USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 680 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 16 SER OG : rot 76:sc= 1.24 USER MOD Set 1.2: A 161 MET CE :methyl -166:sc=-0.00109 (180deg=-0.183) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0) USER MOD Set 2.2: A 163 SER OG : rot 19:sc= 1.18 USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0.589 USER MOD Set 3.2: A 44 GLN : amide:sc= 0.666 K(o=1.3,f=-0.21!) USER MOD Single : A 5 ASN : amide:sc= 1.38 K(o=1.4,f=-3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 46:sc= 1.21 USER MOD Single : A 43 TYR OH : rot -62:sc= 0.00775 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 1.6 K(o=1.6,f=-8.9!) USER MOD Single : A 80 THR OG1 : rot -66:sc= 0.868 USER MOD Single : A 82 LYS NZ :NH3+ 141:sc= 1.7 (180deg=0.531) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 0:sc= 0.811 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -169:sc= -0.0184 (180deg=-0.192) USER MOD Single : A 120 SER OG : rot 12:sc= 1.76 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 4:sc= 1.15 USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= 0.894 K(o=0.89,f=-0.049) USER MOD Single : A 167 SER OG : rot 98:sc= 0.578 USER MOD Single : A 168 TYR OH : rot 168:sc= -0.0316 USER MOD ----------------------------------------------------------------- ATOM 59 N ASN A 5 -13.134 -16.190 -4.075 1.00 0.00 N ATOM 60 CA ASN A 5 -13.084 -14.846 -3.499 1.00 0.00 C ATOM 61 C ASN A 5 -12.772 -14.824 -1.992 1.00 0.00 C ATOM 62 O ASN A 5 -13.507 -15.384 -1.178 1.00 0.00 O ATOM 63 CB ASN A 5 -14.304 -13.984 -3.898 1.00 0.00 C ATOM 64 CG ASN A 5 -14.652 -12.941 -2.842 1.00 0.00 C ATOM 65 OD1 ASN A 5 -15.663 -13.061 -2.151 1.00 0.00 O ATOM 66 ND2 ASN A 5 -13.803 -11.939 -2.660 1.00 0.00 N ATOM 0 HA ASN A 5 -12.220 -14.363 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.097 -13.484 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.165 -14.632 -4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.981 -11.245 -1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.972 -11.862 -3.246 1.00 0.00 H new ATOM 73 N THR A 6 -11.732 -14.071 -1.616 1.00 0.00 N ATOM 74 CA THR A 6 -11.330 -13.824 -0.234 1.00 0.00 C ATOM 75 C THR A 6 -11.349 -12.309 0.024 1.00 0.00 C ATOM 76 O THR A 6 -11.242 -11.504 -0.907 1.00 0.00 O ATOM 77 CB THR A 6 -9.962 -14.488 0.024 1.00 0.00 C ATOM 78 OG1 THR A 6 -10.051 -15.874 -0.225 1.00 0.00 O ATOM 79 CG2 THR A 6 -9.476 -14.350 1.471 1.00 0.00 C ATOM 0 H THR A 6 -11.129 -13.602 -2.292 1.00 0.00 H new ATOM 0 HA THR A 6 -12.026 -14.272 0.475 1.00 0.00 H new ATOM 0 HB THR A 6 -9.263 -13.978 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.180 -16.292 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.508 -14.840 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.377 -13.294 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.196 -14.817 2.143 1.00 0.00 H new ATOM 87 N TRP A 7 -11.513 -11.921 1.293 1.00 0.00 N ATOM 88 CA TRP A 7 -11.695 -10.544 1.736 1.00 0.00 C ATOM 89 C TRP A 7 -10.575 -10.212 2.715 1.00 0.00 C ATOM 90 O TRP A 7 -10.319 -10.994 3.631 1.00 0.00 O ATOM 91 CB TRP A 7 -13.079 -10.381 2.384 1.00 0.00 C ATOM 92 CG TRP A 7 -14.253 -10.464 1.451 1.00 0.00 C ATOM 93 CD1 TRP A 7 -14.602 -11.540 0.708 1.00 0.00 C ATOM 94 CD2 TRP A 7 -15.242 -9.435 1.138 1.00 0.00 C ATOM 95 NE1 TRP A 7 -15.691 -11.233 -0.078 1.00 0.00 N ATOM 96 CE2 TRP A 7 -16.137 -9.949 0.152 1.00 0.00 C ATOM 97 CE3 TRP A 7 -15.458 -8.106 1.566 1.00 0.00 C ATOM 98 CZ2 TRP A 7 -17.175 -9.182 -0.396 1.00 0.00 C ATOM 99 CZ3 TRP A 7 -16.502 -7.328 1.029 1.00 0.00 C ATOM 100 CH2 TRP A 7 -17.356 -7.861 0.047 1.00 0.00 C ATOM 0 H TRP A 7 -11.522 -12.587 2.066 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.650 -9.855 0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -13.193 -11.148 3.150 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -13.110 -9.417 2.892 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -14.101 -12.497 0.728 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -16.115 -11.876 -0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -14.811 -7.679 2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -17.827 -9.601 -1.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -16.648 -6.315 1.374 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -18.150 -7.256 -0.366 1.00 0.00 H new ATOM 111 N TYR A 8 -9.884 -9.089 2.500 1.00 0.00 N ATOM 112 CA TYR A 8 -8.758 -8.630 3.310 1.00 0.00 C ATOM 113 C TYR A 8 -9.186 -7.350 4.030 1.00 0.00 C ATOM 114 O TYR A 8 -9.876 -6.532 3.419 1.00 0.00 O ATOM 115 CB TYR A 8 -7.536 -8.303 2.425 1.00 0.00 C ATOM 116 CG TYR A 8 -6.852 -9.392 1.602 1.00 0.00 C ATOM 117 CD1 TYR A 8 -7.317 -10.724 1.544 1.00 0.00 C ATOM 118 CD2 TYR A 8 -5.702 -9.039 0.867 1.00 0.00 C ATOM 119 CE1 TYR A 8 -6.664 -11.679 0.745 1.00 0.00 C ATOM 120 CE2 TYR A 8 -5.038 -9.988 0.070 1.00 0.00 C ATOM 121 CZ TYR A 8 -5.521 -11.311 0.001 1.00 0.00 C ATOM 122 OH TYR A 8 -4.897 -12.215 -0.803 1.00 0.00 O ATOM 0 H TYR A 8 -10.102 -8.455 1.731 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.481 -9.416 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.844 -7.522 1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.777 -7.869 3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.184 -11.012 2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.327 -8.028 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.036 -12.692 0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.159 -9.704 -0.489 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.130 -11.790 -1.240 1.00 0.00 H new ATOM 132 N THR A 9 -8.758 -7.124 5.279 1.00 0.00 N ATOM 133 CA THR A 9 -8.750 -5.776 5.855 1.00 0.00 C ATOM 134 C THR A 9 -7.633 -5.614 6.889 1.00 0.00 C ATOM 135 O THR A 9 -7.149 -6.601 7.451 1.00 0.00 O ATOM 136 CB THR A 9 -10.154 -5.393 6.378 1.00 0.00 C ATOM 137 OG1 THR A 9 -10.223 -4.032 6.766 1.00 0.00 O ATOM 138 CG2 THR A 9 -10.617 -6.257 7.557 1.00 0.00 C ATOM 0 H THR A 9 -8.415 -7.853 5.905 1.00 0.00 H new ATOM 0 HA THR A 9 -8.517 -5.059 5.068 1.00 0.00 H new ATOM 0 HB THR A 9 -10.821 -5.572 5.535 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.802 -3.474 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.609 -5.936 7.876 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.655 -7.302 7.249 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.917 -6.148 8.385 1.00 0.00 H new ATOM 146 N GLY A 10 -7.238 -4.362 7.141 1.00 0.00 N ATOM 147 CA GLY A 10 -6.200 -3.982 8.077 1.00 0.00 C ATOM 148 C GLY A 10 -5.899 -2.495 7.947 1.00 0.00 C ATOM 149 O GLY A 10 -6.820 -1.687 7.802 1.00 0.00 O ATOM 0 H GLY A 10 -7.657 -3.559 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.516 -4.210 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.297 -4.562 7.886 1.00 0.00 H new ATOM 153 N ALA A 11 -4.619 -2.124 8.056 1.00 0.00 N ATOM 154 CA ALA A 11 -4.218 -0.737 8.284 1.00 0.00 C ATOM 155 C ALA A 11 -2.935 -0.395 7.540 1.00 0.00 C ATOM 156 O ALA A 11 -2.128 -1.281 7.245 1.00 0.00 O ATOM 157 CB ALA A 11 -4.057 -0.489 9.789 1.00 0.00 C ATOM 0 H ALA A 11 -3.837 -2.775 7.989 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.999 -0.085 7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.758 0.546 9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.005 -0.679 10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.294 -1.157 10.188 1.00 0.00 H new ATOM 163 N LYS A 12 -2.755 0.900 7.250 1.00 0.00 N ATOM 164 CA LYS A 12 -1.658 1.411 6.444 1.00 0.00 C ATOM 165 C LYS A 12 -1.115 2.720 7.001 1.00 0.00 C ATOM 166 O LYS A 12 -1.817 3.462 7.692 1.00 0.00 O ATOM 167 CB LYS A 12 -2.111 1.536 4.972 1.00 0.00 C ATOM 168 CG LYS A 12 -3.156 2.619 4.647 1.00 0.00 C ATOM 169 CD LYS A 12 -2.550 3.994 4.322 1.00 0.00 C ATOM 170 CE LYS A 12 -3.637 4.879 3.715 1.00 0.00 C ATOM 171 NZ LYS A 12 -3.108 6.109 3.098 1.00 0.00 N ATOM 0 H LYS A 12 -3.386 1.631 7.580 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.829 0.704 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.228 1.725 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.514 0.573 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.756 2.288 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.833 2.723 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.150 4.454 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.719 3.885 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.183 4.309 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.353 5.149 4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.863 6.580 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.761 6.749 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.326 5.867 2.457 1.00 0.00 H new ATOM 185 N LEU A 13 0.115 3.029 6.599 1.00 0.00 N ATOM 186 CA LEU A 13 0.748 4.333 6.698 1.00 0.00 C ATOM 187 C LEU A 13 0.855 4.871 5.270 1.00 0.00 C ATOM 188 O LEU A 13 0.830 4.104 4.304 1.00 0.00 O ATOM 189 CB LEU A 13 2.144 4.224 7.343 1.00 0.00 C ATOM 190 CG LEU A 13 2.141 4.347 8.880 1.00 0.00 C ATOM 191 CD1 LEU A 13 1.429 3.181 9.580 1.00 0.00 C ATOM 192 CD2 LEU A 13 3.588 4.425 9.385 1.00 0.00 C ATOM 0 H LEU A 13 0.728 2.334 6.172 1.00 0.00 H new ATOM 0 HA LEU A 13 0.163 5.001 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.586 3.266 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.785 5.002 6.929 1.00 0.00 H new ATOM 0 HG LEU A 13 1.588 5.254 9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.463 3.329 10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.390 3.139 9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.927 2.245 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.590 4.512 10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.125 3.523 9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.079 5.296 8.950 1.00 0.00 H new ATOM 204 N GLY A 14 0.994 6.187 5.149 1.00 0.00 N ATOM 205 CA GLY A 14 1.227 6.887 3.900 1.00 0.00 C ATOM 206 C GLY A 14 2.406 7.834 4.049 1.00 0.00 C ATOM 207 O GLY A 14 2.830 8.136 5.167 1.00 0.00 O ATOM 0 H GLY A 14 0.945 6.815 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.424 6.170 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.335 7.445 3.614 1.00 0.00 H new ATOM 211 N PHE A 15 2.925 8.315 2.920 1.00 0.00 N ATOM 212 CA PHE A 15 3.958 9.342 2.879 1.00 0.00 C ATOM 213 C PHE A 15 3.758 10.177 1.617 1.00 0.00 C ATOM 214 O PHE A 15 3.316 9.647 0.595 1.00 0.00 O ATOM 215 CB PHE A 