALA A 9 7.560 4.689 -14.644 1.00 0.00 C ATOM 85 C ALA A 9 6.088 4.297 -14.572 1.00 0.00 C ATOM 86 O ALA A 9 5.329 4.843 -13.772 1.00 0.00 O ATOM 87 CB ALA A 9 7.830 5.507 -15.898 1.00 0.00 C ATOM 0 HA ALA A 9 7.789 5.298 -13.770 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.182 6.383 -15.907 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.872 5.826 -15.907 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.629 4.898 -16.780 1.00 0.00 H new ATOM 93 N ALA A 10 5.691 3.348 -15.414 1.00 0.00 N ATOM 94 CA ALA A 10 4.310 2.883 -15.445 1.00 0.00 C ATOM 95 C ALA A 10 4.125 1.654 -14.560 1.00 0.00 C ATOM 96 O ALA A 10 3.228 0.843 -14.789 1.00 0.00 O ATOM 97 CB ALA A 10 3.888 2.575 -16.874 1.00 0.00 C ATOM 0 H ALA A 10 6.307 2.886 -16.084 1.00 0.00 H new ATOM 0 HA ALA A 10 3.676 3.679 -15.055 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.854 2.229 -16.882 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.973 3.476 -17.481 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.534 1.799 -17.285 1.00 0.00 H new ATOM 103 N SER A 11 4.980 1.524 -13.551 1.00 0.00 N ATOM 104 CA SER A 11 4.913 0.391 -12.635 1.00 0.00 C ATOM 105 C SER A 11 4.545 0.852 -11.227 1.00 0.00 C ATOM 106 O SER A 11 4.601 2.042 -10.916 1.00 0.00 O ATOM 107 CB SER A 11 6.251 -0.350 -12.608 1.00 0.00 C ATOM 108 OG SER A 11 6.427 -1.128 -13.779 1.00 0.00 O ATOM 0 H SER A 11 5.727 2.188 -13.347 1.00 0.00 H new ATOM 0 HA SER A 11 4.138 -0.287 -12.991 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.066 0.368 -12.519 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.296 -0.994 -11.730 1.00 0.00 H new ATOM 0 HG SER A 11 7.290 -1.590 -13.738 1.00 0.00 H new ATOM 114 N LEU A 12 4.169 -0.100 -10.380 1.00 0.00 N ATOM 115 CA LEU A 12 3.791 0.207 -9.005 1.00 0.00 C ATOM 116 C LEU A 12 4.541 -0.687 -8.022 1.00 0.00 C ATOM 117 O LEU A 12 4.926 -1.808 -8.357 1.00 0.00 O ATOM 118 CB LEU A 12 2.282 0.035 -8.819 1.00 0.00 C ATOM 119 CG LEU A 12 1.393 0.846 -9.762 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.037 0.177 -9.924 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.230 2.269 -9.248 1.00 0.00 C ATOM 0 H LEU A 12 4.118 -1.090 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 12 4.060 1.244 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.039 -1.021 -8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.030 0.304 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 12 1.874 0.887 -10.739 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.582 0.768 -10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.171 -0.823 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.452 0.105 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.594 2.832 -9.931 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.771 2.248 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.207 2.747 -9.185 1.00 0.00 H new ATOM 133 N TRP A 13 4.742 -0.186 -6.809 1.00 0.00 N ATOM 134 CA TRP A 13 5.444 -0.940 -5.777 1.00 0.00 C ATOM 135 C TRP A 13 4.470 -1.782 -4.961 1.00 0.00 C ATOM 136 O TRP A 13 3.408 -1.306 -4.560 1.00 0.00 O ATOM 137 CB TRP A 13 6.213 0.009 -4.856 1.00 0.00 C ATOM 138 CG TRP A 13 6.625 -0.624 -3.562 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.850 -1.145 -3.258 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.811 -0.803 -2.398 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.847 -1.637 -1.975 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.608 -1.439 -1.426 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.487 -0.487 -2.081 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.122 -1.764 -0.162 1.00 0.00 C ATOM 145 CZ3 TRP A 13 4.006 -0.810 -0.827 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.822 -1.443 0.121 1.00 0.00 C ATOM 0 H TRP A 13 4.429 0.739 -6.516 1.00 0.00 H new ATOM 0 HA TRP A 13 6.150 -1.609 -6.268 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.101 0.368 -5.376 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.593 0.881 -4.645 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.697 -1.167 -3.928 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.639 -2.078 -1.507 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.851 0.001 -2.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.749 -2.252 0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.984 -0.571 -0.573 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.417 -1.682 1.093 1.00 0.00 H new ATOM 157 N MET A 14 4.838 -3.036 -4.717 1.00 0.00 N ATOM 158 CA MET A 14 3.996 -3.943 -3.947 1.00 0.00 C ATOM 159 C MET A 14 4.819 -4.700 -2.909 1.00 0.00 C ATOM 160 O MET A 14 5.469 -5.696 -3.225 1.00 0.00 O ATOM 161 CB MET A 14 3.291 -4.933 -4.877 1.00 0.00 C ATOM 162 CG MET A 14 2.282 -5.821 -4.167 1.00 0.00 C ATOM 163 SD MET A 14 1.558 -7.060 -5.259 1.00 0.00 S ATOM 164 CE MET A 14 -0.034 -7.311 -4.478 1.00 0.00 C ATOM 0 H MET A 14 5.714 -3.446 -5.042 1.00 0.00 H new ATOM 0 HA MET A 14 3.246 -3.348 -3.426 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.783 -4.379 -5.666 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.039 -5.561 -5.360 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.769 -6.321 -3.330 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.488 -5.201 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.602 -8.053 -5.039 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.113 -7.663 -3.457 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.584 -6.370 -4.462 1.00 0.00 H new ATOM 174 N GLY A 15 4.786 -4.220 -1.670 1.00 0.00 N ATOM 175 CA GLY A 15 5.534 -4.864 -0.605 1.00 0.00 C ATOM 176 C GLY A 15 4.652 -5.707 0.295 1.00 0.00 C ATOM 177 O GLY A 15 3.551 -6.098 -0.093 1.00 0.00 O ATOM 0 H GLY A 15 4.255 -3.397 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.311 -5.493 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.037 -4.104 -0.007 1.00 0.00 H new ATOM 181 N ASP A 16 5.137 -5.990 1.499 1.00 0.00 N ATOM 182 CA ASP A 16 4.386 -6.793 2.456 1.00 0.00 C ATOM 183 C ASP A 16 3.892 -8.085 1.813 1.00 0.00 C ATOM 184 O ASP A 16 2.784 -8.545 2.091 1.00 0.00 O ATOM 185 CB ASP A 16 3.201 -5.996 3.004 1.00 0.00 C ATOM 186 CG ASP A 16 2.550 -6.671 4.195 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.793 -7.879 4.398 1.00 0.00 O ATOM 188 OD2 ASP A 16 1.798 -5.991 4.924 1.00 0.00 O ATOM 0 H ASP A 16 6.047 -5.675 1.835 1.00 0.00 H new ATOM 0 HA ASP A 16 5.053 -7.050 3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.539 -5.001 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.460 -5.864 2.215 1.00 0.00 H new ATOM 193 N LEU A 17 4.720 -8.665 0.952 1.00 0.00 N ATOM 194 CA LEU A 17 4.368 -9.904 0.267 1.00 0.00 C ATOM 195 C LEU A 17 4.829 -11.118 1.067 1.00 0.00 C ATOM 196 O LEU A 17 5.770 -11.032 1.856 1.00 0.00 O ATOM 197 CB LEU A 17 4.990 -9.933 -1.130 1.00 0.00 C ATOM 198 CG LEU A 17 4.711 -8.718 -2.014 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.497 -8.811 -3.313 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.221 -8.595 -2.298 1.00 0.00 C ATOM 0 H LEU A 17 5.640 -8.297 0.711 1.00 0.00 H new ATOM 0 HA LEU A 17 3.283 -9.943 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.070 -10.039 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.632 -10.823 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 17 5.034 -7.824 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.286 -7.937 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.563 -8.849 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.206 -9.713 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.041 -7.724 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.873 -9.492 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.680 -8.480 -1.359 1.00 0.00 H new ATOM 212 N GLU A 18 4.162 -12.248 0.856 1.00 0.00 N ATOM 213 CA GLU A 18 4.505 -13.480 1.557 1.00 0.00 C ATOM 214 C GLU A 18 5.730 -14.140 0.930 1.00 0.00 C ATOM 215 O GLU A 18 6.087 -13.878 -0.219 1.00 0.00 O ATOM 216 CB GLU A 18 3.322 -14.451 1.537 1.00 0.00 C ATOM 217 CG GLU A 18 2.334 -14.230 2.669 1.00 0.00 C ATOM 218 CD GLU A 18 2.837 -14.765 3.995 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.710 -14.115 4.606 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.356 -15.836 4.423 1.00 0.00 O ATOM 0 H GLU A 18 3.381 -12.336 0.206 1.00 0.00 H new ATOM 0 HA GLU A 18 4.740 -13.226 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.799 -14.354 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.700 -15.472 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.130 -13.164 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.389 -14.714 2.421 1.00 0.00 H new ATOM 227 N PRO A 19 6.390 -15.016 1.702 1.00 0.00 N ATOM 228 CA PRO A 19 7.584 -15.731 1.244 1.00 0.00 C ATOM 229 C PRO A 19 7.264 -16.767 0.172 1.00 0.00 C ATOM 230 O PRO A 19 8.147 -17.491 -0.289 1.00 0.00 O ATOM 231 CB PRO A 19 8.096 -16.416 2.514 1.00 0.00 C ATOM 232 CG PRO A 19 6.890 -16.566 3.375 1.00 0.00 C ATOM 233 CD PRO A 19 6.020 -15.376 3.081 1.00 0.00 C ATOM 0 HA PRO A 19 8.309 -15.060 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.545 -17.384 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.862 -15.816 3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.366 -17.496 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.165 -16.597 4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.961 -15.622 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.211 -14.557 3.775 1.00 0.00 H new ATOM 241 N TYR A 20 5.997 -16.833 -0.221 1.00 0.00 N ATOM 242 CA TYR A 20 5.560 -17.782 -1.238 1.00 0.00 C ATOM 243 C TYR A 20 4.793 -17.074 -2.351 1.00 0.00 C ATOM 244 O TYR A 20 3.881 -17.643 -2.949 1.00 0.00 O ATOM 245 CB TYR A 20 4.684 -18.867 -0.610 1.00 0.00 C ATOM 246 CG TYR A 20 3.620 -18.325 0.317 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.672 -17.416 -0.137 1.00 0.00 C ATOM 248 CD2 TYR A 20 3.561 -18.723 1.647 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.699 -16.918 0.706 1.00 0.00 C ATOM 250 CE2 TYR A 20 2.590 -18.231 2.498 1.00 0.00 C ATOM 251 CZ TYR A 20 1.662 -17.328 