USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 783 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 69 CYS SG : rot 120:sc= 0.788! USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 50:sc= -1.36 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -1.52 K(o=-2.9,f=-6.6!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -2.88 F(o=-4.2!,f=-2.9) USER MOD Single : A 13 MET CE :methyl -168:sc= -2.28! (180deg=-2.57!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00307 X(o=-0.0031,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.68! X(o=-1.7!,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 75:sc= -1.43 USER MOD Single : A 36 SER OG : rot 180:sc= -0.292 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.05 K(o=-1.1,f=-4!) USER MOD Single : A 49 SER OG : rot -160:sc= 0.558 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.456) USER MOD Single : A 58 SER OG : rot -31:sc= 1.87 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -173:sc= -0.789 (180deg=-1.04) USER MOD Single : A 75 THR OG1 : rot 161:sc= 1.09 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 9:sc= 1.23 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.743 F(o=-1.4,f=-0.74) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -90:sc= -1.15! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc=-0.000727 X(o=-0.00073,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.498 USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 0.212 7.475 -8.364 1.00 0.00 N ATOM 67 CA TRP A 8 -0.646 6.613 -7.570 1.00 0.00 C ATOM 68 C TRP A 8 -0.890 7.297 -6.224 1.00 0.00 C ATOM 69 O TRP A 8 -1.745 6.869 -5.452 1.00 0.00 O ATOM 70 CB TRP A 8 -0.038 5.216 -7.429 1.00 0.00 C ATOM 71 CG TRP A 8 1.432 5.132 -7.843 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.967 4.426 -8.849 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.542 5.809 -7.216 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.335 4.599 -8.916 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.695 5.467 -7.892 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.570 6.683 -6.115 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.961 5.952 -7.542 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.843 7.159 -5.778 1.00 0.00 C ATOM 79 CH2 TRP A 8 5.014 6.824 -6.448 1.00 0.00 C ATOM 0 HA TRP A 8 -1.607 6.465 -8.063 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.132 4.893 -6.392 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.616 4.517 -8.034 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.399 3.801 -9.522 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.966 4.169 -9.593 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.680 6.965 -5.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.849 5.669 -8.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.921 7.834 -4.938 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.960 7.234 -6.126 1.00 0.00 H new ATOM 90 N TYR A 9 -0.123 8.351 -5.985 1.00 0.00 N ATOM 91 CA TYR A 9 -0.245 9.099 -4.745 1.00 0.00 C ATOM 92 C TYR A 9 -1.590 9.826 -4.674 1.00 0.00 C ATOM 93 O TYR A 9 -1.763 10.881 -5.282 1.00 0.00 O ATOM 94 CB TYR A 9 0.881 10.136 -4.766 1.00 0.00 C ATOM 95 CG TYR A 9 0.995 10.956 -3.479 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.576 10.402 -2.357 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.517 12.250 -3.442 1.00 0.00 C ATOM 98 CE1 TYR A 9 1.683 11.174 -1.146 1.00 0.00 C ATOM 99 CE2 TYR A 9 0.624 13.022 -2.231 1.00 0.00 C ATOM 100 CZ TYR A 9 1.202 12.446 -1.143 1.00 0.00 C ATOM 101 OH TYR A 9 1.303 13.175 0.001 1.00 0.00 O ATOM 0 H TYR A 9 0.585 8.705 -6.629 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.183 8.431 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.828 9.626 -4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.721 10.814 -5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.951 9.389 -2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.063 12.684 -4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.135 10.752 -0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.254 14.036 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 9 0.919 14.065 -0.143 1.00 0.00 H new ATOM 111 N HIS A 10 -2.507 9.232 -3.925 1.00 0.00 N ATOM 112 CA HIS A 10 -3.831 9.809 -3.766 1.00 0.00 C ATOM 113 C HIS A 10 -3.754 11.021 -2.835 1.00 0.00 C ATOM 114 O HIS A 10 -4.603 11.909 -2.895 1.00 0.00 O ATOM 115 CB HIS A 10 -4.830 8.754 -3.285 1.00 0.00 C ATOM 116 CG HIS A 10 -5.011 7.600 -4.241 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.017 7.564 -5.191 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.306 6.441 -4.383 1.00 0.00 C ATOM 119 CE1 HIS A 10 -5.912 6.431 -5.869 1.00 0.00 C ATOM 120 NE2 HIS A 10 -4.852 5.736 -5.366 1.00 0.00 N ATOM 0 H HIS A 10 -2.359 8.357 -3.422 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.198 10.158 -4.731 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.498 8.366 -2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.796 9.231 -3.120 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.720 8.287 -5.343 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.449 