15 5.355 8.688 2.953 1.00 0.00 C ATOM 216 CG PHE A 15 6.533 9.532 2.484 1.00 0.00 C ATOM 217 CD1 PHE A 15 6.797 9.681 1.106 1.00 0.00 C ATOM 218 CD2 PHE A 15 7.378 10.158 3.420 1.00 0.00 C ATOM 219 CE1 PHE A 15 7.869 10.480 0.672 1.00 0.00 C ATOM 220 CE2 PHE A 15 8.448 10.960 2.986 1.00 0.00 C ATOM 221 CZ PHE A 15 8.692 11.123 1.612 1.00 0.00 C ATOM 0 H PHE A 15 2.633 7.996 1.996 1.00 0.00 H new ATOM 0 HA PHE A 15 3.884 10.008 3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.538 8.393 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.334 7.774 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.173 9.179 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.203 10.021 4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.060 10.600 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 15 9.083 11.451 3.709 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.512 11.742 1.279 1.00 0.00 H new ATOM 231 N SER A 16 4.106 11.467 1.679 1.00 0.00 N ATOM 232 CA SER A 16 4.139 12.349 0.513 1.00 0.00 C ATOM 233 C SER A 16 4.966 13.589 0.850 1.00 0.00 C ATOM 234 O SER A 16 4.459 14.524 1.470 1.00 0.00 O ATOM 235 CB SER A 16 2.711 12.722 0.076 1.00 0.00 C ATOM 236 OG SER A 16 2.697 13.511 -1.101 1.00 0.00 O ATOM 0 H SER A 16 4.374 11.929 2.548 1.00 0.00 H new ATOM 0 HA SER A 16 4.607 11.834 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.136 11.812 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.218 13.266 0.881 1.00 0.00 H new ATOM 0 HG SER A 16 2.879 12.942 -1.878 1.00 0.00 H new ATOM 509 N LEU A 35 4.028 12.439 6.325 1.00 0.00 N ATOM 510 CA LEU A 35 3.424 11.152 6.662 1.00 0.00 C ATOM 511 C LEU A 35 1.903 11.200 6.447 1.00 0.00 C ATOM 512 O LEU A 35 1.309 12.257 6.226 1.00 0.00 O ATOM 513 CB LEU A 35 3.769 10.766 8.122 1.00 0.00 C ATOM 514 CG LEU A 35 5.051 9.935 8.344 1.00 0.00 C ATOM 515 CD1 LEU A 35 5.002 8.571 7.642 1.00 0.00 C ATOM 516 CD2 LEU A 35 6.331 10.679 7.953 1.00 0.00 C ATOM 0 HA LEU A 35 3.832 10.387 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.856 11.684 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.928 10.207 8.532 1.00 0.00 H new ATOM 0 HG LEU A 35 5.084 9.765 9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.929 8.030 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.160 7.994 8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.882 8.718 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.194 10.038 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.290 10.943 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.421 11.586 8.550 1.00 0.00 H new ATOM 528 N GLY A 36 1.272 10.032 6.548 1.00 0.00 N ATOM 529 CA GLY A 36 -0.162 9.819 6.589 1.00 0.00 C ATOM 530 C GLY A 36 -0.447 8.443 7.191 1.00 0.00 C ATOM 531 O GLY A 36 0.490 7.689 7.475 1.00 0.00 O ATOM 0 H GLY A 36 1.789 9.155 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.641 10.596 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.581 9.884 5.585 1.00 0.00 H new ATOM 535 N ALA A 37 -1.726 8.108 7.390 1.00 0.00 N ATOM 536 CA ALA A 37 -2.165 6.788 7.816 1.00 0.00 C ATOM 537 C ALA A 37 -3.627 6.565 7.436 1.00 0.00 C ATOM 538 O ALA A 37 -4.352 7.518 7.129 1.00 0.00 O ATOM 539 CB ALA A 37 -1.975 6.631 9.333 1.00 0.00 C ATOM 0 H ALA A 37 -2.495 8.764 7.255 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.559 6.037 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.307 5.639 9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.921 6.755 9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.562 7.388 9.853 1.00 0.00 H new ATOM 545 N GLY A 38 -4.068 5.306 7.512 1.00 0.00 N ATOM 546 CA GLY A 38 -5.456 4.938 7.304 1.00 0.00 C ATOM 547 C GLY A 38 -5.731 3.478 7.652 1.00 0.00 C ATOM 548 O GLY A 38 -4.816 2.707 7.953 1.00 0.00 O ATOM 0 H GLY A 38 -3.461 4.514 7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.094 5.580 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.724 5.117 6.263 1.00 0.00 H new ATOM 552 N ALA A 39 -7.007 3.100 7.568 1.00 0.00 N ATOM 553 CA ALA A 39 -7.460 1.715 7.530 1.00 0.00 C ATOM 554 C ALA A 39 -7.774 1.363 6.074 1.00 0.00 C ATOM 555 O ALA A 39 -8.064 2.261 5.279 1.00 0.00 O ATOM 556 CB ALA A 39 -8.693 1.551 8.424 1.00 0.00 C ATOM 0 H ALA A 39 -7.774 3.771 7.523 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.691 1.041 7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.029 0.515 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.438 1.820 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.491 2.202 8.066 1.00 0.00 H new ATOM 562 N PHE A 40 -7.759 0.075 5.716 1.00 0.00 N ATOM 563 CA PHE A 40 -8.151 -0.352 4.377 1.00 0.00 C ATOM 564 C PHE A 40 -8.723 -1.770 4.378 1.00 0.00 C ATOM 565 O PHE A 40 -8.613 -2.515 5.359 1.00 0.00 O ATOM 566 CB PHE A 40 -6.977 -0.177 3.389 1.00 0.00 C ATOM 567 CG PHE A 40 -5.897 -1.240 3.397 1.00 0.00 C ATOM 568 CD1 PHE A 40 -4.950 -1.283 4.437 1.00 0.00 C ATOM 569 CD2 PHE A 40 -5.792 -2.144 2.320 1.00 0.00 C ATOM 570 CE1 PHE A 40 -3.902 -2.217 4.391 1.00 0.00 C ATOM 571 CE2 PHE A 40 -4.741 -3.074 2.278 1.00 0.00 C ATOM 572 CZ PHE A 40 -3.788 -3.107 3.310 1.00 0.00 C ATOM 0 H PHE A 40 -7.480 -0.685 6.336 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.960 0.292 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.389 -0.123 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.505 0.784 3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.029 -0.599 5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.522 -2.121 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.179 -2.251 5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.665 -3.765 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.972 -3.813 3.272 1.00 0.00 H new ATOM 582 N GLY A 41 -9.366 -2.142 3.272 1.00 0.00 N ATOM 583 CA GLY A 41 -9.824 -3.498 3.033 1.00 0.00 C ATOM 584 C GLY A 41 -10.163 -3.702 1.567 1.00 0.00 C ATOM 585 O GLY A 41 -10.187 -2.748 0.795 1.00 0.00 O ATOM 0 H GLY A 41 -9.583 -1.498 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.052 -4.206 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.702 -3.704 3.646 1.00 0.00 H new ATOM 589 N GLY A 42 -10.437 -4.942 1.173 1.00 0.00 N ATOM 590 CA GLY A 42 -10.797 -5.263 -0.194 1.00 0.00 C ATOM 591 C GLY A 42 -11.346 -6.670 -0.314 1.00 0.00 C ATOM 592 O GLY A 42 -11.193 -7.487 0.595 1.00 0.00 O ATOM 0 H GLY A 42 -10.414 -5.749 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.541 -4.551 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.922 -5.158 -0.835 1.00 0.00 H new ATOM 596 N TYR A 43 -11.961 -6.945 -1.462 1.00 0.00 N ATOM 597 CA TYR A 43 -12.444 -8.254 -1.852 1.00 0.00 C ATOM 598 C TYR A 43 -11.735 -8.610 -3.150 1.00 0.00 C ATOM 599 O TYR A 43 -11.800 -7.864 -4.129 1.00 0.00 O ATOM 600 CB TYR A 43 -13.976 -8.277 -1.929 1.00 0.00 C ATOM 601 CG TYR A 43 -14.658 -7.397 -2.962 1.00 0.00 C ATOM 602 CD1 TYR A 43 -14.957 -7.910 -4.239 1.00 0.00 C ATOM 603 CD2 TYR A 43 -15.074 -6.097 -2.615 1.00 0.00 C ATOM 604 CE1 TYR A 43 -15.668 -7.129 -5.167 1.00 0.00 C ATOM 605 CE2 TYR A 43 -15.788 -5.309 -3.536 1.00 0.00 C ATOM 606 CZ TYR A 43 -16.092 -5.827 -4.818 1.00 0.00 C ATOM 607 OH TYR A 43 -16.776 -5.079 -5.727 1.00 0.00 O ATOM 0 H TYR A 43 -12.140 -6.231 -2.168 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.211 -9.019 -1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -14.284 -9.306 -2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -14.362 -7.999 -0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -14.639 -8.907 -4.506 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -14.844 -5.703 -1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -15.890 -7.524 -6.147 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.103 -4.312 -3.266 1.00 0.00 H new ATOM 0 HH TYR A 43 -16.208 -4.914 -6.508 1.00 0.00 H new ATOM 617 N GLN A 44 -10.984 -9.713 -3.124 1.00 0.00 N ATOM 618 CA GLN A 44 -10.182 -10.162 -4.250 1.00 0.00 C ATOM 619 C GLN A 44 -10.609 -11.576 -4.647 1.00 0.00 C ATOM 620 O GLN A 44 -11.278 -12.261 -3.869 1.00 0.00 O ATOM 621 CB GLN A 44 -8.690 -9.924 -3.934 1.00 0.00 C ATOM 622 CG GLN A 44 -7.963 -11.028 -3.144 1.00 0.00 C ATOM 623 CD GLN A 44 -6.957 -11.770 -4.028 1.00 0.00 C ATOM 624 OE1 GLN A 44 -7.264 -12.119 -5.167 1.00 0.00 O ATOM 625 NE2 GLN A 44 -5.752 -12.017 -3.535 1.00 0.00 N ATOM 0 H GLN A 44 -10.919 -10.322 -2.309 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.353 -9.581 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.162 -9.777 -4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.606 -8.993 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.446 -10.588 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.692 -11.734 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.518 -11.719 -2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.059 -12.505 -4.102 1.00 0.00 H new ATOM 634 N VAL A 45 -10.285 -11.990 -5.873 1.00 0.00 N ATOM 635 CA VAL A 45 -10.779 -13.225 -6.486 1.00 0.00 C ATOM 636 C VAL A 45 -10.191 -14.468 -5.796 1.00 0.00 C ATOM 637 O VAL A 45 -10.855 -15.504 -5.773 1.00 0.00 O ATOM 638 CB VAL A 45 -10.490 -13.178 -8.007 1.00 0.00 C ATOM 639 CG1 VAL A 45 -10.842 -14.483 -8.740 1.00 0.00 C ATOM 640 CG2 VAL A 45 -11.291 -12.045 -8.677 1.00 0.00 C ATOM 0 H VAL A 45 -9.658 -11.464 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.858 -13.303 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.416 -13.013 -8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.614 -14.378 -9.801 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.258 -15.303 -8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.904 -14.694 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.074 -12.029 -9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.357 -12.214 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.009 -11.089 -8.235 1.00 0.00 H new ATOM 699 N VAL A 49 -6.307 -10.152 -8.048 1.00 0.00 N ATOM 700 CA VAL A 49 -7.199 -9.216 -8.748 1.00 0.00 C ATOM 701 C VAL A 49 -8.451 -9.029 -7.890 1.00 0.00 C ATOM 702 O VAL A 49 -8.905 -9.997 -7.277 1.00 0.00 O ATOM 703 CB VAL A 49 -7.549 -9.748 -10.159 1.00 0.00 C ATOM 704 CG1 VAL A 49 -8.281 -8.681 -10.989 1.00 0.00 C ATOM 705 CG2 VAL A 49 -6.304 -10.192 -10.946 1.00 0.00 C ATOM 0 HA VAL A 49 -6.707 -8.253 -8.889 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.194 -10.612 -9.998 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.514 -9.083 -11.975 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.205 -8.399 -10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.644 -7.803 -11.097 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.605 -10.556 -11.928 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.628 -9.346 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.796 -10.989 -10.403 1.00 0.00 H new ATOM 715 N GLY A 50 -9.011 -7.815 -7.824 1.00 0.00 N ATOM 716 CA GLY A 50 -10.111 -7.523 -6.915 1.00 0.00 C ATOM 717 C GLY A 50 -10.559 -6.068 -6.944 1.00 0.00 C ATOM 718 O GLY A 50 -10.238 -5.316 -7.866 1.00 0.00 O ATOM 0 H GLY A 50 -8.715 -7.022 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.959 -8.160 -7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.810 -7.781 -5.900 1.00 0.00 H new ATOM 722 N PHE A 51 -11.285 -5.678 -5.896 1.00 0.00 N ATOM 723 CA PHE A 51 -11.587 -4.295 -5.558 1.00 0.00 C ATOM 724 C PHE A 51 -11.171 -4.059 -4.108 1.00 0.00 C ATOM 725 O PHE A 51 -11.096 -4.998 -3.311 1.00 0.00 O ATOM 726 CB PHE A 51 -13.078 -4.004 -5.757 1.00 0.00 C ATOM 727 CG PHE A 51 -13.531 -3.993 -7.204 1.00 0.00 C ATOM 728 CD1 PHE A 51 -13.875 -5.196 -7.849 1.00 0.00 C ATOM 729 CD2 PHE A 51 -13.612 -2.776 -7.908 1.00 0.00 C ATOM 730 CE1 PHE A 51 -14.288 -5.184 -9.193 1.00 0.00 C ATOM 731 CE2 PHE A 51 -14.028 -2.764 -9.251 1.00 0.00 C ATOM 732 CZ PHE A 51 -14.363 -3.968 -9.895 1.00 0.00 C ATOM 0 H PHE A 51 -11.691 -6.343 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.037 -3.619 -6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -13.656 -4.752 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -13.309 -3.037 -5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -13.822 -6.130 -7.310 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -13.354 -1.850 -7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -14.548 -6.109 -9.686 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -14.090 -1.829 -9.788 1.00 0.00 H new ATOM 0 HZ PHE A 51 -14.678 -3.959 -10.928 1.00 0.00 H new ATOM 742 N GLU A 52 -10.889 -2.803 -3.772 1.00 0.00 N ATOM 743 CA GLU A 52 -10.262 -2.397 -2.524 1.00 0.00 C ATOM 744 C GLU A 52 -10.778 -0.999 -2.153 1.00 0.00 C ATOM 745 O GLU A 52 -11.297 -0.272 -3.002 1.00 0.00 O ATOM 746 CB GLU A 52 -8.736 -2.541 -2.730 1.00 0.00 C ATOM 747 CG GLU A 52 -7.797 -1.894 -1.705 1.00 0.00 C ATOM 748 CD GLU A 52 -6.369 -2.431 -1.883 1.00 0.00 C ATOM 749 OE1 GLU A 52 -5.696 -2.063 -2.877 1.00 0.00 O ATOM 750 OE2 GLU A 52 -5.967 -3.272 -1.046 1.00 0.00 O ATOM 0 H GLU A 52 -11.099 -2.015 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.514 -3.015 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.505 -3.606 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.493 -2.129 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.804 -0.811 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.149 -2.103 -0.695 1.00 0.00 H new ATOM 757 N MET A 53 -10.692 -0.637 -0.873 1.00 0.00 N ATOM 758 CA MET A 53 -11.135 0.628 -0.308 1.00 0.00 C ATOM 759 C MET A 53 -10.196 1.012 0.827 1.00 0.00 C ATOM 760 O MET A 53 -9.636 0.138 1.490 1.00 0.00 O ATOM 761 CB MET A 53 -12.564 0.515 0.249 1.00 0.00 C ATOM 762 CG MET A 53 -13.624 0.271 -0.825 1.00 0.00 C ATOM 763 SD MET A 53 -15.321 0.348 -0.196 1.00 0.00 S ATOM 764 CE MET A 53 -16.220 0.079 -1.745 1.00 0.00 C ATOM 0 H MET A 53 -10.289 -1.255 -0.168 1.00 0.00 H new ATOM 0 HA MET A 53 -11.126 1.383 -1.094 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.599 -0.299 0.973 1.00 0.00 H new ATOM 0 HB3 MET A 53 -12.808 1.431 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 53 -13.505 1.011 -1.617 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.456 -0.708 -1.275 1.00 0.00 H new ATOM 0 HE1 MET A 53 -17.292 0.094 -1.551 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.968 0.868 -2.453 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.941 -0.888 -2.164 1.00 0.00 H new ATOM 774 N GLY A 54 -10.075 2.316 1.077 1.00 0.00 N ATOM 775 CA GLY A 54 -9.278 2.880 2.151 1.00 0.00 C ATOM 776 C GLY A 54 -10.046 3.998 2.840 1.00 0.00 C ATOM 777 O GLY A 54 -10.959 4.594 2.261 1.00 0.00 O ATOM 0 H GLY A 54 -10.546 3.026 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.025 2.104 2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.339 3.265 1.754 1.00 0.00 H new ATOM 781 N TYR A 55 -9.652 4.270 4.080 1.00 0.00 N ATOM 782 CA TYR A 55 -10.246 5.249 4.973 1.00 0.00 C ATOM 783 C TYR A 55 -9.032 5.942 5.587 1.00 0.00 C ATOM 784 O TYR A 55 -8.232 5.282 6.251 1.00 0.00 O ATOM 785 CB TYR A 55 -11.154 4.522 5.988 1.00 0.00 C ATOM 786 CG TYR A 55 -11.991 3.402 5.375 1.00 0.00 C ATOM 787 CD1 TYR A 55 -13.164 3.698 4.654 1.00 0.00 C ATOM 788 CD2 TYR A 55 -11.533 2.069 5.431 1.00 0.00 C ATOM 789 CE1 TYR A 55 -13.860 2.684 3.971 1.00 0.00 C ATOM 790 CE2 TYR A 55 -12.224 1.047 4.756 1.00 0.00 C ATOM 791 CZ TYR A 55 -13.387 1.351 4.014 1.00 0.00 C ATOM 792 OH TYR A 55 -14.033 0.359 3.339 1.00 0.00 O ATOM 0 H TYR A 55 -8.865 3.784 4.509 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.900 5.983 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.535 4.106 6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.821 5.249 6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.533 4.713 4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.644 1.831 5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.754 2.923 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.865 0.029 4.805 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.567 -0.491 3.482 1.00 0.00 H new ATOM 1108 N GLY A 76 -12.769 11.385 4.187 1.00 0.00 N ATOM 1109 CA GLY A 76 -11.395 10.946 3.973 1.00 0.00 C ATOM 1110 C GLY A 76 -11.398 9.470 3.620 1.00 0.00 C ATOM 1111 O GLY A 76 -11.159 8.633 4.487 1.00 0.00 O ATOM 0 HA2 GLY A 76 -10.935 11.524 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.801 11.117 4.871 1.00 0.00 H new ATOM 1115 N VAL A 77 -11.756 9.147 2.375 1.00 0.00 N ATOM 1116 CA VAL A 77 -11.939 7.768 1.929 1.00 0.00 C ATOM 1117 C VAL A 77 -11.458 7.608 0.488 1.00 0.00 C ATOM 1118 O VAL A 77 -11.345 8.587 -0.254 1.00 0.00 O ATOM 1119 CB VAL A 77 -13.416 7.324 2.082 1.00 0.00 C ATOM 1120 CG1 VAL A 77 -13.898 7.370 3.541 1.00 0.00 C ATOM 1121 CG2 VAL A 77 -14.393 8.150 1.227 1.00 0.00 C ATOM 0 H VAL A 77 -11.927 9.840 1.646 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.336 7.118 2.563 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.421 6.294 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.939 7.049 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.284 6.705 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.814 8.388 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -15.409 7.786 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.334 9.199 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.129 8.051 0.174 1.00 0.00 H new ATOM 1131 N GLN A 78 -11.239 6.360 0.073 1.00 0.00 N ATOM 1132 CA GLN A 78 -10.925 5.990 -1.296 1.00 0.00 C ATOM 1133 C GLN A 78 -11.509 4.614 -1.607 1.00 0.00 C ATOM 1134 O GLN A 78 -11.722 3.804 -0.704 1.00 0.00 O ATOM 1135 CB GLN A 78 -9.403 6.058 -1.520 1.00 0.00 C ATOM 1136 CG GLN A 78 -8.585 5.148 -0.590 1.00 0.00 C ATOM 1137 CD GLN A 78 -7.089 5.381 -0.774 1.00 0.00 C ATOM 1138 OE1 GLN A 78 -6.535 5.077 -1.827 1.00 0.00 O ATOM 1139 NE2 GLN A 78 -6.404 5.907 0.225 1.00 0.00 N ATOM 0 H GLN A 78 -11.278 5.559 0.704 1.00 0.00 H new ATOM 0 HA GLN A 78 -11.381 6.695 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.187 5.789 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.073 7.088 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.862 5.339 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.822 4.104 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.878 6.155 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.401 6.066 0.128 1.00 0.00 H new ATOM 1148 N LEU A 79 -11.747 4.348 -2.893 1.00 0.00 N ATOM 1149 CA LEU A 79 -12.248 3.081 -3.411 1.00 0.00 C ATOM 1150 C LEU A 79 -11.575 2.828 -4.751 1.00 0.00 C ATOM 1151 O LEU A 79 -11.307 3.777 -5.486 1.00 0.00 O ATOM 1152 CB LEU A 79 -13.787 3.097 -3.502 1.00 0.00 C ATOM 1153 CG LEU A 79 -14.398 4.107 -4.504 1.00 0.00 C ATOM 1154 CD1 LEU A 79 -14.640 3.486 -5.890 1.00 0.00 C ATOM 1155 CD2 LEU A 79 -15.742 4.623 -3.971 1.00 0.00 C ATOM 0 H LEU A 79 -11.589 5.038 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.004 2.260 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.125 2.097 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.187 3.311 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.678 4.919 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.069 4.236 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.694 3.135 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.329 2.646 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.166 5.333 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.428 3.786 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -15.587 5.117 -3.012 1.00 0.00 H new ATOM 1167 N THR A 80 -11.273 1.569 -5.068 1.00 0.00 N ATOM 1168 CA THR A 80 -10.443 1.245 -6.214 1.00 0.00 C ATOM 1169 C THR A 80 -10.745 -0.152 -6.742 1.00 0.00 C ATOM 1170 O THR A 80 -11.142 -1.052 -5.998 1.00 0.00 O ATOM 1171 CB THR A 80 -8.961 1.420 -5.789 1.00 0.00 C ATOM 1172 OG1 THR A 80 -8.070 1.465 -6.880 1.00 0.00 O ATOM 1173 CG2 THR A 80 -8.443 0.344 -4.833 1.00 0.00 C ATOM 0 H THR A 80 -11.596 0.758 -4.541 1.00 0.00 H new ATOM 0 HA THR A 80 -10.657 1.918 -7.044 1.00 0.00 H new ATOM 0 HB THR A 80 -8.980 2.379 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.068 0.598 -7.337 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.400 0.545 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.037 0.353 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.522 -0.634 -5.308 1.00 0.00 H new ATOM 1181 N ALA A 81 -10.489 -0.328 -8.036 1.00 0.00 N ATOM 1182 CA ALA A 81 -10.266 -1.628 -8.628 1.00 0.00 C ATOM 1183 C ALA A 81 -8.779 -1.914 -8.398 1.00 0.00 C ATOM 1184 O ALA A 81 -7.967 -0.976 -8.293 1.00 0.00 O ATOM 1185 CB ALA A 81 -10.589 -1.586 -10.125 1.00 0.00 C ATOM 0 H ALA A 81 -10.432 0.441 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.899 -2.401 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.418 -2.570 -10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.633 -1.304 -10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.947 -0.855 -10.615 1.00 0.00 H new ATOM 1191 N LYS A 82 -8.443 -3.202 -8.303 1.00 0.00 N ATOM 1192 