2.023 1.00 0.00 C ATOM 252 OH TYR A 20 0.692 -16.835 2.866 1.00 0.00 O ATOM 0 H TYR A 20 5.254 -16.240 0.149 1.00 0.00 H new ATOM 0 HA TYR A 20 6.447 -18.245 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.205 -19.440 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.318 -19.559 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.697 -17.094 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.287 -19.429 2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.971 -16.211 0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.558 -18.552 3.529 1.00 0.00 H new ATOM 0 HH TYR A 20 1.097 -16.596 3.726 1.00 0.00 H new ATOM 262 N MET A 21 5.171 -15.829 -2.622 1.00 0.00 N ATOM 263 CA MET A 21 4.520 -15.043 -3.663 1.00 0.00 C ATOM 264 C MET A 21 5.400 -14.953 -4.906 1.00 0.00 C ATOM 265 O MET A 21 6.384 -14.213 -4.929 1.00 0.00 O ATOM 266 CB MET A 21 4.201 -13.639 -3.148 1.00 0.00 C ATOM 267 CG MET A 21 3.167 -13.621 -2.034 1.00 0.00 C ATOM 268 SD MET A 21 2.211 -12.093 -1.997 1.00 0.00 S ATOM 269 CE MET A 21 0.916 -12.531 -0.840 1.00 0.00 C ATOM 0 H MET A 21 5.924 -15.343 -2.135 1.00 0.00 H new ATOM 0 HA MET A 21 3.590 -15.543 -3.933 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.119 -13.176 -2.788 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.841 -13.030 -3.977 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.490 -14.466 -2.159 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.669 -13.754 -1.076 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.055 -12.282 -1.269 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.958 -13.601 -0.635 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.055 -11.978 0.089 1.00 0.00 H new ATOM 279 N ASP A 22 5.041 -15.711 -5.936 1.00 0.00 N ATOM 280 CA ASP A 22 5.798 -15.716 -7.183 1.00 0.00 C ATOM 281 C ASP A 22 5.033 -14.990 -8.286 1.00 0.00 C ATOM 282 O ASP A 22 3.840 -14.719 -8.151 1.00 0.00 O ATOM 283 CB ASP A 22 6.100 -17.152 -7.615 1.00 0.00 C ATOM 284 CG ASP A 22 6.574 -18.015 -6.463 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.717 -18.516 -5.705 1.00 0.00 O ATOM 286 OD2 ASP A 22 7.803 -18.190 -6.318 1.00 0.00 O ATOM 0 H ASP A 22 4.230 -16.330 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 22 6.738 -15.191 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.204 -17.593 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.862 -17.141 -8.395 1.00 0.00 H new ATOM 291 N GLU A 23 5.729 -14.678 -9.375 1.00 0.00 N ATOM 292 CA GLU A 23 5.115 -13.982 -10.499 1.00 0.00 C ATOM 293 C GLU A 23 3.687 -14.469 -10.727 1.00 0.00 C ATOM 294 O GLU A 23 2.820 -13.707 -11.152 1.00 0.00 O ATOM 295 CB GLU A 23 5.944 -14.188 -11.769 1.00 0.00 C ATOM 296 CG GLU A 23 7.287 -13.478 -11.740 1.00 0.00 C ATOM 297 CD GLU A 23 7.980 -13.487 -13.089 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.444 -14.567 -13.511 1.00 0.00 O ATOM 299 OE2 GLU A 23 8.059 -12.413 -13.722 1.00 0.00 O ATOM 0 H GLU A 23 6.717 -14.896 -9.502 1.00 0.00 H new ATOM 0 HA GLU A 23 5.084 -12.919 -10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.110 -15.255 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.373 -13.833 -12.627 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.142 -12.447 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.931 -13.956 -11.002 1.00 0.00 H new ATOM 306 N ASN A 24 3.451 -15.746 -10.441 1.00 0.00 N ATOM 307 CA ASN A 24 2.129 -16.336 -10.615 1.00 0.00 C ATOM 308 C ASN A 24 1.154 -15.806 -9.567 1.00 0.00 C ATOM 309 O ASN A 24 0.084 -15.296 -9.901 1.00 0.00 O ATOM 310 CB ASN A 24 2.212 -17.861 -10.525 1.00 0.00 C ATOM 311 CG ASN A 24 2.754 -18.486 -11.796 1.00 0.00 C ATOM 312 OD1 ASN A 24 2.140 -18.390 -12.859 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.910 -19.132 -11.692 1.00 0.00 N ATOM 0 H ASN A 24 4.158 -16.391 -10.088 1.00 0.00 H new ATOM 0 HA ASN A 24 1.761 -16.056 -11.602 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.850 -18.139 -9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.221 -18.265 -10.319 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.323 -19.573 -12.513 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.384 -19.187 -10.791 1.00 0.00 H new ATOM 320 N PHE A 25 1.532 -15.931 -8.299 1.00 0.00 N ATOM 321 CA PHE A 25 0.692 -15.465 -7.202 1.00 0.00 C ATOM 322 C PHE A 25 0.313 -13.999 -7.392 1.00 0.00 C ATOM 323 O PHE A 25 -0.868 -13.657 -7.463 1.00 0.00 O ATOM 324 CB PHE A 25 1.414 -15.648 -5.866 1.00 0.00 C ATOM 325 CG PHE A 25 0.582 -15.260 -4.677 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.236 -13.936 -4.460 1.00 0.00 C ATOM 327 CD2 PHE A 25 0.148 -16.219 -3.776 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.530 -13.575 -3.367 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.619 -15.864 -2.682 1.00 0.00 C ATOM 330 CZ PHE A 25 -0.957 -14.541 -2.476 1.00 0.00 C ATOM 0 H PHE A 25 2.414 -16.351 -8.006 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.221 -16.060 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.715 -16.691 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.327 -15.052 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.569 -13.177 -5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.412 -17.255 -3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.794 -12.540 -3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.954 -16.621 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.554 -14.262 -1.620 1.00 0.00 H new ATOM 340 N ILE A 26 1.322 -13.139 -7.472 1.00 0.00 N ATOM 341 CA ILE A 26 1.095 -11.710 -7.653 1.00 0.00 C ATOM 342 C ILE A 26 0.141 -11.449 -8.814 1.00 0.00 C ATOM 343 O ILE A 26 -0.833 -10.708 -8.676 1.00 0.00 O ATOM 344 CB ILE A 26 2.415 -10.959 -7.909 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.399 -11.209 -6.765 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.152 -9.469 -8.073 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.964 -10.603 -5.449 1.00 0.00 C ATOM 0 H ILE A 26 2.305 -13.406 -7.414 1.00 0.00 H new ATOM 0 HA ILE A 26 0.650 -11.341 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 26 2.857 -11.334 -8.832 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.528 -12.284 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.372 -10.802 -7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.094 -8.951 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.482 -9.309 -8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.691 -9.079 -7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.710 -10.820 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.863 -9.523 -5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.005 -11.028 -5.152 1.00 0.00 H new ATOM 359 N SER A 27 0.426 -12.063 -9.958 1.00 0.00 N ATOM 360 CA SER A 27 -0.405 -11.895 -11.144 1.00 0.00 C ATOM 361 C SER A 27 -1.846 -12.310 -10.861 1.00 0.00 C ATOM 362 O SER A 27 -2.789 -11.696 -11.359 1.00 0.00 O ATOM 363 CB SER A 27 0.155 -12.717 -12.306 1.00 0.00 C ATOM 364 OG SER A 27 -0.101 -14.099 -12.123 1.00 0.00 O ATOM 0 H SER A 27 1.227 -12.682 -10.088 1.00 0.00 H new ATOM 0 HA SER A 27 -0.396 -10.840 -11.417 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.293 -12.382 -13.242 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.229 -12.551 -12.389 1.00 0.00 H new ATOM 0 HG SER A 27 -0.011 -14.325 -11.174 1.00 0.00 H new ATOM 370 N ARG A 28 -2.006 -13.356 -10.057 1.00 0.00 N ATOM 371 CA ARG A 28 -3.331 -13.855 -9.707 1.00 0.00 C ATOM 372 C ARG A 28 -4.114 -12.812 -8.916 1.00 0.00 C ATOM 373 O ARG A 28 -5.288 -12.565 -9.187 1.00 0.00 O ATOM 374 CB ARG A 28 -3.215 -15.146 -8.895 1.00 0.00 C ATOM 375 CG ARG A 28 -3.178 -16.403 -9.749 1.00 0.00 C ATOM 376 CD ARG A 28 -3.644 -17.621 -8.969 1.00 0.00 C ATOM 377 NE ARG A 28 -3.215 -18.869 -9.594 1.00 0.00 N ATOM 378 CZ ARG A 28 -3.768 -19.368 -10.694 1.00 0.00 C ATOM 379 NH1 ARG A 28 -4.767 -18.728 -11.286 1.00 0.00 N ATOM 380 NH2 ARG A 28 -3.322 -20.509 -11.203 1.00 0.00 N ATOM 0 H ARG A 28 -1.235 -13.874 -9.636 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.869 -14.063 -10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.311 -15.103 -8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.058 -15.209 -8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.811 -16.267 -10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.163 -16.568 -10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.253 -17.572 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.731 -17.609 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.449 -19.386 -9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.112 -17.851 -10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.190 -19.113 -12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.554 -21.004 -10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.747 -20.891 -12.048 1.00 0.00 H new ATOM 394 N ALA A 29 -3.454 -12.202 -7.936 1.00 0.00 N ATOM 395 CA ALA A 29 -4.087 -11.185 -7.106 1.00 0.00 C ATOM 396 C ALA A 29 -4.715 -10.091 -7.963 1.00 0.00 C ATOM 397 O ALA A 29 -5.917 -9.839 -7.882 1.00 0.00 O ATOM 398 CB ALA A 29 -3.074 -10.586 -6.141 1.00 0.00 C ATOM 0 H ALA A 29 -2.481 -12.395 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.881 -11.662 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.560 -9.828 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.675 -11.371 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.260 -10.129 -6.705 1.00 0.00 H new ATOM 404 N PHE A 30 -3.894 -9.443 -8.782 1.00 0.00 N ATOM 405 CA PHE A 30 -4.369 -8.374 -9.653 1.00 0.00 C ATOM 406 C PHE A 30 -5.484 -8.873 -10.568 1.00 0.00 C ATOM 407 O PHE A 30 -6.563 -8.285 -10.626 1.00 0.00 O ATOM 408 CB PHE A 30 -3.216 -7.819 -10.491 1.00 0.00 C ATOM 409 CG PHE A 30 -2.279 -6.939 -9.714 1.00 0.00 C ATOM 410 CD1 PHE A 30 -2.582 -5.604 -9.497 1.00 0.00 C ATOM 411 CD2 PHE A 30 -1.097 -7.446 -9.200 1.00 0.00 C ATOM 412 CE1 PHE A 30 -1.721 -4.792 -8.783 1.00 0.00 C ATOM 413 CE2 PHE A 30 -0.232 -6.638 -8.485 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.546 -5.310 -8.275 1.00 0.00 C ATOM 0 