6.147 -3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.553 6.113 -6.678 1.00 0.00 H new ATOM 128 N GLY A 11 -2.729 11.018 -1.996 1.00 0.00 N ATOM 129 CA GLY A 11 -2.530 12.106 -1.053 1.00 0.00 C ATOM 130 C GLY A 11 -2.867 11.665 0.372 1.00 0.00 C ATOM 131 O GLY A 11 -2.502 10.566 0.789 1.00 0.00 O ATOM 0 H GLY A 11 -2.027 10.279 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.495 12.446 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.156 12.953 -1.333 1.00 0.00 H new ATOM 135 N HIS A 12 -3.559 12.544 1.082 1.00 0.00 N ATOM 136 CA HIS A 12 -3.949 12.259 2.452 1.00 0.00 C ATOM 137 C HIS A 12 -5.209 11.391 2.457 1.00 0.00 C ATOM 138 O HIS A 12 -6.311 11.889 2.235 1.00 0.00 O ATOM 139 CB HIS A 12 -4.118 13.554 3.250 1.00 0.00 C ATOM 140 CG HIS A 12 -2.998 13.824 4.226 1.00 0.00 C ATOM 141 ND1 HIS A 12 -2.486 13.056 5.230 1.00 0.00 N flip ATOM 142 CD2 HIS A 12 -2.275 15.004 4.229 1.00 0.00 C flip ATOM 143 CE1 HIS A 12 -1.503 13.730 5.814 1.00 0.00 C flip ATOM 144 NE2 HIS A 12 -1.371 14.938 5.195 1.00 0.00 N flip ATOM 0 H HIS A 12 -3.860 13.454 0.734 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.159 11.695 2.949 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.190 14.390 2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.060 13.512 3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.423 15.837 3.558 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.906 13.380 6.643 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.695 15.663 5.434 1.00 0.00 H new ATOM 152 N MET A 13 -5.003 10.107 2.714 1.00 0.00 N ATOM 153 CA MET A 13 -6.109 9.165 2.751 1.00 0.00 C ATOM 154 C MET A 13 -6.191 8.469 4.111 1.00 0.00 C ATOM 155 O MET A 13 -5.166 8.167 4.721 1.00 0.00 O ATOM 156 CB MET A 13 -5.924 8.118 1.651 1.00 0.00 C ATOM 157 CG MET A 13 -7.185 7.267 1.487 1.00 0.00 C ATOM 158 SD MET A 13 -6.890 5.959 0.309 1.00 0.00 S ATOM 159 CE MET A 13 -7.326 6.800 -1.203 1.00 0.00 C ATOM 0 H MET A 13 -4.087 9.697 2.898 1.00 0.00 H new ATOM 0 HA MET A 13 -7.036 9.715 2.589 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.690 8.613 0.709 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.077 7.476 1.893 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.475 6.843 2.448 1.00 0.00 H new ATOM 0 HG3 MET A 13 -8.013 7.891 1.151 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.405 6.075 -2.013 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.283 7.307 -1.075 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.557 7.533 -1.446 1.00 0.00 H new ATOM 169 N SER A 14 -7.420 8.234 4.547 1.00 0.00 N ATOM 170 CA SER A 14 -7.649 7.579 5.823 1.00 0.00 C ATOM 171 C SER A 14 -7.558 6.061 5.656 1.00 0.00 C ATOM 172 O SER A 14 -8.133 5.500 4.724 1.00 0.00 O ATOM 173 CB SER A 14 -9.008 7.969 6.406 1.00 0.00 C ATOM 174 OG SER A 14 -9.008 7.934 7.831 1.00 0.00 O ATOM 0 H SER A 14 -8.268 8.486 4.039 1.00 0.00 H new ATOM 0 HA SER A 14 -6.878 7.908 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.273 8.971 6.068 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.773 7.292 6.027 1.00 0.00 H new ATOM 0 HG SER A 14 -9.893 8.191 8.165 1.00 0.00 H new ATOM 180 N GLY A 15 -6.832 5.439 6.574 1.00 0.00 N ATOM 181 CA GLY A 15 -6.659 3.997 6.540 1.00 0.00 C ATOM 182 C GLY A 15 -7.977 3.294 6.204 1.00 0.00 C ATOM 183 O GLY A 15 -8.067 2.581 5.206 1.00 0.00 O ATOM 0 H GLY A 15 -6.357 5.908 7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.904 3.735 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.293 3.648 7.505 1.00 0.00 H new ATOM 187 N GLY A 16 -8.965 3.521 7.057 1.00 0.00 N ATOM 188 CA GLY A 16 -10.273 2.918 6.864 1.00 0.00 C ATOM 189 C GLY A 16 -10.785 3.164 5.443 1.00 0.00 C ATOM 190 O GLY A 16 -11.492 2.328 4.881 1.00 0.00 O ATOM 0 H GLY A 16 -8.886 4.114 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.215 1.846 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.978 3.331 7.585 1.00 0.00 H new ATOM 194 N GLN A 17 -10.408 4.313 4.903 1.00 0.00 N ATOM 195 CA GLN A 17 -10.821 4.679 3.558 1.00 0.00 C ATOM 196 C GLN A 17 -10.137 3.777 2.530 1.00 0.00 C ATOM 197 O GLN A 17 -10.802 3.028 1.815 1.00 0.00 O ATOM 198 CB GLN A 17 -10.526 6.154 3.277 1.00 0.00 C ATOM 199 CG GLN A 17 -11.771 6.872 2.753 1.00 0.00 C ATOM 200 CD GLN A 17 -11.696 8.374 3.032 1.00 0.00 C ATOM 201 OE1 GLN A 17 -11.919 8.838 4.138 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.371 9.106 1.970 1.00 0.00 N ATOM 0 H GLN A 17 -9.821 5.003 5.372 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.899 4.536 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.179 6.639 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.721 6.235 2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.869 6.702 1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.661 6.455 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.197 8.654 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.296 10.120 2.053 1.00 0.00 H new ATOM 211 N ALA A 18 -8.816 3.878 2.487 1.00 0.00 N ATOM 212 CA ALA A 18 -8.035 3.080 1.557 1.00 0.00 C ATOM 213 C ALA A 18 -8.639 1.677 1.462 1.00 0.00 C ATOM 214 O ALA A 18 -8.856 1.164 0.365 1.00 