CA LYS A 82 -7.137 -3.702 -7.911 1.00 0.00 C ATOM 1193 C LYS A 82 -6.747 -4.837 -8.853 1.00 0.00 C ATOM 1194 O LYS A 82 -7.537 -5.738 -9.136 1.00 0.00 O ATOM 1195 CB LYS A 82 -7.202 -4.126 -6.431 1.00 0.00 C ATOM 1196 CG LYS A 82 -5.956 -4.868 -5.926 1.00 0.00 C ATOM 1197 CD LYS A 82 -6.066 -6.396 -6.056 1.00 0.00 C ATOM 1198 CE LYS A 82 -4.846 -7.054 -5.418 1.00 0.00 C ATOM 1199 NZ LYS A 82 -3.633 -7.008 -6.259 1.00 0.00 N ATOM 0 H LYS A 82 -9.105 -3.951 -8.507 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.362 -2.940 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.354 -3.238 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.073 -4.765 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.085 -4.524 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.786 -4.610 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.977 -6.748 -5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.136 -6.677 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.636 -6.563 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.082 -8.094 -5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.802 -6.828 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.516 -7.918 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.726 -6.246 -6.961 1.00 0.00 H new ATOM 1213 N LEU A 83 -5.496 -4.798 -9.296 1.00 0.00 N ATOM 1214 CA LEU A 83 -4.857 -5.687 -10.247 1.00 0.00 C ATOM 1215 C LEU A 83 -3.495 -6.083 -9.664 1.00 0.00 C ATOM 1216 O LEU A 83 -3.034 -5.509 -8.668 1.00 0.00 O ATOM 1217 CB LEU A 83 -4.762 -4.927 -11.588 1.00 0.00 C ATOM 1218 CG LEU A 83 -4.150 -5.678 -12.789 1.00 0.00 C ATOM 1219 CD1 LEU A 83 -4.924 -6.957 -13.131 1.00 0.00 C ATOM 1220 CD2 LEU A 83 -4.137 -4.752 -14.011 1.00 0.00 C ATOM 0 H LEU A 83 -4.851 -4.080 -8.968 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.411 -6.608 -10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.767 -4.609 -11.866 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.176 -4.023 -11.422 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.136 -5.969 -12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.455 -7.450 -13.983 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.914 -7.629 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.954 -6.703 -13.381 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.705 -5.279 -14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.157 -4.451 -14.250 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.540 -3.867 -13.791 1.00 0.00 H new ATOM 1232 N GLY A 84 -2.851 -7.080 -10.265 1.00 0.00 N ATOM 1233 CA GLY A 84 -1.485 -7.450 -9.974 1.00 0.00 C ATOM 1234 C GLY A 84 -0.991 -8.447 -11.013 1.00 0.00 C ATOM 1235 O GLY A 84 -1.722 -8.770 -11.954 1.00 0.00 O ATOM 0 H GLY A 84 -3.282 -7.662 -10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.850 -6.564 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.421 -7.887 -8.977 1.00 0.00 H new ATOM 1239 N TYR A 85 0.238 -8.925 -10.830 1.00 0.00 N ATOM 1240 CA TYR A 85 0.819 -10.047 -11.556 1.00 0.00 C ATOM 1241 C TYR A 85 1.703 -10.815 -10.554 1.00 0.00 C ATOM 1242 O TYR A 85 2.305 -10.177 -9.681 1.00 0.00 O ATOM 1243 CB TYR A 85 1.575 -9.517 -12.787 1.00 0.00 C ATOM 1244 CG TYR A 85 2.142 -10.575 -13.708 1.00 0.00 C ATOM 1245 CD1 TYR A 85 1.349 -11.105 -14.744 1.00 0.00 C ATOM 1246 CD2 TYR A 85 3.452 -11.054 -13.510 1.00 0.00 C ATOM 1247 CE1 TYR A 85 1.857 -12.118 -15.578 1.00 0.00 C ATOM 1248 CE2 TYR A 85 3.965 -12.069 -14.336 1.00 0.00 C ATOM 1249 CZ TYR A 85 3.170 -12.605 -15.374 1.00 0.00 C ATOM 1250 OH TYR A 85 3.673 -13.593 -16.167 1.00 0.00 O ATOM 0 H TYR A 85 0.879 -8.525 -10.145 1.00 0.00 H new ATOM 0 HA TYR A 85 0.072 -10.738 -11.947 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.899 -8.884 -13.362 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.392 -8.882 -12.444 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.347 -10.733 -14.899 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.063 -10.640 -12.722 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.247 -12.523 -16.372 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.967 -12.439 -14.177 1.00 0.00 H new ATOM 0 HH TYR A 85 4.588 -13.804 -15.887 1.00 0.00 H new ATOM 1260 N PRO A 86 1.740 -12.162 -10.613 1.00 0.00 N ATOM 1261 CA PRO A 86 2.212 -12.972 -9.498 1.00 0.00 C ATOM 1262 C PRO A 86 3.734 -12.952 -9.350 1.00 0.00 C ATOM 1263 O PRO A 86 4.442 -12.714 -10.333 1.00 0.00 O ATOM 1264 CB PRO A 86 1.696 -14.389 -9.771 1.00 0.00 C ATOM 1265 CG PRO A 86 1.587 -14.444 -11.290 1.00 0.00 C ATOM 1266 CD PRO A 86 1.193 -13.018 -11.656 1.00 0.00 C ATOM 0 HA PRO A 86 1.839 -12.576 -8.554 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.382 -15.146 -9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.732 -14.564 -9.293 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.531 -14.733 -11.752 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.838 -15.166 -11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.591 -12.743 -12.633 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.109 -12.917 -11.713 1.00 0.00 H new ATOM 1274 N ILE A 87 4.194 -13.262 -8.124 1.00 0.00 N ATOM 1275 CA ILE A 87 5.524 -13.671 -7.661 1.00 0.00 C ATOM 1276 C ILE A 87 6.584 -13.351 -8.716 1.00 0.00 C ATOM 1277 O ILE A 87 7.175 -14.220 -9.361 1.00 0.00 O ATOM 1278 CB ILE A 87 5.540 -15.138 -7.146 1.00 0.00 C ATOM 1279 CG1 ILE A 87 4.464 -15.426 -6.064 1.00 0.00 C ATOM 1280 CG2 ILE A 87 6.903 -15.453 -6.490 1.00 0.00 C ATOM 1281 CD1 ILE A 87 3.086 -15.836 -6.598 1.00 0.00 C ATOM 0 H ILE A 87 3.551 -13.225 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 87 5.789 -13.079 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 87 5.341 -15.753 -8.023 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.832 -16.218 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.345 -14.535 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.905 -16.483 -6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.699 -15.322 -7.223 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.068 -14.777 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.410 -16.014 -5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.687 -15.038 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.181 -16.748 -7.188 1.00 0.00 H new ATOM 1331 N LEU A 91 7.705 -11.527 -4.455 1.00 0.00 N ATOM 1332 CA LEU A 91 6.441 -10.843 -4.196 1.00 0.00 C ATOM 1333 C LEU A 91 5.666 -10.543 -5.481 1.00 0.00 C ATOM 1334 O LEU A 91 6.189 -10.659 -6.591 1.00 0.00 O ATOM 1335 CB LEU A 91 6.713 -9.586 -3.341 1.00 0.00 C ATOM 1336 CG LEU A 91 7.844 -8.635 -3.795 1.00 0.00 C ATOM 1337 CD1 LEU A 91 7.636 -8.041 -5.194 1.00 0.00 C ATOM 1338 CD2 LEU A 91 7.961 -7.497 -2.772 1.00 0.00 C ATOM 0 HA LEU A 91 5.787 -11.505 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.790 -9.009 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.939 -9.914 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 91 8.757 -9.228 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.472 -7.385 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.580 -8.846 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.708 -7.469 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.755 -6.815 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.017 -6.955 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.194 -7.912 -1.791 1.00 0.00 H new ATOM 1350 N ASP A 92 4.398 -10.160 -5.332 1.00 0.00 N ATOM 1351 CA ASP A 92 3.529 -9.813 -6.452 1.00 0.00 C ATOM 1352 C ASP A 92 3.732 -8.333 -6.770 1.00 0.00 C ATOM 1353 O ASP A 92 3.946 -7.521 -5.866 1.00 0.00 O ATOM 1354 CB ASP A 92 2.050 -10.074 -6.098 1.00 0.00 C ATOM 1355 CG ASP A 92 1.603 -11.523 -6.318 1.00 0.00 C ATOM 1356 OD1 ASP A 92 2.441 -12.444 -6.184 1.00 0.00 O ATOM 1357 OD2 ASP A 92 0.417 -11.704 -6.672 1.00 0.00 O ATOM 0 H ASP A 92 3.943 -10.082 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 92 3.781 -10.429 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.885 -9.808 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.422 -9.416 -6.698 1.00 0.00 H new ATOM 1362 N ILE A 93 3.590 -7.966 -8.046 1.00 0.00 N ATOM 1363 CA ILE A 93 3.480 -6.567 -8.457 1.00 0.00 C ATOM 1364 C ILE A 93 1.978 -6.243 -8.456 1.00 0.00 C ATOM 1365 O ILE A 93 1.158 -7.112 -8.757 1.00 0.00 O ATOM 1366 CB ILE A 93 4.217 -6.349 -9.805 1.00 0.00 C ATOM 1367 CG1 ILE A 93 4.317 -4.864 -10.224 1.00 0.00 C ATOM 1368 CG2 ILE A 93 3.610 -7.163 -10.952 1.00 0.00 C ATOM 1369 CD1 ILE A 93 5.520 -4.159 -9.590 1.00 0.00 C ATOM 0 H ILE A 93 3.548 -8.629 -8.820 1.00 0.00 H new ATOM 0 HA ILE A 93 3.973 -5.869 -7.780 1.00 0.00 H new ATOM 0 HB ILE A 93 5.228 -6.711 -9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.392 -4.800 -11.310 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.402 -4.346 -9.936 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.166 -6.970 -11.869 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.663 -8.225 -10.712 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.568 -6.874 -11.092 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.545 -3.119 -9.916 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.433 -4.197 -8.504 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.438 -4.658 -9.899 1.00 0.00 H new ATOM 1381 N TYR A 94 1.611 -5.018 -8.071 1.00 0.00 N ATOM 1382 CA TYR A 94 0.258 -4.612 -7.693 1.00 0.00 C ATOM 1383 C TYR A 94 -0.035 -3.255 -8.325 1.00 0.00 C ATOM 1384 O TYR A 94 0.802 -2.356 -8.272 1.00 0.00 O ATOM 1385 CB TYR A 94 0.188 -4.597 -6.152 1.00 0.00 C ATOM 1386 CG TYR A 94 -0.780 -3.655 -5.441 1.00 0.00 C ATOM 1387 CD1 TYR A 94 -2.164 -3.667 -5.711 1.00 0.00 C ATOM 1388 CD2 TYR A 94 -0.287 -2.822 -4.416 1.00 0.00 C ATOM 1389 CE1 TYR A 94 -3.049 -2.892 -4.932 1.00 0.00 C ATOM 1390 CE2 TYR A 94 -1.162 -2.042 -3.643 1.00 0.00 C ATOM 1391 CZ TYR A 94 -2.552 -2.093 -3.879 1.00 0.00 C ATOM 1392 OH TYR A 94 -3.389 -1.395 -3.063 1.00 0.00 O ATOM 0 H TYR A 94 2.279 -4.250 -8.012 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.505 -5.302 -8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.049 -5.610 -5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.189 -4.371 -5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.549 -4.273 -6.518 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.775 -2.783 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.108 -2.910 -5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.770 -1.402 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.317 -1.550 -3.337 1.00 0.00 H new ATOM 1402 N THR A 95 -1.223 -3.106 -8.914 1.00 0.00 N ATOM 1403 CA THR A 95 -1.658 -1.883 -9.583 1.00 0.00 C ATOM 1404 C THR A 95 -3.111 -1.640 -9.186 1.00 0.00 C ATOM 1405 O THR A 95 -3.859 -2.598 -8.978 1.00 0.00 O ATOM 1406 CB THR A 95 -1.492 -2.034 -11.109 1.00 0.00 C ATOM 1407 OG1 THR A 95 -0.174 -2.435 -11.423 1.00 0.00 O ATOM 1408 CG2 THR A 95 -1.774 -0.730 -11.865 1.00 0.00 C ATOM 0 H THR A 95 -1.922 -3.848 -8.939 1.00 0.00 H new ATOM 0 HA THR A 95 -1.054 -1.026 -9.284 1.00 0.00 H new ATOM 0 HB THR A 95 -2.218 -2.786 -11.419 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.083 -2.528 -12.394 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.642 -0.894 -12.935 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.798 -0.411 -11.670 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.083 0.043 -11.528 1.00 0.00 H new ATOM 1416 N ARG A 96 -3.534 -0.377 -9.075 1.00 0.00 N ATOM 1417 CA ARG A 96 -4.891 -0.055 -8.652 1.00 0.00 C ATOM 1418 C ARG A 96 -5.340 1.282 -9.247 1.00 0.00 C ATOM 1419 O ARG A 96 -4.533 2.205 -9.371 1.00 0.00 O ATOM 1420 CB ARG A 96 -4.950 -0.083 -7.114 1.00 0.00 C ATOM 1421 CG ARG A 96 -3.861 0.759 -6.421 1.00 0.00 C ATOM 1422 CD ARG A 96 -4.262 1.133 -4.995 1.00 0.00 C ATOM 1423 NE ARG A 96 -5.359 2.108 -5.003 1.00 0.00 N ATOM 1424 CZ ARG A 96 -5.651 2.976 -4.029 1.00 0.00 C ATOM 1425 NH1 ARG A 96 -4.939 3.087 -2.911 1.00 0.00 N ATOM 1426 NH2 ARG A 96 -6.704 3.771 -4.175 1.00 0.00 N ATOM 0 H ARG A 96 -2.952 0.437 -9.274 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.594 -0.799 -9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.928 0.275 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.863 -1.116 -6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -2.925 0.200 -6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.679 1.666 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.568 0.239 -4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.403 1.549 -4.468 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.955 2.125 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.124 2.492 -2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.208 3.768 -2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.274 3.713 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.943 4.440 -3.443 1.00 0.00 H new ATOM 1440 N LEU A 97 -6.620 1.381 -9.627 1.00 0.00 N ATOM 1441 CA LEU A 97 -7.227 2.589 -10.197 1.00 0.00 C ATOM 1442 C LEU A 97 -8.647 2.732 -9.651 1.00 0.00 C ATOM 1443 O LEU A 97 -9.353 1.731 -9.517 1.00 0.00 O ATOM 1444 CB LEU A 97 -7.264 2.550 -11.738 1.00 0.00 C ATOM 1445 CG LEU A 97 -5.883 2.648 -12.424 1.00 0.00 C ATOM 1446 CD1 LEU A 97 -5.305 1.267 -12.771 1.00 0.00 C ATOM 1447 CD2 LEU A 97 -5.980 3.469 -13.717 1.00 0.00 C ATOM 0 H LEU A 97 -7.277 0.605 -9.545 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.616 3.444 -9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.745 1.624 -12.052 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.889 3.370 -12.093 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.219 3.136 -11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.334 1.389 -13.251 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.188 0.682 -11.859 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.983 0.749 -13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.998 3.527 -14.186 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.681 2.990 -14.401 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.331 4.474 -13.484 1.00 0.00 H new ATOM 1459 N GLY A 98 -9.071 3.959 -9.333 1.00 0.00 N ATOM 1460 CA GLY A 98 -10.244 4.187 -8.504 1.00 0.00 C ATOM 1461 C GLY A 98 -10.577 5.664 -8.337 1.00 0.00 C ATOM 1462 O GLY A 98 -10.279 6.477 -9.213 1.00 0.00 O ATOM 0 H GLY A 98 -8.609 4.814 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.099 3.675 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.080 3.744 -7.522 1.00 0.00 H new ATOM 1466 N GLY A 99 -11.177 6.005 -7.189 1.00 0.00 N ATOM 1467 CA GLY A 99 -11.395 7.373 -6.744 1.00 0.00 C ATOM 1468 C GLY A 99 -11.009 7.567 -5.278 1.00 0.00 C ATOM 1469 O GLY A 99 -10.924 6.602 -4.515 1.00 0.00 O ATOM 0 H GLY A 99 -11.532 5.311 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.813 8.053 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.444 7.636 -6.880 1.00 0.00 H new ATOM 1473 N MET A 100 -10.809 8.828 -4.885 1.00 0.00 N ATOM 1474 CA MET A 100 -10.533 9.257 -3.519 1.00 0.00 C ATOM 1475 C MET A 100 -11.255 10.574 -3.229 1.00 0.00 C ATOM 1476 O MET A 100 -11.472 11.390 -4.133 1.00 0.00 O ATOM 1477 CB MET A 100 -9.020 9.354 -3.263 1.00 0.00 C ATOM 1478 CG MET A 100 -8.325 10.503 -4.008 1.00 0.00 C ATOM 1479 SD MET A 100 -6.522 10.562 -3.807 1.00 0.00 S ATOM 1480 CE MET A 100 -6.371 10.822 -2.017 1.00 0.00 C ATOM 0 H MET A 100 -10.837 9.608 -5.541 1.00 0.00 H new ATOM 0 HA MET A 100 -10.917 8.507 -2.828 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.852 9.476 -2.193 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.553 8.413 -3.554 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.555 10.420 -5.070 1.00 0.00 H new ATOM 0 HG3 MET A 100 -8.746 11.448 -3.663 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.339 11.073 -1.772 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.025 11.638 -1.711 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.658 9.911 -1.492 1.00 0.00 H new ATOM 1490 N VAL A 101 -11.631 10.775 -1.965 1.00 0.00 N ATOM 1491 CA VAL A 101 -12.546 11.813 -1.515 1.00 0.00 C ATOM 1492 C VAL A 101 -12.019 12.351 -0.184 1.00 0.00 C ATOM 1493 O VAL A 101 -11.806 11.566 0.743 1.00 0.00 O ATOM 1494 CB VAL A 101 -13.962 11.208 -1.352 1.00 0.00 C ATOM 1495 CG1 VAL A 101 -14.974 12.287 -0.952 1.00 0.00 C ATOM 1496 CG2 VAL A 101 -14.471 10.519 -2.631 1.00 0.00 C ATOM 0 H VAL A 101 -11.290 10.193 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.610 12.628 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 101 -13.873 10.456 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -15.961 11.838 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -14.673 12.735 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -15.009 13.057 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -15.468 10.115 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -14.512 11.245 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -13.794 9.709 -2.902 1.00 0.00 H new ATOM 1506 N PHE A 102 -11.845 13.676 -0.070 1.00 0.00 N ATOM 1507 CA PHE A 102 -11.414 14.305 1.180 1.00 0.00 C ATOM 1508 C PHE A 102 -12.197 15.591 1.429 1.00 0.00 C ATOM 1509 O PHE A 102 -12.390 16.398 0.511 1.00 0.00 O ATOM 1510 CB PHE A 102 -9.897 14.571 1.187 1.00 0.00 C ATOM 1511 CG PHE A 102 -9.421 15.148 2.512 1.00 0.00 C ATOM 1512 CD1 PHE A 102 -9.496 14.363 3.676 1.00 0.00 C ATOM 1513 CD2 PHE A 102 -8.976 16.481 2.612 1.00 0.00 C ATOM 1514 CE1 PHE A 102 -9.207 14.916 4.934 1.00 0.00 C ATOM 1515 CE2 PHE A 102 -8.649 17.025 3.869 1.00 0.00 C ATOM 1516 CZ PHE A 102 -8.787 16.252 5.034 1.00 0.00 C ATOM 0 H PHE A 102 -11.998 14.333 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 102 -11.624 13.610 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.366 13.641 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -9.647 15.261 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.779 13.323 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.885 17.087 1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -9.308 14.314 5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.290 18.041 3.938 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.571 16.683 6.001 1.00 0.00 H new ATOM 1526 N ARG A 103 -12.654 15.792 2.671 1.00 0.00 N ATOM 1527 CA ARG A 103 -13.273 17.033 3.126 1.00 0.00 C ATOM 1528 C ARG A 103 -12.867 17.305 4.566 1.00 0.00 C ATOM 1529 O ARG A 103 -12.675 16.368 5.337 1.00 0.00 O ATOM 1530 CB ARG A 103 -14.805 16.949 2.972 1.00 0.00 C ATOM 1531 CG ARG A 103 -15.415 18.244 2.393 1.00 0.00 C ATOM 1532 CD ARG A 103 -16.724 18.035 1.606 1.00 0.00 C ATOM 1533 NE ARG A 103 -16.640 16.924 0.638 1.00 0.00 N ATOM 1534 CZ ARG A 103 -15.770 16.765 -0.369 1.00 0.00 C ATOM 1535 NH1 ARG A 103 -15.059 17.774 -0.863 1.00 0.00 N ATOM 1536 NH2 ARG A 103 -15.595 15.541 -0.848 1.00 0.00 N ATOM 0 H ARG A 103 -12.601 15.079 3.399 1.00 0.00 H new ATOM 0 HA ARG A 103 -12.926 17.865 2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -15.056 16.111 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -15.254 16.743 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.604 18.939 3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.682 18.715 1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -17.536 17.840 2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -16.974 18.954 1.076 1.00 0.00 H new ATOM 0 HE ARG A 103 -17.332 16.183 0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -15.165 18.711 -0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.407 17.611 -1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.115 14.759 -0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.941 15.382 -1.614 1.00 0.00 H new ATOM 1779 N SER A 120 -12.594 12.837 -6.331 1.00 0.00 N ATOM 1780 CA SER A 120 -11.486 12.775 -7.281 1.00 0.00 C ATOM 1781 C SER A 120 -11.236 11.343 -7.760 1.00 0.00 C ATOM 1782 O SER A 120 -11.590 10.405 -7.046 1.00 0.00 O ATOM 1783 CB SER A 120 -10.217 13.351 -6.609 1.00 0.00 C ATOM 1784 OG SER A 120 -10.290 13.429 -5.190 1.00 0.00 O ATOM 0 HA SER A 120 -11.742 13.368 -8.159 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.362 12.733 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.030 14.348 -7.007 1.00 0.00 H new ATOM 0 HG SER A 120 -11.067 12.922 -4.874 1.00 0.00 H new ATOM 1790 N PRO A 121 -10.587 11.149 -8.925 1.00 0.00 N ATOM 1791 CA PRO A 121 -10.018 9.863 -9.307 1.00 0.00 C ATOM 1792 C PRO A 121 -8.768 9.570 -8.459 1.00 0.00 C ATOM 1793 O PRO A 121 -8.218 10.468 -7.820 1.00 0.00 O ATOM 1794 CB PRO A 121 -9.667 10.015 -10.790 1.00 0.00 C ATOM 1795 CG PRO A 121 -9.290 11.491 -10.902 1.00 0.00 C ATOM 1796 CD PRO A 121 -10.234 12.168 -9.906 1.00 0.00 C ATOM 0 HA PRO A 121 -10.703 9.031 -9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -8.842 9.364 -11.079 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.511 9.764 -11.433 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.244 