H PHE A 30 -2.896 -9.639 -8.861 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.768 -7.578 -9.025 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.653 -8.650 -10.915 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.625 -7.252 -11.327 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.501 -5.194 -9.890 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.848 -8.485 -9.360 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.967 -3.753 -8.622 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.688 -7.045 -8.091 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.126 -4.677 -7.714 1.00 0.00 H new ATOM 424 N ALA A 31 -5.213 -9.961 -11.282 1.00 0.00 N ATOM 425 CA ALA A 31 -6.192 -10.540 -12.193 1.00 0.00 C ATOM 426 C ALA A 31 -7.518 -10.794 -11.484 1.00 0.00 C ATOM 427 O ALA A 31 -8.589 -10.555 -12.043 1.00 0.00 O ATOM 428 CB ALA A 31 -5.656 -11.831 -12.792 1.00 0.00 C ATOM 0 H ALA A 31 -4.323 -10.459 -11.247 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.371 -9.826 -12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.398 -12.253 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.738 -11.623 -13.342 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.448 -12.544 -11.994 1.00 0.00 H new ATOM 434 N THR A 32 -7.440 -11.282 -10.250 1.00 0.00 N ATOM 435 CA THR A 32 -8.634 -11.571 -9.465 1.00 0.00 C ATOM 436 C THR A 32 -9.450 -10.307 -9.220 1.00 0.00 C ATOM 437 O THR A 32 -10.680 -10.338 -9.236 1.00 0.00 O ATOM 438 CB THR A 32 -8.275 -12.208 -8.110 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.552 -13.426 -8.317 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.529 -12.489 -7.295 1.00 0.00 C ATOM 0 H THR A 32 -6.562 -11.486 -9.772 1.00 0.00 H new ATOM 0 HA THR A 32 -9.229 -12.278 -10.043 1.00 0.00 H new ATOM 0 HB THR A 32 -7.651 -11.505 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.606 -13.223 -8.470 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.250 -12.939 -6.342 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.062 -11.556 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.174 -13.174 -7.845 1.00 0.00 H new ATOM 448 N MET A 33 -8.757 -9.196 -8.993 1.00 0.00 N ATOM 449 CA MET A 33 -9.419 -7.920 -8.747 1.00 0.00 C ATOM 450 C MET A 33 -9.867 -7.278 -10.055 1.00 0.00 C ATOM 451 O MET A 33 -10.371 -6.156 -10.067 1.00 0.00 O ATOM 452 CB MET A 33 -8.482 -6.972 -7.995 1.00 0.00 C ATOM 453 CG MET A 33 -8.381 -7.271 -6.508 1.00 0.00 C ATOM 454 SD MET A 33 -9.964 -7.117 -5.659 1.00 0.00 S ATOM 455 CE MET A 33 -9.604 -5.791 -4.509 1.00 0.00 C ATOM 0 H MET A 33 -7.738 -9.153 -8.974 1.00 0.00 H new ATOM 0 HA MET A 33 -10.301 -8.109 -8.135 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.488 -7.030 -8.437 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.831 -5.948 -8.129 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.996 -8.281 -6.370 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.661 -6.591 -6.053 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.537 -5.340 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.062 -6.190 -3.652 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.994 -5.035 -5.004 1.00 0.00 H new ATOM 465 N GLY A 34 -9.680 -7.998 -11.158 1.00 0.00 N ATOM 466 CA GLY A 34 -10.070 -7.481 -12.456 1.00 0.00 C ATOM 467 C GLY A 34 -9.049 -6.518 -13.028 1.00 0.00 C ATOM 468 O GLY A 34 -9.409 -5.504 -13.624 1.00 0.00 O ATOM 0 H GLY A 34 -9.265 -8.930 -11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.208 -8.312 -13.148 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.032 -6.976 -12.368 1.00 0.00 H new ATOM 472 N GLU A 35 -7.771 -6.837 -12.846 1.00 0.00 N ATOM 473 CA GLU A 35 -6.695 -5.990 -13.347 1.00 0.00 C ATOM 474 C GLU A 35 -5.713 -6.799 -14.189 1.00 0.00 C ATOM 475 O GLU A 35 -5.153 -7.794 -13.728 1.00 0.00 O ATOM 476 CB GLU A 35 -5.957 -5.323 -12.184 1.00 0.00 C ATOM 477 CG GLU A 35 -6.818 -4.352 -11.393 1.00 0.00 C ATOM 478 CD GLU A 35 -6.045 -3.648 -10.295 1.00 0.00 C ATOM 479 OE1 GLU A 35 -5.404 -2.618 -10.589 1.00 0.00 O ATOM 480 OE2 GLU A 35 -6.082 -4.127 -9.142 1.00 0.00 O ATOM 0 H GLU A 35 -7.456 -7.674 -12.356 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.138 -5.219 -13.977 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.583 -6.095 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.088 -4.791 -12.573 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.237 -3.609 -12.071 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.657 -4.891 -10.953 1.00 0.00 H new ATOM 487 N THR A 36 -5.508 -6.365 -15.429 1.00 0.00 N ATOM 488 CA THR A 36 -4.596 -7.048 -16.338 1.00 0.00 C ATOM 489 C THR A 36 -3.161 -6.577 -16.133 1.00 0.00 C ATOM 490 O THR A 36 -2.746 -5.560 -16.688 1.00 0.00 O ATOM 491 CB THR A 36 -4.994 -6.822 -17.809 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.377 -7.144 -17.997 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.140 -7.672 -18.737 1.00 0.00 C ATOM 0 H THR A 36 -5.962 -5.543 -15.827 1.00 0.00 H new ATOM 0 HA THR A 36 -4.662 -8.112 -16.112 1.00 0.00 H new ATOM 0 HB THR A 36 -4.830 -5.772 -18.050 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.623 -6.996 -18.934 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.439 -7.496 -19.770 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.091 -7.405 -18.612 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.277 -8.726 -18.494 1.00 0.00 H new ATOM 501 N VAL A 37 -2.406 -7.324 -15.334 1.00 0.00 N ATOM 502 CA VAL A 37 -1.016 -6.984 -15.057 1.00 0.00 C ATOM 503 C VAL A 37 -0.131 -7.259 -16.268 1.00 0.00 C ATOM 504 O VAL A 37 -0.303 -8.262 -16.960 1.00 0.00 O ATOM 505 CB VAL A 37 -0.474 -7.772 -13.850 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.042 -9.168 -14.273 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.679 -7.023 -13.199 1.00 0.00 C ATOM 0 H VAL A 37 -2.734 -8.169 -14.867 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.991 -5.919 -14.826 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.273 -7.872 -13.116 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.338 -9.709 -13.407 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.896 -9.703 -14.689 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.742 -9.094 -15.027 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.050 -7.594 -12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.482 -6.890 -13.924 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.333 -6.047 -12.858 1.00 0.00 H new ATOM 517 N MET A 38 0.816 -6.361 -16.519 1.00 0.00 N ATOM 518 CA MET A 38 1.729 -6.509 -17.646 1.00 0.00 C ATOM 519 C MET A 38 2.877 -7.451 -17.296 1.00 0.00 C ATOM 520 O MET A 38 3.139 -8.417 -18.012 1.00 0.00 O ATOM 521 CB MET A 38 2.283 -5.145 -18.063 1.00 0.00 C ATOM 522 CG MET A 38 1.260 -4.261 -18.759 1.00 0.00 C ATOM 523 SD MET A 38 0.623 -4.997 -20.276 1.00 0.00 S ATOM 524 CE MET A 38 -1.142 -4.855 -20.006 1.00 0.00 C ATOM 0 H MET A 38 0.971 -5.524 -15.957 1.00 0.00 H new ATOM 0 HA MET A 38 1.172 -6.938 -18.479 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.657 -4.628 -17.179 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.134 -5.295 -18.728 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.431 -4.066 -18.078 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.715 -3.298 -18.990 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.675 -5.269 -20.862 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.418 -5.404 -19.106 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.408 -3.805 -19.886 1.00 0.00 H new ATOM 534 N SER A 39 3.558 -7.162 -16.192 1.00 0.00 N ATOM 535 CA SER A 39 4.680 -7.981 -15.750 1.00 0.00 C ATOM 536 C SER A 39 4.859 -7.888 -14.238 1.00 0.00 C ATOM 537 O SER A 39 4.299 -7.005 -13.588 1.00 0.00 O ATOM 538 CB SER A 39 5.967 -7.545 -16.455 1.00 0.00 C ATOM 539 OG SER A 39 6.864 -8.632 -16.598 1.00 0.00 O ATOM 0 H SER A 39 3.352 -6.367 -15.587 1.00 0.00 H new ATOM 0 HA SER A 39 4.465 -9.018 -16.010 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.727 -7.136 -17.436 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.445 -6.748 -15.886 1.00 0.00 H new ATOM 0 HG SER A 39 7.677 -8.328 -17.053 1.00 0.00 H new ATOM 545 N VAL A 40 5.643 -8.807 -13.683 1.00 0.00 N ATOM 546 CA VAL A 40 5.897 -8.829 -12.248 1.00 0.00 C ATOM 547 C VAL A 40 7.296 -9.356 -11.945 1.00 0.00 C ATOM 548 O VAL A 40 7.703 -10.398 -12.459 1.00 0.00 O ATOM 549 CB VAL A 40 4.862 -9.697 -11.508 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.607 -10.989 -12.269 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.328 -9.988 -10.089 1.00 0.00 C ATOM 0 H VAL A 40 6.113 -9.546 -14.206 1.00 0.00 H new ATOM 0 HA VAL A 40 5.815 -7.800 -11.897 1.00 0.00 H new ATOM 0 HB VAL A 40 3.924 -9.145 -11.452 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.873 -11.589 -11.731 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.227 -10.756 -13.264 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.538 -11.548 -12.358 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.585 -10.602 -9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.279 -10.520 -10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.455 -9.050 -9.548 1.00 0.00 H new ATOM 561 N LYS A 41 8.027 -8.630 -11.107 1.00 0.00 N ATOM 562 CA LYS A 41 9.380 -9.024 -10.733 1.00 0.00 C ATOM 563 C LYS A 41 9.503 -9.180 -9.221 1.00 0.00 C ATOM 564 O LYS A 41 9.310 -8.223 -8.471 1.00 0.00 O ATOM 565 CB LYS A 41 10.391 -7.989 -11.234 1.00 0.00 C ATOM 566 CG LYS A 41 11.781 -8.558 -11.461 1.00 0.00 C ATOM 567 CD LYS A 41 12.857 -7.509 -11.234 1.00 0.00 C ATOM 568 CE LYS A 41 12.966 -6.558 -12.416 1.00 0.00 C ATOM 569 NZ LYS A 41 13.736 -7.157 -13.541 1.00 0.00 N ATOM 0 H LYS A 41 7.705 -7.765 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 41 9.593 -9.986 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.026 -7.559 -12.167 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.454 -7.175 -10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.945 -9.400 -10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.856 -8.943 -12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.630 -6.943 -10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.816 -8.000 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.967 -6.292 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.449 -5.635 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.788 -6.478 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.698 -7.388 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.261 -8.024 -13.864 1.00 0.00 H new ATOM 583 N ILE A 42 9.827 -10.391 -8.780 1.00 0.00 N ATOM 584 CA ILE A 42 9.978 -10.671 -7.358 1.00 0.00 C ATOM 585 C ILE A 42 11.427 -10.501 -6.915 1.00 0.00 C ATOM 586 O ILE A 42 12.313 -11.231 -7.362 1.00 0.00 O ATOM 587 CB ILE A 42 9.511 -12.097 -7.012 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.193 -12.412 -7.723 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.357 -12.253 -5.506 1.00 0.00 C ATOM 590 CD1 ILE A 42 6.995 -11.725 -7.107 1.00 0.00 C ATOM 0 H ILE A 42 9.990 -11.194 -9.388 1.00 0.00 H new ATOM 0 HA ILE A 42 9.352 -9.954 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 42 10.266 -12.804 -7.356 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.274 -12.115 -8.769 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.031 -13.490 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.026 -13.266 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.315 -12.066 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.619 -11.539 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.096 -11.994 -7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.889 -12.040 -6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.136 -10.645 -7.145 1.00 0.00 H new ATOM 602 N ILE A 43 11.662 -9.535 -6.033 1.00 0.00 N ATOM 603 CA ILE A 43 13.003 -9.272 -5.528 1.00 0.00 C ATOM 604 C ILE A 43 13.423 -10.325 -4.507 1.00 0.00 C ATOM 605 O ILE A 43 12.980 -10.302 -3.359 1.00 0.00 O ATOM 606 CB ILE A 43 13.097 -7.878 -4.879 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.671 -6.798 -5.875 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.511 -7.620 -4.381 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.297 -6.958 -7.243 1.00 0.00 C ATOM 0 H ILE A 43 10.941 -8.922 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 43 13.676 -9.311 -6.385 1.00 0.00 H new ATOM 0 HB ILE A 43 12.421 -7.844 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.586 -6.816 -5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.937 -5.820 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.561 -6.631 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.780 -8.375 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.206 -7.669 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.951 -6.158 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.382 -6.910 -7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.010 -7.921 -7.664 1.00 0.00 H new ATOM 621 N ARG A 44 14.281 -11.246 -4.934 1.00 0.00 N ATOM 622 CA ARG A 44 14.761 -12.307 -4.058 1.00 0.00 C ATOM 623 C ARG A 44 16.281 -12.265 -3.935 1.00 0.00 C ATOM 624 O ARG A 44 16.963 -11.653 -4.756 1.00 0.00 O ATOM 625 CB ARG A 44 14.319 -13.673 -4.586 1.00 0.00 C ATOM 626 CG ARG A 44 12.812 -13.816 -4.721 1.00 0.00 C ATOM 627 CD ARG A 44 12.438 -15.076 -5.485 1.00 0.00 C ATOM 628 NE ARG A 44 12.676 -14.937 -6.919 1.00 0.00 N ATOM 629 CZ ARG A 44 12.419 -15.895 -7.803 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.918 -17.055 -7.401 1.00 0.00 N ATOM 631 NH2 ARG A 44 12.663 -15.693 -9.092 1.00 0.00 N ATOM 0 H ARG A 44 14.658 -11.278 -5.881 1.00 0.00 H new ATOM 0 HA ARG A 44 14.329 -12.150 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.780 -13.843 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.690 -14.449 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.358 -13.842 -3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.407 -12.944 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.015 -15.917 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.387 -15.306 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 44 13.061 -14.056 -7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.729 -17.213 -6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.722 -17.789 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.048 -14.802 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.465 -16.429 -9.770 1.00 0.00 H new ATOM 645 N ASN A 45 16.805 -12.918 -2.903 1.00 0.00 N ATOM 646 CA ASN A 45 18.245 -12.954 -2.672 1.00 0.00 C ATOM 647 C ASN A 45 18.922 -13.946 -3.613 1.00 0.00 C ATOM 648 O ASN A 45 18.255 -14.701 -4.321 1.00 0.00 O ATOM 649 CB ASN A 45 18.540 -13.330 -1.219 1.00 0.00 C ATOM 650 CG ASN A 45 19.843 -12.736 -0.721 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.917 -13.297 -0.937 1.00 0.00 O ATOM 652 ND2 ASN A 45 19.754 -11.594 -0.049 1.00 0.00 N ATOM 0 H ASN A 45 16.254 -13.429 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 45 18.645 -11.960 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.722 -12.988 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.581 -14.415 -1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.597 -11.147 0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.842 -11.164 0.107 1.00 0.00 H new ATOM 659 N ARG A 46 20.251 -13.938 -3.615 1.00 0.00 N ATOM 660 CA ARG A 46 21.019 -14.836 -4.469 1.00 0.00 C ATOM 661 C ARG A 46 21.440 -16.087 -3.704 1.00 0.00 C ATOM 662 O ARG A 46 21.530 -17.176 -4.273 1.00 0.00 O ATOM 663 CB ARG A 46 22.255 -14.121 -5.017 1.00 0.00 C ATOM 664 CG ARG A 46 22.740 -14.674 -6.347 1.00 0.00 C ATOM 665 CD ARG A 46 23.716 -15.823 -6.150 1.00 0.00 C ATOM 666 NE ARG A 46 24.135 -16.409 -7.421 1.00 0.00 N ATOM 667 CZ ARG A 46 23.359 -17.194 -8.160 1.00 0.00 C ATOM 668 NH1 ARG A 46 22.130 -17.486 -7.756 1.00 0.00 N ATOM 669 NH2 ARG A 46 23.811 -17.689 -9.304 1.00 0.00 N ATOM 0 H ARG A 46 20.818 -13.320 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 46 20.383 -15.137 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.029 -13.061 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.061 -14.196 -4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 46 21.887 -15.016 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.221 -13.880 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 46 24.592 -15.466 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.251 -16.591 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 46 25.075 -16.204 -7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.779 -17.108 -6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.536 -18.089 -8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 46 24.756 -17.467 -9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.214 -18.292 -9.870 1.00 0.00 H new ATOM 683 N LEU A 47 21.696 -15.925 -2.410 1.00 0.00 N ATOM 684 CA LEU A 47 22.108 -17.041 -1.566 1.00 0.00 C ATOM 685 C LEU A 47 20.902 -17.690 -0.895 1.00 0.00 C ATOM 686 O LEU A 47 20.741 -18.911 -0.927 1.00 0.00 O ATOM 687 CB LEU A 47 23.101 -16.564 -0.505 1.00 0.00 C ATOM 688 CG LEU A 47 24.570 -16.526 -0.929 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.028 -17.902 -1.387 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.781 -15.498 -2.030 1.00 0.00 C ATOM 0 H LEU A 47 21.625 -15.032 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 47 22.592 -17.784 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.809 -15.563 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.012 -17.214 0.366 1.00 0.00 H new ATOM 0 HG LEU A 47 25.170 -16.234 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.075 -17.856 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.914 -18.614 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 47 24.423 -18.223 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.832 -15.485 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.170 -15.760 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.492 -14.512 -1.667 1.00 0.00 H new ATOM 702 N THR A 48 20.053 -16.865 -0.288 1.00 0.00 N ATOM 703 CA THR A 48 18.861 -17.358 0.390 1.00 0.00 C ATOM 704 C THR A 48 17.711 -17.552 -0.592 1.00 0.00 C ATOM 705 O THR A 48 16.778 -18.310 -0.329 1.00 0.00 O ATOM 706 CB THR A 48 18.411 -16.396 1.506 1.00 0.00 C ATOM 707 OG1 THR A 48 18.246 -15.076 0.978 1.00 0.00 O ATOM 708 CG2 THR A 48 19.425 -16.372 2.640 1.00 0.00 C ATOM 0 H THR A 48 20.170 -15.852 -0.253 1.00 0.00 H new ATOM 0 HA THR A 48 19.124 -18.319 0.833 1.00 0.00 H new ATOM 0 HB THR A 48 17.458 -16.750 1.899 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.958 -14.471 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.086 -15.686 3.416 1.00 0.00 H new ATOM 0 HG22 THR A 48 19.526 -17.373 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.390 -16.040 2.258 1.00 0.00 H new ATOM 716 N GLY A 49 17.784 -16.862 -1.726 1.00 0.00 N ATOM 717 CA GLY A 49 16.743 -16.974 -2.731 1.00 0.00 C ATOM 718 C GLY A 49 15.378 -16.590 -2.195 1.00 0.00 C ATOM 719 O GLY A 49 14.357 -16.865 -2.826 1.00 0.00 O ATOM 0 H GLY A 49 18.545 -16.227 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.990 -16.335 -3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.709 -17.998 -3.103 1.00 0.00 H new ATOM 723 N ILE A 50 15.359 -15.955 -1.029 1.00 0.00 N ATOM 724 CA ILE A 50 14.108 -15.534 -0.409 1.00 0.00 C ATOM 725 C ILE A 50 13.703 -14.141 -0.879 1.00 0.00 C ATOM 726 O ILE A 50 14.529 -13.236 -1.002 1.00 0.00 O ATOM 727 CB ILE A 50 14.213 -15.535 1.128 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.544 -16.939 1.637 1.00 0.00 C ATOM 729 CG2 ILE A 50 12.918 -15.032 1.747 1.00 0.00 C ATOM 730 CD1 ILE A 50 14.510 -17.058 3.145 1.00 0.00 C ATOM 0 H ILE A 50 16.195 -15.720 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 50 13.347 -16.253 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 50 15.019 -14.863 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.836 -17.648 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.534 -17.222 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.007 -15.038 