0.00 O ATOM 215 CB ALA A 18 -6.573 3.055 2.008 1.00 0.00 C ATOM 0 H ALA A 18 -8.267 4.500 3.081 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.062 3.519 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.987 2.456 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.182 4.072 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.507 2.619 3.005 1.00 0.00 H new ATOM 221 N GLU A 19 -8.894 1.098 2.626 1.00 0.00 N ATOM 222 CA GLU A 19 -9.469 -0.235 2.687 1.00 0.00 C ATOM 223 C GLU A 19 -10.756 -0.297 1.862 1.00 0.00 C ATOM 224 O GLU A 19 -10.935 -1.205 1.052 1.00 0.00 O ATOM 225 CB GLU A 19 -9.727 -0.655 4.136 1.00 0.00 C ATOM 226 CG GLU A 19 -8.578 -1.513 4.671 1.00 0.00 C ATOM 227 CD GLU A 19 -9.110 -2.767 5.368 1.00 0.00 C ATOM 228 OE1 GLU A 19 -9.496 -3.703 4.635 1.00 0.00 O ATOM 229 OE2 GLU A 19 -9.117 -2.761 6.618 1.00 0.00 O ATOM 0 H GLU A 19 -8.713 1.527 3.534 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.753 -0.938 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.845 0.231 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.661 -1.214 4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.921 -1.800 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.979 -0.930 5.371 1.00 0.00 H new ATOM 236 N THR A 20 -11.619 0.681 2.095 1.00 0.00 N ATOM 237 CA THR A 20 -12.884 0.750 1.383 1.00 0.00 C ATOM 238 C THR A 20 -12.649 1.092 -0.089 1.00 0.00 C ATOM 239 O THR A 20 -13.312 0.547 -0.970 1.00 0.00 O ATOM 240 CB THR A 20 -13.779 1.758 2.106 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.434 0.985 3.108 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.920 2.267 1.222 1.00 0.00 C ATOM 0 H THR A 20 -11.467 1.433 2.767 1.00 0.00 H new ATOM 0 HA THR A 20 -13.391 -0.215 1.383 1.00 0.00 H new ATOM 0 HB THR A 20 -13.177 2.602 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.034 1.562 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.525 2.979 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.507 2.757 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.542 1.428 0.912 1.00 0.00 H new ATOM 250 N LEU A 21 -11.702 1.992 -0.311 1.00 0.00 N ATOM 251 CA LEU A 21 -11.372 2.413 -1.662 1.00 0.00 C ATOM 252 C LEU A 21 -10.896 1.202 -2.467 1.00 0.00 C ATOM 253 O LEU A 21 -11.467 0.882 -3.509 1.00 0.00 O ATOM 254 CB LEU A 21 -10.366 3.566 -1.633 1.00 0.00 C ATOM 255 CG LEU A 21 -10.929 4.938 -1.257 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.568 5.304 0.184 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.473 6.008 -2.252 1.00 0.00 C ATOM 0 H LEU A 21 -11.153 2.441 0.422 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.256 2.804 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.575 3.314 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.903 3.643 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.016 4.888 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.981 6.284 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.982 4.559 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.484 5.330 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.887 6.974 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.384 6.065 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.823 5.748 -3.251 1.00 0.00 H new ATOM 269 N LEU A 22 -9.856 0.562 -1.954 1.00 0.00 N ATOM 270 CA LEU A 22 -9.298 -0.607 -2.612 1.00 0.00 C ATOM 271 C LEU A 22 -10.409 -1.630 -2.854 1.00 0.00 C ATOM 272 O LEU A 22 -10.447 -2.273 -3.902 1.00 0.00 O ATOM 273 CB LEU A 22 -8.117 -1.160 -1.811 1.00 0.00 C ATOM 274 CG LEU A 22 -6.801 -0.388 -1.937 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.811 -0.813 -0.851 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.211 -0.536 -3.341 1.00 0.00 C ATOM 0 H LEU A 22 -9.385 0.831 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.894 -0.338 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.399 -1.189 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.943 -2.190 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.010 0.671 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.884 -0.250 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.240 -0.614 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.602 -1.878 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.277 0.022 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.019 -1.589 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.916 -0.146 -4.075 1.00 0.00 H new ATOM 288 N GLN A 23 -11.286 -1.749 -1.868 1.00 0.00 N ATOM 289 CA GLN A 23 -12.395 -2.683 -1.961 1.00 0.00 C ATOM 290 C GLN A 23 -13.403 -2.207 -3.009 1.00 0.00 C ATOM 291 O GLN A 23 -13.903 -3.004 -3.801 1.00 0.00 O ATOM 292 CB GLN A 23 -13.067 -2.873 -0.600 1.00 0.00 C ATOM 293 CG GLN A 23 -12.207 -3.741 0.320 1.00 0.00 C ATOM 294 CD GLN A 23 -12.826 -3.841 1.716 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.663 -3.046 2.110 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.369 -4.860 2.438 1.00 0.00 N ATOM 0 H GLN A 23 -11.251 -1.214 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.004 -3.651 -2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.236 -1.902 