11.660 -10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.435 11.868 -11.914 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.750 13.019 -9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -11.123 12.549 -10.409 1.00 0.00 H new ATOM 1804 N VAL A 122 -8.279 8.327 -8.494 1.00 0.00 N ATOM 1805 CA VAL A 122 -6.957 7.969 -7.996 1.00 0.00 C ATOM 1806 C VAL A 122 -6.408 6.825 -8.856 1.00 0.00 C ATOM 1807 O VAL A 122 -7.170 6.029 -9.409 1.00 0.00 O ATOM 1808 CB VAL A 122 -7.026 7.645 -6.481 1.00 0.00 C ATOM 1809 CG1 VAL A 122 -7.638 6.278 -6.155 1.00 0.00 C ATOM 1810 CG2 VAL A 122 -5.650 7.738 -5.808 1.00 0.00 C ATOM 0 H VAL A 122 -8.799 7.536 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 122 -6.260 8.802 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 122 -7.692 8.410 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -7.648 6.132 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -8.658 6.236 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -7.044 5.493 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.747 7.503 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.967 7.029 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.257 8.748 -5.921 1.00 0.00 H new ATOM 1820 N PHE A 123 -5.083 6.724 -8.943 1.00 0.00 N ATOM 1821 CA PHE A 123 -4.358 5.601 -9.517 1.00 0.00 C ATOM 1822 C PHE A 123 -3.099 5.407 -8.677 1.00 0.00 C ATOM 1823 O PHE A 123 -2.605 6.382 -8.101 1.00 0.00 O ATOM 1824 CB PHE A 123 -4.004 5.885 -10.987 1.00 0.00 C ATOM 1825 CG PHE A 123 -2.980 6.993 -11.194 1.00 0.00 C ATOM 1826 CD1 PHE A 123 -3.374 8.345 -11.161 1.00 0.00 C ATOM 1827 CD2 PHE A 123 -1.620 6.672 -11.386 1.00 0.00 C ATOM 1828 CE1 PHE A 123 -2.417 9.366 -11.308 1.00 0.00 C ATOM 1829 CE2 PHE A 123 -0.665 7.693 -11.541 1.00 0.00 C ATOM 1830 CZ PHE A 123 -1.063 9.040 -11.499 1.00 0.00 C ATOM 0 H PHE A 123 -4.462 7.457 -8.599 1.00 0.00 H new ATOM 0 HA PHE A 123 -4.966 4.696 -9.506 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -3.623 4.969 -11.438 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -4.917 6.148 -11.522 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -4.415 8.599 -11.022 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -1.311 5.638 -11.414 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -2.723 10.401 -11.274 1.00 0.00 H new ATOM 0 HE2 PHE A 123 0.374 7.442 -11.692 1.00 0.00 H new ATOM 0 HZ PHE A 123 -0.329 9.824 -11.613 1.00 0.00 H new ATOM 1840 N ALA A 124 -2.574 4.182 -8.611 1.00 0.00 N ATOM 1841 CA ALA A 124 -1.281 3.902 -8.004 1.00 0.00 C ATOM 1842 C ALA A 124 -0.789 2.516 -8.432 1.00 0.00 C ATOM 1843 O ALA A 124 -1.561 1.708 -8.962 1.00 0.00 O ATOM 1844 CB ALA A 124 -1.411 3.972 -6.477 1.00 0.00 C ATOM 0 H ALA A 124 -3.041 3.354 -8.981 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.555 4.644 -8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.444 3.763 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.742 4.969 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.139 3.234 -6.140 1.00 0.00 H new ATOM 1850 N GLY A 125 0.480 2.215 -8.147 1.00 0.00 N ATOM 1851 CA GLY A 125 1.022 0.869 -8.284 1.00 0.00 C ATOM 1852 C GLY A 125 2.235 0.665 -7.386 1.00 0.00 C ATOM 1853 O GLY A 125 2.803 1.630 -6.881 1.00 0.00 O ATOM 0 H GLY A 125 1.158 2.901 -7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 125 0.254 0.138 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 125 1.302 0.692 -9.322 1.00 0.00 H new ATOM 1857 N GLY A 126 2.622 -0.591 -7.178 1.00 0.00 N ATOM 1858 CA GLY A 126 3.667 -1.015 -6.264 1.00 0.00 C ATOM 1859 C GLY A 126 3.639 -2.536 -6.155 1.00 0.00 C ATOM 1860 O GLY A 126 3.588 -3.208 -7.185 1.00 0.00 O ATOM 0 H GLY A 126 2.191 -1.375 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.640 -0.680 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.516 -0.564 -5.283 1.00 0.00 H new ATOM 1864 N VAL A 127 3.695 -3.089 -4.939 1.00 0.00 N ATOM 1865 CA VAL A 127 3.858 -4.529 -4.718 1.00 0.00 C ATOM 1866 C VAL A 127 2.926 -5.040 -3.612 1.00 0.00 C ATOM 1867 O VAL A 127 2.401 -4.263 -2.807 1.00 0.00 O ATOM 1868 CB VAL A 127 5.340 -4.892 -4.450 1.00 0.00 C ATOM 1869 CG1 VAL A 127 6.223 -4.702 -5.691 1.00 0.00 C ATOM 1870 CG2 VAL A 127 5.951 -4.110 -3.283 1.00 0.00 C ATOM 0 H VAL A 127 3.628 -2.548 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 127 3.565 -5.041 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 127 5.319 -5.949 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 127 7.252 -4.970 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 127 5.861 -5.341 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 127 6.184 -3.660 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.990 -4.411 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.907 -3.042 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.391 -4.320 -2.372 1.00 0.00 H new ATOM 1880 N GLU A 128 2.728 -6.360 -3.588 1.00 0.00 N ATOM 1881 CA GLU A 128 1.830 -7.077 -2.695 1.00 0.00 C ATOM 1882 C GLU A 128 2.506 -8.371 -2.241 1.00 0.00 C ATOM 1883 O GLU A 128 3.255 -8.988 -3.000 1.00 0.00 O ATOM 1884 CB GLU A 128 0.510 -7.322 -3.440 1.00 0.00 C ATOM 1885 CG GLU A 128 -0.495 -8.204 -2.676 1.00 0.00 C ATOM 1886 CD GLU A 128 -1.909 -8.151 -3.265 1.00 0.00 C ATOM 1887 OE1 GLU A 128 -2.230 -7.206 -4.023 1.00 0.00 O ATOM 1888 OE2 GLU A 128 -2.777 -8.950 -2.853 1.00 0.00 O ATOM 0 H GLU A 128 3.218 -6.986 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 128 1.606 -6.502 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.043 -6.361 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.730 -7.790 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.143 -9.236 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -0.530 -7.886 -1.634 1.00 0.00 H new ATOM 1895 N TYR A 129 2.264 -8.773 -0.990 1.00 0.00 N ATOM 1896 CA TYR A 129 2.947 -9.899 -0.370 1.00 0.00 C ATOM 1897 C TYR A 129 2.079 -10.533 0.716 1.00 0.00 C ATOM 1898 O TYR A 129 1.126 -9.919 1.200 1.00 0.00 O ATOM 1899 CB TYR A 129 4.267 -9.376 0.224 1.00 0.00 C ATOM 1900 CG TYR A 129 5.309 -10.420 0.576 1.00 0.00 C ATOM 1901 CD1 TYR A 129 5.694 -11.373 -0.387 1.00 0.00 C ATOM 1902 CD2 TYR A 129 5.986 -10.360 1.811 1.00 0.00 C ATOM 1903 CE1 TYR A 129 6.790 -12.215 -0.147 1.00 0.00 C ATOM 1904 CE2 TYR A 129 7.088 -11.203 2.055 1.00 0.00 C ATOM 1905 CZ TYR A 129 7.518 -12.107 1.057 1.00 0.00 C ATOM 1906 OH TYR A 129 8.667 -12.822 1.219 1.00 0.00 O ATOM 0 H TYR A 129 1.584 -8.320 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 129 3.146 -10.672 -1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.709 -8.679 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 129 4.035 -8.808 1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.144 -11.456 -1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.659 -9.666 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 129 7.078 -12.948 -0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 129 7.603 -11.159 3.003 1.00 0.00 H new ATOM 0 HH TYR A 129 9.047 -12.634 2.103 1.00 0.00 H new ATOM 1916 N ALA A 130 2.449 -11.746 1.133 1.00 0.00 N ATOM 1917 CA ALA A 130 2.041 -12.365 2.382 1.00 0.00 C ATOM 1918 C ALA A 130 3.289 -13.011 2.985 1.00 0.00 C ATOM 1919 O ALA A 130 4.091 -13.578 2.246 1.00 0.00 O ATOM 1920 CB ALA A 130 0.946 -13.404 2.118 1.00 0.00 C ATOM 0 H ALA A 130 3.066 -12.343 0.582 1.00 0.00 H new ATOM 0 HA ALA A 130 1.626 -11.633 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 130 0.646 -13.863 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.085 -12.917 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 130 1.328 -14.172 1.445 1.00 0.00 H new ATOM 1926 N ILE A 131 3.425 -12.967 4.314 1.00 0.00 N ATOM 1927 CA ILE A 131 4.521 -13.610 5.054 1.00 0.00 C ATOM 1928 C ILE A 131 3.996 -14.767 5.929 1.00 0.00 C ATOM 1929 O ILE A 131 4.748 -15.485 6.585 1.00 0.00 O ATOM 1930 CB ILE A 131 5.331 -12.522 5.804 1.00 0.00 C ATOM 1931 CG1 ILE A 131 6.664 -13.006 6.417 1.00 0.00 C ATOM 1932 CG2 ILE A 131 4.499 -11.839 6.906 1.00 0.00 C ATOM 1933 CD1 ILE A 131 7.621 -13.647 5.404 1.00 0.00 C ATOM 0 H ILE A 131 2.766 -12.476 4.918 1.00 0.00 H new ATOM 0 HA ILE A 131 5.221 -14.094 4.373 1.00 0.00 H new ATOM 0 HB ILE A 131 5.581 -11.808 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 131 7.164 -12.160 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 131 6.449 -13.728 7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 131 5.106 -11.084 7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.624 -11.365 6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 131 4.177 -12.584 7.633 1.00 0.00 H new ATOM 0 HD11 ILE A 131 8.533 -13.960 5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 131 7.142 -14.515 4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 131 7.869 -12.922 4.628 1.00 0.00 H new ATOM 1945 N THR A 132 2.680 -14.974 5.942 1.00 0.00 N ATOM 1946 CA THR A 132 1.946 -16.110 6.483 1.00 0.00 C ATOM 1947 C THR A 132 0.581 -15.995 5.789 1.00 0.00 C ATOM 1948 O THR A 132 0.099 -14.870 5.654 1.00 0.00 O ATOM 1949 CB THR A 132 1.882 -15.974 8.016 1.00 0.00 C ATOM 1950 OG1 THR A 132 3.175 -16.194 8.541 1.00 0.00 O ATOM 1951 CG2 THR A 132 0.932 -16.955 8.709 1.00 0.00 C ATOM 0 H THR A 132 2.046 -14.286 5.536 1.00 0.00 H new ATOM 0 HA THR A 132 2.389 -17.090 6.304 1.00 0.00 H new ATOM 0 HB THR A 132 1.501 -14.971 8.210 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.811 -16.315 7.805 1.00 0.00 H new ATOM 0 HG21 THR A 132 0.954 -16.784 9.785 1.00 0.00 H new ATOM 0 HG22 THR A 132 -0.082 -16.803 8.338 1.00 0.00 H new ATOM 0 HG23 THR A 132 1.247 -17.977 8.498 1.00 0.00 H new ATOM 1959 N PRO A 133 -0.037 -17.084 5.294 1.00 0.00 N ATOM 1960 CA PRO A 133 -1.112 -16.981 4.306 1.00 0.00 C ATOM 1961 C PRO A 133 -2.361 -16.261 4.821 1.00 0.00 C ATOM 1962 O PRO A 133 -3.100 -15.695 4.019 1.00 0.00 O ATOM 1963 CB PRO A 133 -1.420 -18.418 3.867 1.00 0.00 C ATOM 1964 CG PRO A 133 -0.879 -19.276 5.010 1.00 0.00 C ATOM 1965 CD PRO A 133 0.330 -18.476 5.493 1.00 0.00 C ATOM 0 HA PRO A 133 -0.787 -16.362 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.490 -18.571 3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.934 -18.660 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.618 -19.409 5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -0.595 -20.271 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 133 0.546 -18.681 6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 