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.722 -14.016 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.095 -15.681 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.754 -18.080 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.238 -16.373 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.513 -16.807 3.507 1.00 0.00 H new ATOM 742 N PRO A 51 12.401 -13.962 -1.146 1.00 0.00 N ATOM 743 CA PRO A 51 11.856 -12.681 -1.605 1.00 0.00 C ATOM 744 C PRO A 51 11.878 -11.617 -0.512 1.00 0.00 C ATOM 745 O PRO A 51 11.213 -11.755 0.514 1.00 0.00 O ATOM 746 CB PRO A 51 10.414 -13.025 -1.987 1.00 0.00 C ATOM 747 CG PRO A 51 10.080 -14.222 -1.164 1.00 0.00 C ATOM 748 CD PRO A 51 11.361 -14.997 -1.021 1.00 0.00 C ATOM 0 HA PRO A 51 12.439 -12.260 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.739 -12.196 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.327 -13.240 -3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.690 -13.929 -0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.311 -14.825 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.416 -15.508 -0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.458 -15.760 -1.794 1.00 0.00 H new ATOM 756 N ALA A 52 12.646 -10.557 -0.740 1.00 0.00 N ATOM 757 CA ALA A 52 12.753 -9.469 0.224 1.00 0.00 C ATOM 758 C ALA A 52 11.401 -9.166 0.860 1.00 0.00 C ATOM 759 O ALA A 52 11.329 -8.717 2.004 1.00 0.00 O ATOM 760 CB ALA A 52 13.314 -8.224 -0.446 1.00 0.00 C ATOM 0 H ALA A 52 13.204 -10.428 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 52 13.436 -9.782 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.389 -7.419 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.303 -8.442 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.653 -7.918 -1.256 1.00 0.00 H new ATOM 766 N GLY A 53 10.330 -9.413 0.112 1.00 0.00 N ATOM 767 CA GLY A 53 8.995 -9.159 0.620 1.00 0.00 C ATOM 768 C GLY A 53 8.248 -8.127 -0.201 1.00 0.00 C ATOM 769 O GLY A 53 7.270 -7.542 0.265 1.00 0.00 O ATOM 0 H GLY A 53 10.363 -9.785 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.429 -10.091 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.062 -8.818 1.653 1.00 0.00 H new ATOM 773 N TYR A 54 8.711 -7.900 -1.426 1.00 0.00 N ATOM 774 CA TYR A 54 8.083 -6.928 -2.312 1.00 0.00 C ATOM 775 C TYR A 54 8.394 -7.241 -3.772 1.00 0.00 C ATOM 776 O TYR A 54 9.409 -7.866 -4.082 1.00 0.00 O ATOM 777 CB TYR A 54 8.556 -5.514 -1.970 1.00 0.00 C ATOM 778 CG TYR A 54 9.992 -5.245 -2.361 1.00 0.00 C ATOM 779 CD1 TYR A 54 11.036 -5.547 -1.494 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.304 -4.689 -3.595 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.349 -5.302 -1.847 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.615 -4.443 -3.956 1.00 0.00 C ATOM 783 CZ TYR A 54 12.633 -4.751 -3.078 1.00 0.00 C ATOM 784 OH TYR A 54 13.940 -4.505 -3.434 1.00 0.00 O ATOM 0 H TYR A 54 9.519 -8.376 -1.827 1.00 0.00 H new ATOM 0 HA TYR A 54 7.004 -6.988 -2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.910 -4.793 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.443 -5.352 -0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.817 -5.980 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.509 -4.445 -4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.149 -5.541 -1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.841 -4.012 -4.920 1.00 0.00 H new ATOM 0 HH TYR A 54 13.967 -4.116 -4.333 1.00 0.00 H new ATOM 794 N CYS A 55 7.514 -6.802 -4.665 1.00 0.00 N ATOM 795 CA CYS A 55 7.693 -7.035 -6.094 1.00 0.00 C ATOM 796 C CYS A 55 7.185 -5.849 -6.906 1.00 0.00 C ATOM 797 O CYS A 55 6.322 -5.096 -6.452 1.00 0.00 O ATOM 798 CB CYS A 55 6.964 -8.310 -6.520 1.00 0.00 C ATOM 799 SG CYS A 55 5.170 -8.126 -6.648 1.00 0.00 S ATOM 0 H CYS A 55 6.669 -6.283 -4.425 1.00 0.00 H new ATOM 0 HA CYS A 55 8.759 -7.154 -6.286 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.355 -8.634 -7.484 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.187 -9.100 -5.803 1.00 0.00 H new ATOM 0 HG CYS A 55 4.857 -7.754 -7.854 1.00 0.00 H new ATOM 805 N PHE A 56 7.726 -5.686 -8.109 1.00 0.00 N ATOM 806 CA PHE A 56 7.329 -4.589 -8.984 1.00 0.00 C ATOM 807 C PHE A 56 6.344 -5.070 -10.046 1.00 0.00 C ATOM 808 O PHE A 56 6.489 -6.162 -10.594 1.00 0.00 O ATOM 809 CB PHE A 56 8.558 -3.973 -9.655 1.00 0.00 C ATOM 810 CG PHE A 56 9.454 -3.234 -8.702 1.00 0.00 C ATOM 811 CD1 PHE A 56 9.068 -2.013 -8.174 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.681 -3.761 -8.334 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.889 -1.330 -7.296 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.507 -3.083 -7.457 1.00 0.00 C ATOM 815 CZ PHE A 56 11.111 -1.866 -6.938 1.00 0.00 C ATOM 0 H PHE A 56 8.441 -6.300 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 56 6.838 -3.831 -8.374 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.131 -4.763 -10.141 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.230 -3.289 -10.438 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.114 -1.589 -8.452 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.996 -4.712 -8.737 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.576 -0.379 -6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.461 -3.505 -7.178 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.755 -1.334 -6.254 1.00 0.00 H new ATOM 825 N VAL A 57 5.341 -4.245 -10.330 1.00 0.00 N ATOM 826 CA VAL A 57 4.331 -4.584 -11.326 1.00 0.00 C ATOM 827 C VAL A 57 4.276 -3.536 -12.432 1.00 0.00 C ATOM 828 O VAL A 57 4.252 -2.336 -12.161 1.00 0.00 O ATOM 829 CB VAL A 57 2.936 -4.716 -10.688 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.666 -6.158 -10.286 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.808 -3.787 -9.491 1.00 0.00 C ATOM 0 H VAL A 57 5.206 -3.337 -9.885 1.00 0.00 H new ATOM 0 HA VAL A 57 4.618 -5.544 -11.754 1.00 0.00 H new ATOM 0 HB VAL A 57 2.189 -4.425 -11.426 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.675 -6.231 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.713 -6.796 -11.168 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.416 -6.481 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.816 -3.893 -9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.563 -4.045 -8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.954 -2.756 -9.813 1.00 0.00 H new ATOM 841 N GLU A 58 4.255 -3.998 -13.678 1.00 0.00 N ATOM 842 CA GLU A 58 4.203 -3.099 -14.825 1.00 0.00 C ATOM 843 C GLU A 58 2.780 -2.988 -15.364 1.00 0.00 C ATOM 844 O GLU A 58 1.969 -3.900 -15.202 1.00 0.00 O ATOM 845 CB GLU A 58 5.142 -3.589 -15.929 1.00 0.00 C ATOM 846 CG GLU A 58 5.507 -2.515 -16.939 1.00 0.00 C ATOM 847 CD GLU A 58 6.872 -2.737 -17.560 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.884 -2.479 -16.874 1.00 0.00 O ATOM 849 OE2 GLU A 58 6.930 -3.167 -18.730 1.00 0.00 O ATOM 0 H GLU A 58 4.273 -4.989 -13.919 1.00 0.00 H new ATOM 0 HA GLU A 58 4.527 -2.112 -14.496 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.055 -3.973 -15.474 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.671 -4.422 -16.451 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.754 -2.491 -17.726 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.489 -1.541 -16.450 1.00 0.00 H new ATOM 856 N PHE A 59 2.483 -1.863 -16.007 1.00 0.00 N ATOM 857 CA PHE A 59 1.158 -1.631 -16.570 1.00 0.00 C ATOM 858 C PHE A 59 1.253 -0.865 -17.887 1.00 0.00 C ATOM 859 O PHE A 59 2.327 -0.405 -18.274 1.00 0.00 O ATOM 860 CB PHE A 59 0.288 -0.857 -15.578 1.00 0.00 C ATOM 861 CG PHE A 59 -0.196 -1.691 -14.427 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.585 -1.852 -13.294 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.433 -2.315 -14.478 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.143 -2.619 -12.233 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.880 -3.082 -13.419 1.00 0.00 C ATOM 866 CZ PHE A 59 -1.091 -3.236 -12.296 1.00 0.00 C ATOM 0 H PHE A 59 3.142 -1.098 -16.151 1.00 0.00 H new ATOM 0 HA PHE A 59 0.699 -2.600 -16.766 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.857 -0.012 -15.190 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.573 -0.446 -16.106 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.551 -1.372 -13.239 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.054 -2.200 -15.354 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.762 -2.736 -11.356 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.847 -3.561 -13.470 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.438 -3.838 -11.469 1.00 0.00 H new ATOM 876 N ALA A 60 0.121 -0.734 -18.570 1.00 0.00 N ATOM 877 CA ALA A 60 0.075 -0.023 -19.842 1.00 0.00 C ATOM 878 C ALA A 60 0.784 1.324 -19.745 1.00 0.00 C ATOM 879 O ALA A 60 1.655 1.638 -20.556 1.00 0.00 O ATOM 880 CB ALA A 60 -1.367 0.168 -20.288 1.00 0.00 C ATOM 0 H ALA A 60 -0.776 -1.111 -18.264 1.00 0.00 H new ATOM 0 HA ALA A 60 0.597 -0.625 -20.585 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.386 0.700 -21.239 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.843 -0.805 -20.407 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.906 0.746 -19.538 1.00 0.00 H new ATOM 886 N ASP A 61 0.404 2.116 -18.748 1.00 0.00 N ATOM 887 CA ASP A 61 1.004 3.429 -18.544 1.00 0.00 C ATOM 888 C ASP A 61 0.753 3.927 -17.124 1.00 0.00 C ATOM 889 O ASP A 61 0.074 3.268 -16.335 1.00 0.00 O ATOM 890 CB ASP A 61 0.445 4.431 -19.555 1.00 0.00 C ATOM 891 CG ASP A 61 -1.045 4.257 -19.780 1.00 0.00 C ATOM 892 OD1 ASP A 61 -1.788 4.167 -18.781 1.00 0.00 O ATOM 893 OD2 ASP A 61 -1.466 4.210 -20.955 1.00 0.00 O ATOM 0 H ASP A 61 -0.317 1.871 -18.069 1.00 0.00 H new ATOM 0 HA ASP A 61 2.080 3.336 -18.692 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.641 5.444 -19.204 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.969 4.316 -20.504 1.00 0.00 H new ATOM 898 N LEU A 62 1.304 5.092 -16.805 1.00 0.00 N ATOM 899 CA LEU A 62 1.141 5.678 -15.479 1.00 0.00 C ATOM 900 C LEU A 62 -0.329 5.954 -15.183 1.00 0.00 C ATOM 901 O LEU A 62 -0.836 5.599 -14.119 1.00 0.00 O ATOM 902 CB LEU A 62 1.947 6.974 -15.370 1.00 0.00 C ATOM 903 CG LEU A 62 1.888 7.690 -14.020 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.642 6.898 -12.963 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.452 9.098 -14.138 1.00 0.00 C ATOM 0 H LEU A 62 1.868 5.650 -17.446 1.00 0.00 H new ATOM 0 HA LEU A 62 1.513 4.963 -14.745 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.990 6.750 -15.