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.044 -3.337 -0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.103 -4.738 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.205 -3.319 0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.667 -5.488 2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.720 -5.013 3.383 1.00 0.00 H new ATOM 305 N ALA A 24 -13.671 -0.910 -2.980 1.00 0.00 N ATOM 306 CA ALA A 24 -14.610 -0.319 -3.918 1.00 0.00 C ATOM 307 C ALA A 24 -14.232 -0.732 -5.342 1.00 0.00 C ATOM 308 O ALA A 24 -15.104 -0.942 -6.183 1.00 0.00 O ATOM 309 CB ALA A 24 -14.625 1.201 -3.737 1.00 0.00 C ATOM 0 H ALA A 24 -13.254 -0.252 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.620 -0.681 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.329 1.644 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.929 1.443 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.628 1.599 -3.923 1.00 0.00 H new ATOM 315 N LYS A 25 -12.930 -0.837 -5.567 1.00 0.00 N ATOM 316 CA LYS A 25 -12.426 -1.222 -6.874 1.00 0.00 C ATOM 317 C LYS A 25 -12.588 -2.733 -7.054 1.00 0.00 C ATOM 318 O LYS A 25 -13.314 -3.181 -7.941 1.00 0.00 O ATOM 319 CB LYS A 25 -10.988 -0.732 -7.059 1.00 0.00 C ATOM 320 CG LYS A 25 -10.772 -0.191 -8.474 1.00 0.00 C ATOM 321 CD LYS A 25 -11.354 1.217 -8.618 1.00 0.00 C ATOM 322 CE LYS A 25 -10.309 2.188 -9.171 1.00 0.00 C ATOM 323 NZ LYS A 25 -10.968 3.344 -9.818 1.00 0.00 N ATOM 0 H LYS A 25 -12.210 -0.662 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.006 -0.742 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.769 0.048 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.294 -1.550 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.706 -0.173 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.241 -0.858 -9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.219 1.191 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.706 1.570 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.663 2.535 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.672 1.675 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.245 3.993 -10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.566 3.010 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.557 3.843 -9.121 1.00 0.00 H new ATOM 337 N GLY A 26 -11.902 -3.476 -6.199 1.00 0.00 N ATOM 338 CA GLY A 26 -11.961 -4.927 -6.253 1.00 0.00 C ATOM 339 C GLY A 26 -10.760 -5.497 -7.011 1.00 0.00 C ATOM 340 O GLY A 26 -10.483 -6.692 -6.932 1.00 0.00 O ATOM 0 H GLY A 26 -11.302 -3.101 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.982 -5.332 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.885 -5.239 -6.740 1.00 0.00 H new ATOM 344 N GLU A 27 -10.080 -4.614 -7.728 1.00 0.00 N ATOM 345 CA GLU A 27 -8.916 -5.014 -8.500 1.00 0.00 C ATOM 346 C GLU A 27 -7.892 -5.703 -7.596 1.00 0.00 C ATOM 347 O GLU A 27 -7.393 -5.102 -6.646 1.00 0.00 O ATOM 348 CB GLU A 27 -8.295 -3.814 -9.217 1.00 0.00 C ATOM 349 CG GLU A 27 -8.989 -3.557 -10.556 1.00 0.00 C ATOM 350 CD GLU A 27 -10.511 -3.571 -10.396 1.00 0.00 C ATOM 351 OE1 GLU A 27 -11.034 -4.648 -10.037 1.00 0.00 O ATOM 352 OE2 GLU A 27 -11.117 -2.504 -10.638 1.00 0.00 O ATOM 0 H GLU A 27 -10.313 -3.623 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.236 -5.725 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.374 -2.928 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.233 -3.994 -9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.671 -2.594 -10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.688 -4.317 -11.277 1.00 0.00 H new ATOM 359 N PRO A 28 -7.600 -6.988 -7.933 1.00 0.00 N ATOM 360 CA PRO A 28 -6.644 -7.765 -7.163 1.00 0.00 C ATOM 361 C PRO A 28 -5.210 -7.324 -7.464 1.00 0.00 C ATOM 362 O PRO A 28 -4.834 -7.172 -8.625 1.00 0.00 O ATOM 363 CB PRO A 28 -6.913 -9.211 -7.546 1.00 0.00 C ATOM 364 CG PRO A 28 -7.687 -9.159 -8.853 1.00 0.00 C ATOM 365 CD PRO A 28 -8.170 -7.732 -9.052 1.00 0.00 C ATOM 0 HA PRO A 28 -6.756 -7.624 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.981 -9.763 -7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.488 -9.720 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.053 -9.467 -9.685 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.532 -9.847 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.833 -7.330 -10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.259 -7.679 -9.049 1.00 0.00 H new ATOM 373 N TRP A 29 -4.448 -7.131 -6.397 1.00 0.00 N ATOM 374 CA TRP A 29 -3.064 -6.710 -6.533 1.00 0.00 C ATOM 375 C TRP A 29 -3.055 -5.226 -6.904 1.00 0.00 C ATOM 376 O TRP A 29 -2.337 -4.815 -7.815 1.00 0.00 O ATOM 377 CB TRP A 29 -2.322 -7.584 -7.545 1.00 0.00 C ATOM 378 CG TRP A 29 -2.445 -9.086 -7.280 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.830 -10.046 -8.131 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.163 -9.765 -6.038 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.818 -11.289 -7.532 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.400 -11.113 -6.218 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.724 -9.258 -4.802 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.225 -12.064 -5.206 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.553 -10.221 -3.801 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.787 -11.581 -3.967 1.00 0.00 C ATOM 0 H TRP A 29 -4.763 -7.258 -5.435 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.528 -6.836 -5.592 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.703 -7.369 -8.543 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.267 -7.310 -7.541 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.114 -9.869 -9.158 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.070 -12.174 -7.972 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.534 -8.208 -4.