133 1.225 -18.733 4.927 1.00 0.00 H new ATOM 1973 N GLU A 134 -2.575 -16.242 6.141 1.00 0.00 N ATOM 1974 CA GLU A 134 -3.725 -15.598 6.765 1.00 0.00 C ATOM 1975 C GLU A 134 -3.555 -14.080 6.943 1.00 0.00 C ATOM 1976 O GLU A 134 -4.498 -13.410 7.372 1.00 0.00 O ATOM 1977 CB GLU A 134 -4.072 -16.331 8.073 1.00 0.00 C ATOM 1978 CG GLU A 134 -5.190 -17.364 7.855 1.00 0.00 C ATOM 1979 CD GLU A 134 -4.882 -18.420 6.783 1.00 0.00 C ATOM 1980 OE1 GLU A 134 -5.057 -18.117 5.579 1.00 0.00 O ATOM 1981 OE2 GLU A 134 -4.597 -19.578 7.167 1.00 0.00 O ATOM 0 H GLU A 134 -1.943 -16.681 6.811 1.00 0.00 H new ATOM 0 HA GLU A 134 -4.574 -15.685 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.183 -16.830 8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.384 -15.607 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -5.388 -17.871 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -6.104 -16.838 7.577 1.00 0.00 H new ATOM 1988 N ILE A 135 -2.401 -13.514 6.567 1.00 0.00 N ATOM 1989 CA ILE A 135 -2.170 -12.073 6.548 1.00 0.00 C ATOM 1990 C ILE A 135 -1.648 -11.650 5.173 1.00 0.00 C ATOM 1991 O ILE A 135 -1.195 -12.482 4.389 1.00 0.00 O ATOM 1992 CB ILE A 135 -1.247 -11.632 7.711 1.00 0.00 C ATOM 1993 CG1 ILE A 135 0.099 -12.391 7.711 1.00 0.00 C ATOM 1994 CG2 ILE A 135 -1.988 -11.792 9.052 1.00 0.00 C ATOM 1995 CD1 ILE A 135 1.132 -11.818 8.687 1.00 0.00 C ATOM 0 H ILE A 135 -1.592 -14.057 6.264 1.00 0.00 H new ATOM 0 HA ILE A 135 -3.115 -11.556 6.711 1.00 0.00 H new ATOM 0 HB ILE A 135 -1.001 -10.580 7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.084 -13.436 7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.515 -12.373 6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -1.335 -11.481 9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -2.885 -11.173 9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -2.269 -12.836 9.190 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.050 -12.403 8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 135 1.345 -10.782 8.424 1.00 0.00 H new ATOM 0 HD13 ILE A 135 0.737 -11.861 9.702 1.00 0.00 H new ATOM 2007 N ALA A 136 -1.709 -10.350 4.876 1.00 0.00 N ATOM 2008 CA ALA A 136 -1.279 -9.788 3.607 1.00 0.00 C ATOM 2009 C ALA A 136 -0.572 -8.462 3.862 1.00 0.00 C ATOM 2010 O ALA A 136 -0.583 -7.924 4.974 1.00 0.00 O ATOM 2011 CB ALA A 136 -2.493 -9.617 2.684 1.00 0.00 C ATOM 0 H ALA A 136 -2.066 -9.651 5.527 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.576 -10.458 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.170 -9.195 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.959 -10.587 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -3.214 -8.947 3.152 1.00 0.00 H new ATOM 2017 N THR A 137 0.075 -7.927 2.833 1.00 0.00 N ATOM 2018 CA THR A 137 0.765 -6.651 2.852 1.00 0.00 C ATOM 2019 C THR A 137 0.684 -6.075 1.441 1.00 0.00 C ATOM 2020 O THR A 137 0.826 -6.812 0.464 1.00 0.00 O ATOM 2021 CB THR A 137 2.207 -6.882 3.335 1.00 0.00 C ATOM 2022 OG1 THR A 137 2.161 -7.418 4.645 1.00 0.00 O ATOM 2023 CG2 THR A 137 3.065 -5.613 3.368 1.00 0.00 C ATOM 0 H THR A 137 0.133 -8.393 1.927 1.00 0.00 H new ATOM 0 HA THR A 137 0.315 -5.933 3.538 1.00 0.00 H new ATOM 0 HB THR A 137 2.671 -7.561 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 137 3.073 -7.573 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.067 -5.860 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.126 -5.189 2.366 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.613 -4.886 4.043 1.00 0.00 H new ATOM 2031 N ARG A 138 0.439 -4.768 1.335 1.00 0.00 N ATOM 2032 CA ARG A 138 0.365 -4.033 0.077 1.00 0.00 C ATOM 2033 C ARG A 138 1.091 -2.713 0.272 1.00 0.00 C ATOM 2034 O ARG A 138 1.035 -2.133 1.359 1.00 0.00 O ATOM 2035 CB ARG A 138 -1.104 -3.781 -0.321 1.00 0.00 C ATOM 2036 CG ARG A 138 -1.726 -4.986 -1.040 1.00 0.00 C ATOM 2037 CD ARG A 138 -3.193 -4.740 -1.418 1.00 0.00 C ATOM 2038 NE ARG A 138 -3.746 -5.918 -2.106 1.00 0.00 N ATOM 2039 CZ ARG A 138 -4.908 -6.528 -1.846 1.00 0.00 C ATOM 2040 NH1 ARG A 138 -5.890 -5.907 -1.199 1.00 0.00 N ATOM 2041 NH2 ARG A 138 -5.082 -7.785 -2.245 1.00 0.00 N ATOM 0 H ARG A 138 0.282 -4.175 2.150 1.00 0.00 H new ATOM 0 HA ARG A 138 0.828 -4.610 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -1.686 -3.553 0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -1.158 -2.906 -0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -1.152 -5.206 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -1.660 -5.864 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -3.776 -4.526 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -3.268 -3.865 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 138 -3.184 -6.311 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -5.767 -4.943 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -6.766 -6.394 -1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -4.335 -8.270 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -5.962 -8.263 -2.054 1.00 0.00 H new ATOM 2055 N LEU A 139 1.745 -2.228 -0.782 1.00 0.00 N ATOM 2056 CA LEU A 139 2.248 -0.870 -0.838 1.00 0.00 C ATOM 2057 C LEU A 139 2.175 -0.373 -2.271 1.00 0.00 C ATOM 2058 O LEU A 139 2.473 -1.123 -3.202 1.00 0.00 O ATOM 2059 CB LEU A 139 3.672 -0.736 -0.262 1.00 0.00 C ATOM 2060 CG LEU A 139 4.761 -1.694 -0.792 1.00 0.00 C ATOM 2061 CD1 LEU A 139 6.140 -1.047 -0.599 1.00 0.00 C ATOM 2062 CD2 LEU A 139 4.751 -3.049 -0.060 1.00 0.00 C ATOM 0 H LEU A 139 1.938 -2.774 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 139 1.618 -0.246 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.010 0.285 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 139 3.609 -0.867 0.818 1.00 0.00 H new ATOM 0 HG LEU A 139 4.553 -1.875 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 139 6.913 -1.719 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 139 6.181 -0.107 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 139 6.307 -0.855 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 139 5.534 -3.688 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 139 4.930 -2.889 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 139 3.782 -3.529 -0.197 1.00 0.00 H new ATOM 2074 N GLU A 140 1.793 0.891 -2.434 1.00 0.00 N ATOM 2075 CA GLU A 140 1.606 1.544 -3.716 1.00 0.00 C ATOM 2076 C GLU A 140 2.210 2.950 -3.703 1.00 0.00 C ATOM 2077 O GLU A 140 2.412 3.539 -2.641 1.00 0.00 O ATOM 2078 CB GLU A 140 0.113 1.557 -4.097 1.00 0.00 C ATOM 2079 CG GLU A 140 -0.785 2.523 -3.295 1.00 0.00 C ATOM 2080 CD GLU A 140 -1.459 1.904 -2.068 1.00 0.00 C ATOM 2081 OE1 GLU A 140 -0.735 1.512 -1.126 1.00 0.00 O ATOM 2082 OE2 GLU A 140 -2.714 1.891 -2.078 1.00 0.00 O ATOM 0 H GLU A 140 1.599 1.507 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 140 2.135 0.977 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.031 1.810 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.280 0.547 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -0.183 3.372 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.557 2.914 -3.958 1.00 0.00 H new ATOM 2089 N TYR A 141 2.453 3.492 -4.899 1.00 0.00 N ATOM 2090 CA TYR A 141 3.054 4.786 -5.173 1.00 0.00 C ATOM 2091 C TYR A 141 2.266 5.475 -6.292 1.00 0.00 C ATOM 2092 O TYR A 141 1.711 4.805 -7.171 1.00 0.00 O ATOM 2093 CB TYR A 141 4.511 4.600 -5.633 1.00 0.00 C ATOM 2094 CG TYR A 141 5.441 3.888 -4.665 1.00 0.00 C ATOM 2095 CD1 TYR A 141 5.433 2.481 -4.577 1.00 0.00 C ATOM 2096 CD2 TYR A 141 6.353 4.629 -3.889 1.00 0.00 C ATOM 2097 CE1 TYR A 141 6.302 1.814 -3.696 1.00 0.00 C ATOM 2098 CE2 TYR A 141 7.240 3.969 -3.020 1.00 0.00 C ATOM 2099 CZ TYR A 141 7.212 2.560 -2.911 1.00 0.00 C ATOM 2100 OH TYR A 141 8.074 1.934 -2.061 1.00 0.00 O ATOM 0 H TYR A 141 2.215 2.997 -5.759 1.00 0.00 H new ATOM 0 HA TYR A 141 3.034 5.392 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 141 4.505 4.045 -6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 141 4.929 5.583 -5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 141 4.753 1.910 -5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 141 6.371 5.706 -3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 141 6.275 0.737 -3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.945 4.540 -2.434 1.00 0.00 H new ATOM 0 HH TYR A 141 8.626 2.602 -1.604 1.00 0.00 H new ATOM 2110 N GLN A 142 2.285 6.810 -6.285 1.00 0.00 N ATOM 2111 CA GLN A 142 1.755 7.708 -7.301 1.00 0.00 C ATOM 2112 C GLN A 142 2.729 8.888 -7.422 1.00 0.00 C ATOM 2113 O GLN A 142 3.317 9.300 -6.422 1.00 0.00 O ATOM 2114 CB GLN A 142 0.363 8.188 -6.854 1.00 0.00 C ATOM 2115 CG GLN A 142 -0.361 9.057 -7.896 1.00 0.00 C ATOM 2116 CD GLN A 142 -1.615 9.697 -7.311 1.00 0.00 C ATOM 2117 OE1 GLN A 142 -1.655 10.892 -7.051 1.00 0.00 O ATOM 2118 NE2 GLN A 142 -2.656 8.914 -7.075 1.00 0.00 N ATOM 0 H GLN A 142 2.703 7.324 -5.510 1.00 0.00 H new ATOM 0 HA GLN A 142 1.655 7.215 -8.268 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -0.255 7.319 -6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 142 0.465 8.756 -5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 142 0.313 9.835 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -0.630 8.446 -8.758 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -2.607 7.920 -7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -3.507 9.305 -6.671 1.00 0.00 H new ATOM 2127 N PHE A 143 2.852 9.463 -8.623 1.00 0.00 N ATOM 2128 CA PHE A 143 3.597 10.687 -8.905 1.00 0.00 C ATOM 2129 C PHE A 143 2.759 11.527 -9.874 1.00 0.00 C ATOM 2130 O PHE A 143 1.866 10.977 -10.529 1.00 0.00 O ATOM 2131 CB PHE A 143 4.974 10.344 -9.495 1.00 0.00 C ATOM 2132 CG PHE A 143 5.862 9.531 -8.568 1.00 0.00 C ATOM 2133 CD1 PHE A 143 5.818 8.122 -8.591 1.00 0.00 C ATOM 2134 CD2 PHE A 143 6.722 10.182 -7.664 1.00 0.00 C ATOM 2135 CE1 PHE A 143 6.616 7.373 -7.708 1.00 0.00 C ATOM 2136 CE2 PHE A 143 7.524 9.434 -6.785 1.00 0.00 C ATOM 2137 CZ PHE A 143 7.469 8.029 -6.803 1.00 0.00 C ATOM 0 H PHE A 143 2.416 9.069 -9.457 1.00 0.00 H new ATOM 0 HA PHE A 143 3.776 11.256 -7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.832 9.790 -10.423 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.488 11.270 -9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.169 7.616 -9.290 1.00 0.00 H new ATOM 0 HD2 PHE A 143 6.766 11.261 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 143 6.574 6.294 -7.725 1.00 0.00 H new