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.596 7.662 -16.139 1.00 0.00 H new ATOM 0 HG LEU A 62 0.844 7.763 -13.714 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.589 7.423 -12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.193 5.910 -12.859 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.685 6.793 -13.262 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.402 9.592 -13.168 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.490 9.048 -14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.869 9.664 -14.864 1.00 0.00 H new ATOM 917 N ALA A 63 -1.010 6.589 -16.132 1.00 0.00 N ATOM 918 CA ALA A 63 -2.423 6.909 -15.975 1.00 0.00 C ATOM 919 C ALA A 63 -3.205 5.704 -15.462 1.00 0.00 C ATOM 920 O ALA A 63 -3.891 5.783 -14.443 1.00 0.00 O ATOM 921 CB ALA A 63 -3.004 7.395 -17.294 1.00 0.00 C ATOM 0 H ALA A 63 -0.605 6.892 -17.018 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.510 7.706 -15.237 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.060 7.630 -17.162 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.471 8.289 -17.619 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.898 6.615 -18.048 1.00 0.00 H new ATOM 927 N THR A 64 -3.098 4.587 -16.176 1.00 0.00 N ATOM 928 CA THR A 64 -3.796 3.366 -15.795 1.00 0.00 C ATOM 929 C THR A 64 -3.320 2.862 -14.437 1.00 0.00 C ATOM 930 O THR A 64 -4.123 2.453 -13.600 1.00 0.00 O ATOM 931 CB THR A 64 -3.596 2.254 -16.842 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.168 2.651 -18.093 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.232 0.953 -16.378 1.00 0.00 C ATOM 0 H THR A 64 -2.534 4.504 -17.022 1.00 0.00 H new ATOM 0 HA THR A 64 -4.856 3.613 -15.737 1.00 0.00 H new ATOM 0 HB THR A 64 -2.525 2.092 -16.967 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.533 3.219 -18.577 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.078 0.183 -17.134 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.774 0.638 -15.440 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.301 1.104 -16.227 1.00 0.00 H new ATOM 941 N ALA A 65 -2.008 2.893 -14.227 1.00 0.00 N ATOM 942 CA ALA A 65 -1.425 2.441 -12.969 1.00 0.00 C ATOM 943 C ALA A 65 -2.039 3.178 -11.784 1.00 0.00 C ATOM 944 O ALA A 65 -2.273 2.588 -10.729 1.00 0.00 O ATOM 945 CB ALA A 65 0.084 2.633 -12.988 1.00 0.00 C ATOM 0 H ALA A 65 -1.329 3.226 -14.911 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.644 1.379 -12.856 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.506 2.292 -12.043 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.514 2.056 -13.807 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.315 3.689 -13.128 1.00 0.00 H new ATOM 951 N GLU A 66 -2.297 4.469 -11.964 1.00 0.00 N ATOM 952 CA GLU A 66 -2.882 5.286 -10.907 1.00 0.00 C ATOM 953 C GLU A 66 -4.275 4.783 -10.540 1.00 0.00 C ATOM 954 O GLU A 66 -4.496 4.278 -9.439 1.00 0.00 O ATOM 955 CB GLU A 66 -2.956 6.750 -11.345 1.00 0.00 C ATOM 956 CG GLU A 66 -1.722 7.558 -10.978 1.00 0.00 C ATOM 957 CD GLU A 66 -1.641 8.872 -11.730 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.078 8.884 -12.845 1.00 0.00 O ATOM 959 OE2 GLU A 66 -2.139 9.889 -11.204 1.00 0.00 O ATOM 0 H GLU A 66 -2.110 4.972 -12.832 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.243 5.209 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.099 6.791 -12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.832 7.213 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.728 7.757 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.830 6.968 -11.188 1.00 0.00 H new ATOM 966 N LYS A 67 -5.214 4.925 -11.470 1.00 0.00 N ATOM 967 CA LYS A 67 -6.586 4.485 -11.247 1.00 0.00 C ATOM 968 C LYS A 67 -6.625 3.024 -10.812 1.00 0.00 C ATOM 969 O LYS A 67 -7.546 2.599 -10.114 1.00 0.00 O ATOM 970 CB LYS A 67 -7.416 4.671 -12.519 1.00 0.00 C ATOM 971 CG LYS A 67 -7.587 6.125 -12.926 1.00 0.00 C ATOM 972 CD LYS A 67 -6.459 6.586 -13.834 1.00 0.00 C ATOM 973 CE LYS A 67 -6.905 7.718 -14.746 1.00 0.00 C ATOM 974 NZ LYS A 67 -6.804 9.044 -14.075 1.00 0.00 N ATOM 0 H LYS A 67 -5.049 5.342 -12.386 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.011 5.095 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.941 4.127 -13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.400 4.226 -12.369 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.541 6.251 -13.437 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.618 6.752 -12.035 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.615 6.916 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.110 5.748 -14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.293 7.720 -15.648 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.935 7.547 -15.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.117 9.789 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.407 9.051 -13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.817 9.219 -13.798 1.00 0.00 H new ATOM 988 N CYS A 68 -5.620 2.261 -11.226 1.00 0.00 N ATOM 989 CA CYS A 68 -5.539 0.846 -10.878 1.00 0.00 C ATOM 990 C CYS A 68 -4.849 0.657 -9.531 1.00 0.00 C ATOM 991 O CYS A 68 -4.938 -0.409 -8.920 1.00 0.00 O ATOM 992 CB CYS A 68 -4.788 0.074 -11.963 1.00 0.00 C ATOM 993 SG CYS A 68 -5.790 -0.322 -13.415 1.00 0.00 S ATOM 0 H CYS A 68 -4.849 2.598 -11.803 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.554 0.457 -10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.925 0.660 -12.279 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.405 -0.853 -11.535 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.067 -0.973 -14.277 1.00 0.00 H new ATOM 999 N LEU A 69 -4.159 1.696 -9.074 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.451 1.644 -7.800 1.00 0.00 C ATOM 1001 C LEU A 69 -4.321 2.186 -6.671 1.00 0.00 C ATOM 1002 O LEU A 69 -4.141 1.828 -5.506 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.149 2.443 -7.884 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.677 3.097 -6.585 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -1.071 2.058 -5.654 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.675 4.203 -6.878 1.00 0.00 C ATOM 0 H LEU A 69 -4.075 2.585 -9.567 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.217 0.601 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.361 1.779 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.273 3.223 -8.636 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.541 3.540 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.741 2.542 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.819 1.301 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.218 1.585 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.350 4.657 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.187 3.785 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.143 4.961 -7.506 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.268 3.051 -7.023 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.169 3.641 -6.039 1.00 0.00 C ATOM 1020 C HIS A 70 -7.397 2.760 -5.830 1.00 0.00 C ATOM 1021 O HIS A 70 -8.117 2.904 -4.842 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.599 5.039 -6.485 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.501 6.055 -6.413 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.169 6.723 -5.253 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.657 6.515 -7.365 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.169 7.551 -5.496 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.839 7.444 -6.771 1.00 0.00 N ATOM 0 H HIS A 70 -5.431 3.359 -7.982 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.634 3.718 -5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.968 4.987 -7.509 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.431 5.370 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.631 6.208 -8.400 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.701 8.205 -4.775 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.098 7.966 -7.238 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.631 1.848 -6.768 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.771 0.943 -6.687 1.00 0.00 C ATOM 1037 C LYS A 71 -8.463 -0.241 -5.776 1.00 0.00 C ATOM 1038 O LYS A 71 -9.372 -0.918 -5.294 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.149 0.441 -8.082 1.00 0.00 C ATOM 1040 CG LYS A 71 -8.023 -0.290 -8.792 1.00 0.00 C ATOM 1041 CD LYS A 71 -8.021 -1.772 -8.457 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.149 -2.505 -9.166 1.00 0.00 C ATOM 1043 NZ LYS A 71 -8.988 -2.472 -10.646 1.00 0.00 N ATOM 0 H LYS A 71 -7.046 1.716 -7.593 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.611 1.494 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.008 -0.225 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.461 1.289 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.126 -0.160 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.067 0.149 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.065 -2.210 -8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.121 -1.903 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.179 -3.541 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.103 -2.053 -8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.729 -1.873 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.054 -2.083 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.069 -3.437 -11.026 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.178 -0.483 -5.542 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.751 -1.583 -4.686 1.00 0.00 C ATOM 1059 C ILE A 72 -5.923 -1.076 -3.511 1.00 0.00 C ATOM 1060 O ILE A 72 -5.580 -1.836 -2.607 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.926 -2.620 -5.471 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.181 -1.944 -6.624 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.828 -3.728 -5.994 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.442 -2.916 -7.518 1.00 0.00 C ATOM 0 H ILE A 72 -6.414 0.068 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.656 -2.060 -4.310 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.191 -3.063 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.894 -1.380 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.470 -1.226 -6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.231 -4.453 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.318 -4.224 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.583 -3.301 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.937 -2.367 -8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.705 -3.463 -6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.151 -3.619 -7.956 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.608 0.215 -3.530 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.821 0.825 -2.464 1.00 0.00 C ATOM 1078 C ASN A 73 -5.615 0.875 -1.162 1.00 0.00 C ATOM 1079 O ASN A 73 -6.216 1.896 -0.828 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.389 2.237 -2.865 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.120 3.123 -1.664 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -4.832 4.099 -1.427 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.089 2.786 -0.899 1.00 0.00 N ATOM 0 H ASN A 73 -5.885 0.859 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.934 0.212 -2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.490 2.178 -3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.166 2.690 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.860 3.345 -0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.526 1.968 -1.133 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.611 -0.234 -0.430 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.334 -0.296 0.827 1.00 0.00 C ATOM 1092 C GLY A 74 -7.327 -1.440 0.870 1.00 0.00 C ATOM 1093 O GLY A 74 -7.830 -1.797 1.935 1.00 0.00 O ATOM 0 H GLY A 74 -5.120 -1.091 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.623 -0.405 1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.861 0.645 0.986 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.614 -2.016 -0.293 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.554 -3.126 -0.386 1.00 0.00 C ATOM 1099 C LYS A 75 -7.890 -4.438 0.020 1.00 0.00 C ATOM 1100 O LYS A 75 -6.669 -4.586 -0.034 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.101 -3.240 -1.811 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.189 -2.228 -2.127 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.503 -2.594 -1.459 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.259 -3.648 -2.254 1.00 0.00 C ATOM 1105 NZ LYS A 75 -12.777 -3.105 -3.540 1.00 0.00 N ATOM 0 H LYS A 75 -7.208 -1.732 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.378 -2.929 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.281 -3.112 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.496 -4.245 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.874 -1.239 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.332 -2.171 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.310 -2.965 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.121 -1.702 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.601 -4.493 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.090 -4.026 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.548 -3.711 -3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.136 -2.140 -3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.010 -3.084 -4.242 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.711 -5.414 0.436 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.225 -6.731 0.858 1.00 0.00 C ATOM 1121 C PRO A 76 -7.683 -7.550 -0.308 1.00 0.00 C ATOM 1122 O PRO A 76 -8.346 -7.700 -1.335 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.472 -7.397 1.446 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.616 -6.724 0.769 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.177 -5.307 0.526 1.00 0.00 C ATOM 0 HA PRO A 76 -7.395 -6.654 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.475 -8.470 1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.519 -7.265 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.863 -7.222 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.510 -6.754 1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.607 -4.905 -0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.483 -4.647 1.338 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.475 -8.077 -0.144 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.844 -8.882 -1.184 1.00 0.00 C ATOM 1135 C LEU A 77 -6.324 -10.328 -1.120 1.00 0.00 C ATOM 1136 O LEU A 77 -6.247 -10.989 -0.084 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.322 -8.831 -1.042 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.558 -10.050 -1.562 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.575 -10.082 -3.082 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.128 -10.044 -1.042 1.00 0.00 C ATOM 0 H LEU A 77 -5.913 -7.961 0.699 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.127 -8.468 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.958 -7.948 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.080 -8.698 0.012 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.053 -10.949 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.027 -10.956 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.605 -10.135 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.105 -9.178 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.599 -10.918 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.622 -9.139 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.137 -10.070 0.048 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.831 -10.835 -2.254 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.331 -12.209 -2.353 1.00 0.00 C ATOM 1154 C PRO A 78 -6.211 -13.240 -2.278 1.00 0.00 C ATOM 1155 O PRO A 78 -5.046 -12.924 -2.516 1.00 0.00 O ATOM 1156 CB PRO A 78 -7.999 -12.245 -3.730 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.309 -11.182 -4.514 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.954 -10.104 -3.527 1.00 0.00 C ATOM 0 HA PRO A 78 -8.002 -12.458 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.884 -13.222 -4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.069 -12.051 -3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.416 -11.574 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.957 -10.794 -5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.023 -9.604 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.725 -9.335 -3.476 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.571 -14.476 -1.946 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.584 -15.536 -1.846 1.00 0.00 C ATOM 1168 C GLY A 79 -4.779 -15.459 -0.564 1.00 0.00 C ATOM 1169 O GLY A 79 -4.666 -16.443 0.166 1.00 0.00 O ATOM 0 H GLY A 79 -7.529 -14.763 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.086 -16.502 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.908 -15.481 -2.700 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.217 -14.286 -0.290 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.419 -14.084 0.913 1.00 0.00 C ATOM 1175 C ALA A 80 -3.957 -14.912 2.074 1.00 0.00 C ATOM 1176 O ALA A 80 -5.130 -14.807 2.435 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.387 -12.609 1.284 1.00 0.00 C ATOM 0 H ALA A 80 -4.300 -13.462 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.402 -14.417 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.788 -12.473 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.948 -12.038 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.402 -12.258 1.468 1.00 0.00 H new ATOM 1183 N THR A 81 -3.092 -15.737 2.658 1.00 0.00 N ATOM 1184 CA THR A 81 -3.482 -16.585 3.778 1.00 0.00 C ATOM 1185 C THR A 81 -2.730 -16.199 5.046 1.00 0.00 C ATOM 1186 O THR A 81 -1.501 -16.121 5.069 1.00 0.00 O ATOM 1187 CB THR A 81 -3.222 -18.072 3.473 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.025 -18.492 2.364 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.533 -18.935 4.686 1.00 0.00 C ATOM 0 H THR A 81 -2.117 -15.835 2.374 1.00 0.00 H new ATOM 0 HA THR A 81 -4.551 -16.435 3.932 1.00 0.00 H new ATOM 0 HB THR A 81 -2.168 -18.190 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.122 -17.750 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.342 -19.981 4.447 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.900 -18.632 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.580 -18.811 4.962 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.482 -15.952 6.129 1.00 0.00 N ATOM 1198 CA PRO A 82 -4.945 -16.042 6.114 1.00 0.00 C ATOM 1199 C PRO A 82 -5.585 -14.927 5.294 1.00 0.00 C ATOM 1200 O PRO A 82 -6.515 -15.165 4.524 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.324 -15.905 7.590 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.196 -15.150 8.203 1.00 0.00 C ATOM 1203 CD PRO A 82 -2.962 -15.567 7.452 1.00 0.00 C ATOM 0 HA PRO A 82 -5.292 -16.968 5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.267 -15.372 7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.448 -16.881 8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.357 -14.075 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.103 -15.380 9.264 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.241 -14.752 7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.455 -16.398 7.942 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.080 -13.709 5.464 1.00 0.00 N ATOM 1212 CA ALA A 83 -5.602 -12.558 4.738 1.00 0.00 C ATOM 1213 C ALA A 83 -4.715 -11.334 4.940 1.00 0.00 C ATOM 1214 O ALA A 83 -4.242 -11.073 6.046 