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.417 -13.114 -5.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.216 -9.884 -2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.632 -12.262 -3.144 1.00 0.00 H new ATOM 397 N THR A 30 -3.860 -4.462 -6.180 1.00 0.00 N ATOM 398 CA THR A 30 -3.954 -3.033 -6.423 1.00 0.00 C ATOM 399 C THR A 30 -3.348 -2.253 -5.254 1.00 0.00 C ATOM 400 O THR A 30 -3.843 -2.328 -4.130 1.00 0.00 O ATOM 401 CB THR A 30 -5.423 -2.693 -6.684 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.845 -3.677 -7.624 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.593 -1.368 -7.430 1.00 0.00 C ATOM 0 H THR A 30 -4.453 -4.806 -5.425 1.00 0.00 H new ATOM 0 HA THR A 30 -3.378 -2.742 -7.301 1.00 0.00 H new ATOM 0 HB THR A 30 -5.959 -2.648 -5.736 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.972 -4.534 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.654 -1.174 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.161 -0.560 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.085 -1.425 -8.393 1.00 0.00 H new ATOM 411 N PHE A 31 -2.286 -1.522 -5.559 1.00 0.00 N ATOM 412 CA PHE A 31 -1.608 -0.729 -4.548 1.00 0.00 C ATOM 413 C PHE A 31 -1.896 0.761 -4.735 1.00 0.00 C ATOM 414 O PHE A 31 -2.399 1.173 -5.779 1.00 0.00 O ATOM 415 CB PHE A 31 -0.107 -0.973 -4.721 1.00 0.00 C ATOM 416 CG PHE A 31 0.546 -0.096 -5.791 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.372 -0.387 -7.108 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.300 0.976 -5.426 1.00 0.00 C ATOM 419 CE1 PHE A 31 0.978 0.427 -8.101 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.906 1.789 -6.419 1.00 0.00 C ATOM 421 CZ PHE A 31 1.732 1.498 -7.736 1.00 0.00 C ATOM 0 H PHE A 31 -1.878 -1.462 -6.492 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.955 -1.016 -3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.392 -0.797 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.053 -2.020 -4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.227 -1.237 -7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.437 1.208 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.840 0.195 -9.147 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.506 2.639 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.192 2.117 -8.492 1.00 0.00 H new ATOM 431 N LEU A 32 -1.564 1.530 -3.708 1.00 0.00 N ATOM 432 CA LEU A 32 -1.781 2.966 -3.747 1.00 0.00 C ATOM 433 C LEU A 32 -0.950 3.632 -2.648 1.00 0.00 C ATOM 434 O LEU A 32 -0.782 3.072 -1.566 1.00 0.00 O ATOM 435 CB LEU A 32 -3.275 3.284 -3.667 1.00 0.00 C ATOM 436 CG LEU A 32 -3.866 3.383 -2.258 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.373 4.643 -1.544 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.393 3.307 -2.298 1.00 0.00 C ATOM 0 H LEU A 32 -1.146 1.185 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.442 3.378 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.453 4.228 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.820 2.515 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.516 2.528 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.808 4.689 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.286 4.615 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.673 5.524 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.788 3.380 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.783 4.129 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.699 2.358 -2.739 1.00 0.00 H new ATOM 450 N VAL A 33 -0.454 4.819 -2.964 1.00 0.00 N ATOM 451 CA VAL A 33 0.355 5.568 -2.018 1.00 0.00 C ATOM 452 C VAL A 33 -0.496 6.671 -1.387 1.00 0.00 C ATOM 453 O VAL A 33 -1.138 7.446 -2.094 1.00 0.00 O ATOM 454 CB VAL A 33 1.610 6.104 -2.711 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.645 6.571 -1.685 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.206 5.056 -3.653 1.00 0.00 C ATOM 0 H VAL A 33 -0.597 5.281 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 33 0.697 4.920 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 33 1.319 6.967 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.527 6.947 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.218 7.365 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.929 5.734 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.097 5.462 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.474 4.166 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.472 4.792 -4.415 1.00 0.00 H new ATOM 466 N ARG A 34 -0.474 6.707 -0.062 1.00 0.00 N ATOM 467 CA ARG A 34 -1.236 7.703 0.672 1.00 0.00 C ATOM 468 C ARG A 34 -0.487 8.115 1.941 1.00 0.00 C ATOM 469 O ARG A 34 0.221 7.306 2.538 1.00 0.00 O ATOM 470 CB ARG A 34 -2.617 7.167 1.055 1.00 0.00 C ATOM 471 CG ARG A 34 -2.498 5.902 1.906 1.00 0.00 C ATOM 472 CD ARG A 34 -3.530 5.902 3.036 1.00 0.00 C ATOM 473 NE ARG A 34 -3.189 4.861 4.032 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.564 4.901 5.318 1.00 0.00 C ATOM 475 NH1 ARG A 34 -4.292 5.930 5.772 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.209 3.912 6.150 1.00 0.00 N ATOM 0 H ARG A 34 0.059 6.063 0.522 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.362 8.569 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.167 7.930 1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.190 6.950 0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.641 5.022 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.494 5.835 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.557 6.881 3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.525 5.718 2.631 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.634 4.064 3.720 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.561 6.683 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.577 5.960 6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.654 3.129 5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.494 3.942 7.129 1.00 0.00 H new ATOM 490 N GLU A 35 -0.670 9.373 2.315 1.00 0.00 N ATOM 491 CA GLU A 35 -0.020 9.902 3.502 1.00 0.00 C ATOM 492 C GLU A 35 -0.678 9.339 4.763 1.00 0.00 C ATOM 493 O GLU A 35 -1.883 9.094 4.783 1.00 0.00 O ATOM 494 CB GLU A 35 -0.048 11.432 3.506 1.00 0.00 C ATOM 495 CG GLU A 35 1.330 12.004 3.847 1.00 0.00 C ATOM 496 CD GLU A 35 1.217 13.451 4.334 1.00 0.00 C ATOM 497 OE1 GLU A 35 0.824 14.299 3.505 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.527 13.675 5.524 1.00 0.00 O ATOM 0 H GLU A 35 -1.259 10.041 1.817 1.00 0.00 H new ATOM 0 HA GLU A 35 1.024 9.590 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.365 11.796 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.782 11.784 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.801 11.393 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.973 11.961 2.968 1.00 0.00 H new ATOM 505 N SER A 36 0.143 9.149 5.786 1.00 0.00 N ATOM 506 CA SER A 36 -0.344 8.618 7.048 1.00 0.00 C ATOM 507 C SER A 36 -0.965 9.740 7.882 1.00 0.00 C ATOM 508 O SER A 36 -0.397 10.827 7.988 1.00 0.00 O ATOM 509 CB SER A 36 0.781 7.936 7.829 1.00 0.00 C ATOM 510 OG SER A 36 0.445 6.599 8.190 1.00 0.00 O ATOM 0 H SER A 36 1.142 9.353 5.766 1.00 0.00 H new ATOM 0 HA SER A 36 -1.106 7.869 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.690 7.932 7.227 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.998 8.511 8.729 1.00 0.00 H new ATOM 0 HG SER A 36 1.189 6.197 8.685 1.00 0.00 H new ATOM 516 N LEU A 37 -2.121 9.439 8.453 1.00 0.00 N ATOM 517 CA LEU A 37 -2.825 10.409 9.275 1.00 0.00 C ATOM 518 C LEU A 37 -2.310 10.322 10.713 1.00 0.00 C ATOM 519 O LEU A 37 -2.042 11.344 11.343 1.00 0.00 O ATOM 520 CB LEU A 37 -4.338 10.218 9.152 1.00 0.00 C ATOM 521 CG LEU A 37 -4.993 10.831 7.912 1.00 0.00 C ATOM 522 CD1 LEU A 37 -6.475 10.461 7.835 1.00 0.00 C ATOM 523 CD2 LEU A 37 -4.777 12.345 7.869 1.00 0.00 C ATOM 0 H LEU A 37 -2.589 8.537 8.363 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.625 11.422 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.551 9.149 9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.811 10.644 10.037 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.510 10.412 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.916 10.909 6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.577 9.377 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.989 10.833 8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.252 12.755 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.216 12.800 8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.709 12.559 7.842 1.00 0.00 H new ATOM 535 N SER A 38 -2.186 9.093 11.190 1.00 0.00 N ATOM 536 CA SER A 38 -1.707 8.859 12.542 1.00 0.00 C ATOM 537 C SER A 38 -0.262 9.342 12.676 1.00 0.00 C ATOM 538 O SER A 38 0.166 9.741 13.758 1.00 0.00 O ATOM 539 CB SER A 38 -1.809 7.379 12.915 1.00 0.00 C ATOM 540 OG SER A 38 -2.517 7.183 14.136 1.00 0.00 O ATOM 0 H SER A 38 -2.409 8.248 10.664 1.00 0.00 H new ATOM 0 HA SER A 38 -2.337 9.423 13.230 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.311 6.837 12.114 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.808 6.958 13.005 1.00 0.00 H new ATOM 0 HG SER A 38 -2.562 6.225 14.338 1.00 0.00 H new ATOM 546 N GLN A 39 0.452 9.289 11.561 1.00 0.00 N ATOM 547 CA GLN A 39 1.841 9.715 11.540 1.00 0.00 C ATOM 548 C GLN A 39 2.071 10.719 10.409 1.00 0.00 C ATOM 549 O GLN A 39 2.100 10.344 9.238 1.00 0.00 O ATOM 550 CB GLN A 39 2.781 8.516 11.409 1.00 0.00 C ATOM 551 CG GLN A 39 3.563 8.287 12.704 1.00 0.00 C ATOM 552 CD GLN A 39 2.626 7.899 13.849 1.00 0.00 C ATOM 553 OE1 GLN A 39 1.531 7.400 13.647 1.00 0.00 O ATOM 554 NE2 GLN A 39 3.115 