ATOM 0 HE2 PHE A 143 8.183 9.939 -6.095 1.00 0.00 H new ATOM 0 HZ PHE A 143 8.081 7.455 -6.123 1.00 0.00 H new ATOM 2372 N GLY A 160 5.134 13.211 -5.394 1.00 0.00 N ATOM 2373 CA GLY A 160 4.384 11.971 -5.330 1.00 0.00 C ATOM 2374 C GLY A 160 3.863 11.657 -3.936 1.00 0.00 C ATOM 2375 O GLY A 160 4.025 12.432 -2.986 1.00 0.00 O ATOM 0 HA2 GLY A 160 3.543 12.027 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 160 5.019 11.152 -5.666 1.00 0.00 H new ATOM 2379 N MET A 161 3.200 10.507 -3.839 1.00 0.00 N ATOM 2380 CA MET A 161 2.579 9.975 -2.639 1.00 0.00 C ATOM 2381 C MET A 161 2.737 8.456 -2.673 1.00 0.00 C ATOM 2382 O MET A 161 2.798 7.863 -3.751 1.00 0.00 O ATOM 2383 CB MET A 161 1.102 10.408 -2.621 1.00 0.00 C ATOM 2384 CG MET A 161 0.309 9.891 -1.412 1.00 0.00 C ATOM 2385 SD MET A 161 -1.364 10.579 -1.261 1.00 0.00 S ATOM 2386 CE MET A 161 -0.980 12.284 -0.775 1.00 0.00 C ATOM 0 H MET A 161 3.078 9.891 -4.643 1.00 0.00 H new ATOM 0 HA MET A 161 3.045 10.352 -1.729 1.00 0.00 H new ATOM 0 HB2 MET A 161 1.054 11.497 -2.634 1.00 0.00 H new ATOM 0 HB3 MET A 161 0.621 10.057 -3.534 1.00 0.00 H new ATOM 0 HG2 MET A 161 0.237 8.805 -1.477 1.00 0.00 H new ATOM 0 HG3 MET A 161 0.866 10.120 -0.503 1.00 0.00 H new ATOM 0 HE1 MET A 161 -1.883 12.769 -0.404 1.00 0.00 H new ATOM 0 HE2 MET A 161 -0.223 12.277 0.009 1.00 0.00 H new ATOM 0 HE3 MET A 161 -0.603 12.832 -1.638 1.00 0.00 H new ATOM 2396 N LEU A 162 2.787 7.826 -1.500 1.00 0.00 N ATOM 2397 CA LEU A 162 2.810 6.379 -1.351 1.00 0.00 C ATOM 2398 C LEU A 162 1.931 5.961 -0.180 1.00 0.00 C ATOM 2399 O LEU A 162 1.598 6.773 0.690 1.00 0.00 O ATOM 2400 CB LEU A 162 4.259 5.857 -1.249 1.00 0.00 C ATOM 2401 CG LEU A 162 5.018 6.209 0.047 1.00 0.00 C ATOM 2402 CD1 LEU A 162 4.721 5.250 1.216 1.00 0.00 C ATOM 2403 CD2 LEU A 162 6.531 6.177 -0.207 1.00 0.00 C ATOM 0 H LEU A 162 2.813 8.322 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 162 2.389 5.914 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 162 4.241 4.772 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 162 4.825 6.248 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 162 4.674 7.204 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 162 5.289 5.559 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 162 3.656 5.276 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 162 5.008 4.236 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.060 6.427 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 162 6.824 5.180 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.786 6.902 -0.980 1.00 0.00 H new ATOM 2415 N SER A 163 1.568 4.681 -0.146 1.00 0.00 N ATOM 2416 CA SER A 163 0.999 4.034 1.023 1.00 0.00 C ATOM 2417 C SER A 163 1.588 2.632 1.175 1.00 0.00 C ATOM 2418 O SER A 163 2.124 2.070 0.221 1.00 0.00 O ATOM 2419 CB SER A 163 -0.530 4.066 0.932 1.00 0.00 C ATOM 2420 OG SER A 163 -0.993 5.361 1.294 1.00 0.00 O ATOM 0 H SER A 163 1.665 4.057 -0.947 1.00 0.00 H new ATOM 0 HA SER A 163 1.262 4.571 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 163 -0.851 3.822 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 163 -0.961 3.314 1.593 1.00 0.00 H new ATOM 0 HG SER A 163 -0.254 6.002 1.231 1.00 0.00 H new ATOM 2426 N LEU A 164 1.565 2.122 2.410 1.00 0.00 N ATOM 2427 CA LEU A 164 2.169 0.868 2.847 1.00 0.00 C ATOM 2428 C LEU A 164 1.325 0.332 3.996 1.00 0.00 C ATOM 2429 O LEU A 164 1.210 1.010 5.018 1.00 0.00 O ATOM 2430 CB LEU A 164 3.623 1.141 3.292 1.00 0.00 C ATOM 2431 CG LEU A 164 4.280 0.047 4.165 1.00 0.00 C ATOM 2432 CD1 LEU A 164 4.413 -1.303 3.451 1.00 0.00 C ATOM 2433 CD2 LEU A 164 5.674 0.516 4.601 1.00 0.00 C ATOM 0 H LEU A 164 1.095 2.606 3.175 1.00 0.00 H new ATOM 0 HA LEU A 164 2.198 0.130 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 164 4.234 1.283 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 164 3.643 2.080 3.845 1.00 0.00 H new ATOM 0 HG LEU A 164 3.624 -0.105 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 164 4.882 -2.024 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 164 3.424 -1.662 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 164 5.028 -1.184 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.140 -0.253 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 164 6.289 0.698 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.584 1.437 5.177 1.00 0.00 H new ATOM 2445 N GLY A 165 0.738 -0.860 3.854 1.00 0.00 N ATOM 2446 CA GLY A 165 -0.114 -1.426 4.886 1.00 0.00 C ATOM 2447 C GLY A 165 -0.165 -2.944 4.890 1.00 0.00 C ATOM 2448 O GLY A 165 0.320 -3.610 3.976 1.00 0.00 O ATOM 0 H GLY A 165 0.842 -1.449 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 165 0.237 -1.083 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -1.125 -1.040 4.758 1.00 0.00 H new ATOM 2452 N VAL A 166 -0.794 -3.468 5.943 1.00 0.00 N ATOM 2453 CA VAL A 166 -0.913 -4.887 6.259 1.00 0.00 C ATOM 2454 C VAL A 166 -2.388 -5.240 6.448 1.00 0.00 C ATOM 2455 O VAL A 166 -3.224 -4.354 6.676 1.00 0.00 O ATOM 2456 CB VAL A 166 -0.061 -5.237 7.500 1.00 0.00 C ATOM 2457 CG1 VAL A 166 1.431 -4.959 7.258 1.00 0.00 C ATOM 2458 CG2 VAL A 166 -0.504 -4.486 8.769 1.00 0.00 C ATOM 0 H VAL A 166 -1.259 -2.879 6.634 1.00 0.00 H new ATOM 0 HA VAL A 166 -0.527 -5.486 5.434 1.00 0.00 H new ATOM 0 HB VAL A 166 -0.218 -6.303 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 166 1.999 -5.217 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 166 1.782 -5.560 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 166 1.572 -3.902 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 166 0.133 -4.776 9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -0.420 -3.412 8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -1.539 -4.738 8.998 1.00 0.00 H new ATOM 2468 N SER A 167 -2.742 -6.526 6.346 1.00 0.00 N ATOM 2469 CA SER A 167 -4.116 -6.967 6.549 1.00 0.00 C ATOM 2470 C SER A 167 -4.173 -8.404 7.042 1.00 0.00 C ATOM 2471 O SER A 167 -3.212 -9.150 6.879 1.00 0.00 O ATOM 2472 CB SER A 167 -4.885 -6.807 5.232 1.00 0.00 C ATOM 2473 OG SER A 167 -5.085 -5.434 4.968 1.00 0.00 O ATOM 0 H SER A 167 -2.090 -7.278 6.123 1.00 0.00 H new ATOM 0 HA SER A 167 -4.578 -6.351 7.320 1.00 0.00 H new ATOM 0 HB2 SER A 167 -4.329 -7.268 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 167 -5.845 -7.320 5.294 1.00 0.00 H new ATOM 0 HG SER A 167 -4.397 -5.117 4.346 1.00 0.00 H new ATOM 2479 N TYR A 168 -5.323 -8.776 7.606 1.00 0.00 N ATOM 2480 CA TYR A 168 -5.772 -10.145 7.814 1.00 0.00 C ATOM 2481 C TYR A 168 -6.717 -10.498 6.657 1.00 0.00 C ATOM 2482 O TYR A 168 -7.368 -9.603 6.107 1.00 0.00 O ATOM 2483 CB TYR A 168 -6.475 -10.224 9.183 1.00 0.00 C ATOM 2484 CG TYR A 168 -7.369 -11.437 9.363 1.00 0.00 C ATOM 2485 CD1 TYR A 168 -6.808 -12.726 9.434 1.00 0.00 C ATOM 2486 CD2 TYR A 168 -8.769 -11.279 9.380 1.00 0.00 C ATOM 2487 CE1 TYR A 168 -7.639 -13.860 9.437 1.00 0.00 C ATOM 2488 CE2 TYR A 168 -9.605 -12.406 9.418 1.00 0.00 C ATOM 2489 CZ TYR A 168 -9.044 -13.702 9.400 1.00 0.00 C ATOM 2490 OH TYR A 168 -9.861 -14.784 9.284 1.00 0.00 O ATOM 0 H TYR A 168 -5.998 -8.091 7.946 1.00 0.00 H new ATOM 0 HA TYR A 168 -4.947 -10.857 7.823 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -5.717 -10.228 9.967 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -7.073 -9.324 9.322 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -5.736 -12.844 9.486 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -9.200 -10.289 9.364 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -7.206 -14.849 9.467 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -10.677 -12.282 9.461 1.00 0.00 H new ATOM 0 HH TYR A 168 -10.786 -14.516 9.465 1.00 0.00 H new ATOM 2500 N ARG A 169 -6.811 -11.788 6.301 1.00 0.00 N ATOM 2501 CA ARG A 169 -7.689 -12.288 5.239 1.00 0.00 C ATOM 2502 C ARG A 169 -8.753 -13.220 5.819 1.00 0.00 C ATOM 2503 O ARG A 169 -8.430 -14.289 6.334 1.00 0.00 O ATOM 2504 CB ARG A 169 -6.872 -12.920 4.097 1.00 0.00 C ATOM 2505 CG ARG A 169 -5.973 -14.101 4.496 1.00 0.00 C ATOM 2506 CD ARG A 169 -6.310 -15.433 3.814 1.00 0.00 C ATOM 2507 NE ARG A 169 -7.598 -15.981 4.267 1.00 0.00 N ATOM 2508 CZ ARG A 169 -7.988 -17.256 4.175 1.00 0.00 C ATOM 2509 NH1 ARG A 169 -7.119 -18.231 3.934 1.00 0.00 N ATOM 2510 NH2 ARG A 169 -9.267 -17.572 4.356 1.00 0.00 N ATOM 0 H ARG A 169 -6.268 -12.524 6.753 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.224 -11.450 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -7.563 -13.258 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -6.247 -12.146 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -4.939 -13.844 4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -6.036 -14.237 5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -6.339 -15.289 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -5.519 -16.154 4.019 1.00 0.00 H new ATOM 0 HE ARG A 169 -8.255 -15.326 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -6.129 -18.014 3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -7.441 -19.197 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -9.948 -16.842 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -9.567 -18.544 4.286 1.00 0.00 H new ATOM 2524 N PHE A 170 -10.023 -12.829 5.715 1.00 0.00 N ATOM 2525 CA PHE A 170 -11.149 -13.499 6.355 1.00 0.00 C ATOM 2526 C PHE A 170 -11.277 -14.979 5.958 1.00 0.00 C ATOM 2527 O PHE A 170 -10.851 -15.396 4.875 1.00 0.00 O ATOM 2528 CB PHE A 170 -12.431 -12.715 6.033 1.00 0.00 C ATOM 2529 CG PHE A 170 -13.680 -13.271 6.691 1.00 0.00 C ATOM 2530 CD1 PHE A 170 -13.807 -13.250 8.094 1.00 0.00 C ATOM 2531 CD2 PHE A 170 -14.690 -13.868 5.909 1.00 0.00 C ATOM 2532 CE1 PHE A 170 -14.930 -13.826 8.709 1.00 0.00 C ATOM 2533 CE2 PHE A 170 -15.816 -14.439 6.527 1.00 0.00 C ATOM 2534 CZ PHE A 170 -15.936 -14.420 7.928 1.00 0.00 C ATOM 0 H PHE A 170 -10.302 -12.015 5.168 1.00 0.00 H new ATOM 0 HA PHE A 170 -10.977 -13.507 7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -12.299 -11.679 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -12.576 -12.705 4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -13.039 -12.790 8.698 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -14.598 -13.887 4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -15.021 -13.813 9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -16.590 -14.893 5.925 1.00 0.00 H new ATOM 0 HZ PHE A 170 -16.800 -14.861 8.403 1.00 0.00 H new