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.027 -12.258 5.177 1.00 0.00 C ATOM 0 H ALA A 83 -4.310 -13.494 6.098 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.605 -12.801 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.404 -11.396 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.660 -13.122 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.041 -12.040 6.245 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.494 -10.585 3.865 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.664 -9.388 3.923 1.00 0.00 C ATOM 1223 C LYS A 84 -4.320 -8.234 3.170 1.00 0.00 C ATOM 1224 O LYS A 84 -5.357 -8.409 2.530 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.280 -9.672 3.337 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.422 -10.571 4.210 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.227 -11.116 3.446 1.00 0.00 C ATOM 1228 CE LYS A 84 0.964 -10.175 3.529 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.775 -10.413 4.755 1.00 0.00 N ATOM 0 H LYS A 84 -4.879 -10.786 2.942 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.556 -9.102 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.398 -10.136 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.760 -8.727 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.075 -10.012 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.024 -11.399 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.049 -12.091 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.500 -11.268 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.592 -10.305 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.613 -9.143 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.366 -9.579 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.142 -10.583 5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.385 -11.243 4.612 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.708 -7.057 3.250 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.233 -5.876 2.576 1.00 0.00 C ATOM 1245 C ARG A 85 -3.353 -5.492 1.390 1.00 0.00 C ATOM 1246 O ARG A 85 -2.126 -5.566 1.463 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.328 -4.704 3.555 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.433 -3.717 3.216 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.747 -4.103 3.877 1.00 0.00 C ATOM 1250 NE ARG A 85 -6.660 -4.063 5.334 1.00 0.00 N ATOM 1251 CZ ARG A 85 -7.686 -4.317 6.139 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -8.870 -4.629 5.630 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -7.528 -4.260 7.455 1.00 0.00 N ATOM 0 H ARG A 85 -2.848 -6.896 3.775 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.230 -6.112 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.495 -5.093 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.374 -4.177 3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.142 -2.718 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.567 -3.676 2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.533 -3.427 3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.032 -5.106 3.558 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.762 -3.827 5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.994 -4.674 4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.656 -4.824 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.618 -4.021 7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.316 -4.455 8.072 1.00 0.00 H new ATOM 1267 N PHE A 86 -3.988 -5.080 0.298 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.264 -4.685 -0.905 1.00 0.00 C ATOM 1269 C PHE A 86 -2.307 -3.534 -0.610 1.00 0.00 C ATOM 1270 O PHE A 86 -2.719 -2.376 -0.522 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.245 -4.279 -2.007 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.630 -5.413 -2.914 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.671 -6.071 -3.667 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.950 -5.820 -3.014 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.022 -7.113 -4.504 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.307 -6.863 -3.848 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.342 -7.511 -4.593 1.00 0.00 C ATOM 0 H PHE A 86 -5.003 -5.011 0.221 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.681 -5.541 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.145 -3.869 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.800 -3.482 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.637 -5.766 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.709 -5.317 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.265 -7.616 -5.088 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.340 -7.171 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.618 -8.327 -5.244 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.028 -3.859 -0.458 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.011 -2.854 -0.173 1.00 0.00 C ATOM 1289 C LYS A 87 0.615 -2.333 -1.463 1.00 0.00 C ATOM 1290 O LYS A 87 1.501 -2.969 -2.036 1.00 0.00 O ATOM 1291 CB LYS A 87 1.074 -3.439 0.733 1.00 0.00 C ATOM 1292 CG LYS A 87 1.839 -2.389 1.521 1.00 0.00 C ATOM 1293 CD LYS A 87 1.153 -2.073 2.840 1.00 0.00 C ATOM 1294 CE LYS A 87 1.490 -3.106 3.905 1.00 0.00 C ATOM 1295 NZ LYS A 87 0.446 -3.170 4.965 1.00 0.00 N ATOM 0 H LYS A 87 -0.671 -4.812 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.492 -2.021 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.615 -4.141 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.777 -4.008 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.852 -2.743 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.926 -1.479 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.457 -1.084 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.074 -2.041 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.596 -4.086 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.452 -2.862 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.451 -4.114 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.645 -2.453 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.487 -2.987 4.544 1.00 0.00 H new ATOM 1309 N LEU A 88 0.151 -1.173 -1.915 1.00 0.00 N ATOM 1310 CA LEU A 88 0.666 -0.566 -3.137 1.00 0.00 C ATOM 1311 C LEU A 88 1.144 0.860 -2.877 1.00 0.00 C ATOM 1312 O LEU A 88 0.587 1.568 -2.039 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.410 -0.565 -4.223 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.171 -1.878 -4.415 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.219 -1.732 -5.507 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.208 -3.009 -4.745 1.00 0.00 C ATOM 0 H LEU A 88 -0.581 -0.634 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 88 1.515 -1.158 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.131 0.219 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.058 -0.298 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.679 -2.121 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.750 -2.676 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.927 -0.950 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.732 -1.465 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.767 -3.935 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.329 -2.773 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.505 -3.129 -3.929 1.00 0.00 H new ATOM 1328 N ASN A 89 2.177 1.274 -3.603 1.00 0.00 N ATOM 1329 CA ASN A 89 2.728 2.615 -3.452 1.00 0.00 C ATOM 1330 C ASN A 89 3.443 3.056 -4.726 1.00 0.00 C ATOM 1331 O ASN A 89 3.846 2.227 -5.543 1.00 0.00 O ATOM 1332 CB ASN A 89 3.697 2.661 -2.269 1.00 0.00 C ATOM 1333 CG ASN A 89 2.992 2.488 -0.938 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.039 3.368 -0.654 1.00 0.00 O flip ATOM 1335 ND2 ASN A 89 3.300 1.573 -0.174 1.00 0.00 N flip ATOM 0 H ASN A 89 2.649 0.700 -4.302 1.00 0.00 H new ATOM 0 HA ASN A 89 1.902 3.301 -3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.446 1.877 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.228 3.613 -2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.039 0.919 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.816 1.469 0.718 1.00 0.00 H new ATOM 1342 N TYR A 90 3.598 4.365 -4.889 1.00 0.00 N ATOM 1343 CA TYR A 90 4.262 4.917 -6.063 1.00 0.00 C ATOM 1344 C TYR A 90 5.682 4.373 -6.191 1.00 0.00 C ATOM 1345 O TYR A 90 6.427 4.317 -5.214 1.00 0.00 O ATOM 1346 CB TYR A 90 4.293 6.444 -5.988 1.00 0.00 C ATOM 1347 CG TYR A 90 2.987 7.097 -6.381 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.293 6.682 -7.511 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.448 8.128 -5.623 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.100 7.275 -7.874 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.254 8.727 -5.978 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.584 8.297 -7.104 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.604 8.891 -7.462 1.00 0.00 O ATOM 0 H TYR A 90 3.272 5.064 -4.222 1.00 0.00 H new ATOM 0 HA TYR A 90 3.696 4.616 -6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.548 6.744 -4.972 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.085 6.815 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.694 5.882 -8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.971 8.468 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.574 6.941 -8.756 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.848 9.527 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.828 9.592 -6.814 1.00 0.00 H new ATOM 1363 N ALA A 91 6.049 3.975 -7.405 1.00 0.00 N ATOM 1364 CA ALA A 91 7.380 3.439 -7.663 1.00 0.00 C ATOM 1365 C ALA A 91 8.462 4.415 -7.214 1.00 0.00 C ATOM 1366 O ALA A 91 9.624 4.040 -7.053 1.00 0.00 O ATOM 1367 CB ALA A 91 7.540 3.114 -9.141 1.00 0.00 C ATOM 0 H ALA A 91 5.443 4.014 -8.225 1.00 0.00 H new ATOM 0 HA ALA A 91 7.493 2.521 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.538 2.715 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.795 2.374 -9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.401 4.021 -9.730 1.00 0.00 H new