8.155 15.059 1.00 0.00 N ATOM 0 H GLN A 39 0.094 8.957 10.665 1.00 0.00 H new ATOM 0 HA GLN A 39 2.064 10.207 12.487 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.205 7.623 11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.475 8.682 10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.302 7.501 12.552 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.110 9.192 12.968 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.040 8.574 15.157 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.565 7.932 15.889 1.00 0.00 H new ATOM 563 N PRO A 40 2.232 12.009 10.808 1.00 0.00 N ATOM 564 CA PRO A 40 2.459 13.069 9.841 1.00 0.00 C ATOM 565 C PRO A 40 3.889 13.021 9.300 1.00 0.00 C ATOM 566 O PRO A 40 4.845 13.235 10.043 1.00 0.00 O ATOM 567 CB PRO A 40 2.149 14.356 10.588 1.00 0.00 C ATOM 568 CG PRO A 40 2.212 14.005 12.066 1.00 0.00 C ATOM 569 CD PRO A 40 2.204 12.490 12.186 1.00 0.00 C ATOM 0 HA PRO A 40 1.827 12.975 8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.870 15.135 10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.164 14.737 10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.113 14.419 12.519 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.362 14.434 12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.067 12.133 12.748 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.315 12.139 12.710 1.00 0.00 H new ATOM 577 N GLY A 41 3.990 12.740 8.009 1.00 0.00 N ATOM 578 CA GLY A 41 5.288 12.661 7.360 1.00 0.00 C ATOM 579 C GLY A 41 5.493 11.292 6.708 1.00 0.00 C ATOM 580 O GLY A 41 6.032 11.199 5.606 1.00 0.00 O ATOM 0 H GLY A 41 3.195 12.564 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.369 13.443 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.076 12.841 8.091 1.00 0.00 H new ATOM 584 N ASP A 42 5.052 10.263 7.417 1.00 0.00 N ATOM 585 CA ASP A 42 5.181 8.903 6.922 1.00 0.00 C ATOM 586 C ASP A 42 4.091 8.639 5.881 1.00 0.00 C ATOM 587 O ASP A 42 3.194 9.460 5.695 1.00 0.00 O ATOM 588 CB ASP A 42 5.011 7.886 8.052 1.00 0.00 C ATOM 589 CG ASP A 42 6.132 7.884 9.093 1.00 0.00 C ATOM 590 OD1 ASP A 42 6.185 8.859 9.873 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.912 6.907 9.086 1.00 0.00 O ATOM 0 H ASP A 42 4.605 10.344 8.330 1.00 0.00 H new ATOM 0 HA ASP A 42 6.175 8.796 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.066 8.082 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.938 6.890 7.616 1.00 0.00 H new ATOM 596 N PHE A 43 4.205 7.491 5.230 1.00 0.00 N ATOM 597 CA PHE A 43 3.240 7.108 4.213 1.00 0.00 C ATOM 598 C PHE A 43 2.829 5.643 4.370 1.00 0.00 C ATOM 599 O PHE A 43 3.536 4.861 5.003 1.00 0.00 O ATOM 600 CB PHE A 43 3.924 7.291 2.856 1.00 0.00 C ATOM 601 CG PHE A 43 4.430 8.712 2.601 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.585 9.657 2.109 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.725 9.031 2.867 1.00 0.00 C ATOM 604 CE1 PHE A 43 4.055 10.976 1.872 1.00 0.00 C ATOM 605 CE2 PHE A 43 6.195 10.349 2.631 1.00 0.00 C ATOM 606 CZ PHE A 43 5.350 11.294 2.138 1.00 0.00 C ATOM 0 H PHE A 43 4.951 6.813 5.387 1.00 0.00 H new ATOM 0 HA PHE A 43 2.343 7.720 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.764 6.600 2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.222 7.019 2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.556 9.404 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.396 8.281 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.384 11.726 1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.223 10.602 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.708 12.297 1.958 1.00 0.00 H new ATOM 616 N VAL A 44 1.687 5.315 3.783 1.00 0.00 N ATOM 617 CA VAL A 44 1.174 3.958 3.850 1.00 0.00 C ATOM 618 C VAL A 44 0.960 3.427 2.431 1.00 0.00 C ATOM 619 O VAL A 44 0.608 4.185 1.528 1.00 0.00 O ATOM 620 CB VAL A 44 -0.098 3.920 4.700 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.680 2.506 4.754 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.168 4.458 6.107 1.00 0.00 C ATOM 0 H VAL A 44 1.103 5.966 3.259 1.00 0.00 H new ATOM 0 HA VAL A 44 1.895 3.302 4.338 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.837 4.567 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.583 2.507 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.924 2.174 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.052 1.828 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.752 4.420 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.931 3.848 6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.515 5.489 6.043 1.00 0.00 H new ATOM 632 N LEU A 45 1.182 2.130 2.278 1.00 0.00 N ATOM 633 CA LEU A 45 1.019 1.490 0.985 1.00 0.00 C ATOM 634 C LEU A 45 -0.006 0.360 1.106 1.00 0.00 C ATOM 635 O LEU A 45 0.336 -0.752 1.506 1.00 0.00 O ATOM 636 CB LEU A 45 2.373 1.036 0.436 1.00 0.00 C ATOM 637 CG LEU A 45 2.341 0.304 -0.907 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.748 1.192 -2.002 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.730 -0.217 -1.281 1.00 0.00 C ATOM 0 H LEU A 45 1.474 1.505 3.029 1.00 0.00 H new ATOM 0 HA LEU A 45 0.628 2.200 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.014 1.912 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.841 0.382 1.172 1.00 0.00 H new ATOM 0 HG LEU A 45 1.688 -0.563 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.737 0.647 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.729 1.471 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.354 2.091 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.679 -0.733 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.424 0.620 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.078 -0.909 -0.514 1.00 0.00 H new ATOM 651 N SER A 46 -1.241 0.683 0.752 1.00 0.00 N ATOM 652 CA SER A 46 -2.317 -0.291 0.816 1.00 0.00 C ATOM 653 C SER A 46 -2.419 -1.047 -0.510 1.00 0.00 C ATOM 654 O SER A 46 -2.640 -0.442 -1.558 1.00 0.00 O ATOM 655 CB SER A 46 -3.651 0.383 1.146 1.00 0.00 C ATOM 656 OG SER A 46 -4.530 -0.490 1.851 1.00 0.00 O ATOM 0 H SER A 46 -1.521 1.606 0.420 1.00 0.00 H new ATOM 0 HA SER A 46 -2.090 -0.998 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.468 1.275 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.129 0.712 0.223 1.00 0.00 H new ATOM 0 HG SER A 46 -4.054 -0.893 2.607 1.00 0.00 H new ATOM 662 N VAL A 47 -2.252 -2.358 -0.421 1.00 0.00 N ATOM 663 CA VAL A 47 -2.322 -3.203 -1.601 1.00 0.00 C ATOM 664 C VAL A 47 -3.485 -4.186 -1.451 1.00 0.00 C ATOM 665 O VAL A 47 -3.676 -4.768 -0.384 1.00 0.00 O ATOM 666 CB VAL A 47 -0.977 -3.898 -1.828 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.077 -4.932 -2.951 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.125 -2.877 -2.119 1.00 0.00 C ATOM 0 H VAL A 47 -2.068 -2.856 0.450 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.516 -2.602 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.713 -4.424 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.108 -5.411 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.819 -5.685 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.375 -4.437 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.070 -3.397 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.131 -2.310 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.222 -2.196 -1.274 1.00 0.00 H new ATOM 678 N LEU A 48 -4.230 -4.341 -2.535 1.00 0.00 N ATOM 679 CA LEU A 48 -5.369 -5.244 -2.537 1.00 0.00 C ATOM 680 C LEU A 48 -4.895 -6.655 -2.891 1.00 0.00 C ATOM 681 O LEU A 48 -4.238 -6.856 -3.911 1.00 0.00 O ATOM 682 CB LEU A 48 -6.469 -4.716 -3.460 1.00 0.00 C ATOM 683 CG LEU A 48 -7.882 -5.237 -3.186 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.357 -4.825 -1.792 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.854 -4.787 -4.279 1.00 0.00 C ATOM 0 H LEU A 48 -4.068 -3.857 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.815 -5.297 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.484 -3.628 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.204 -4.965 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.855 -6.326 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.363 -5.208 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.682 -5.236 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.365 -3.738 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.851 -5.171 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.884 -3.698 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.521 -5.171 -5.243 1.00 0.00 H new ATOM 697 N SER A 49 -5.247 -7.596 -2.027 1.00 0.00 N ATOM 698 CA SER A 49 -4.866 -8.983 -2.235 1.00 0.00 C ATOM 699 C SER A 49 -5.951 -9.710 -3.033 1.00 0.00 C ATOM 700 O SER A 49 -7.095 -9.262 -3.081 1.00 0.00 O ATOM 701 CB SER A 49 -4.621 -9.693 -0.902 1.00 0.00 C ATOM 702 OG SER A 49 -5.713 -10.532 -0.536 1.00 0.00 O ATOM 0 H SER A 49 -5.792 -7.425 -1.182 1.00 0.00 H new ATOM 0 HA SER A 49 -3.935 -9.001 -2.801 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.712 -10.290 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.456 -8.951 -0.121 1.00 0.00 H new ATOM 0 HG SER A 49 -5.679 -10.712 0.427 1.00 0.00 H new ATOM 708 N ASP A 50 -5.552 -10.819 -3.638 1.00 0.00 N ATOM 709 CA ASP A 50 -6.476 -11.612 -4.431 1.00 0.00 C ATOM 710 C ASP A 50 -7.124 -12.674 -3.539 1.00 0.00 C ATOM 711 O ASP A 50 -7.602 -13.695 -4.032 1.00 0.00 O ATOM 712 CB ASP A 50 -5.749 -12.331 -5.569 1.00 0.00 C ATOM 713 CG ASP A 50 -5.040 -13.625 -5.168 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.772 -13.774 -3.956 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.780 -14.437 -6.083 1.00 0.00 O ATOM 0 H ASP A 50 -4.602 -11.187 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.225 -10.939 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.470 -12.558 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.014 -11.650 -5.998 1.00 0.00 H new ATOM 720 N GLN A 51 -7.120 -12.396 -2.244 1.00 0.00 N ATOM 721 CA GLN A 51 -7.702 -13.314 -1.280 1.00 0.00 C ATOM 722 C GLN A 51 -8.911 -12.672 -0.598 1.00 0.00 C ATOM 723 O GLN A 51 -8.764 -11.725 0.173 1.00 0.00 O ATOM 724 CB GLN A 51 -6.662 -13.758 -0.249 1.00 0.00 C ATOM 725 CG GLN A 51 -5.663 -14.739 -0.864 1.00 0.00 C ATOM 726 CD GLN A 51 -5.565 -16.018 -0.030 1.00 0.00 C ATOM 727 OE1 GLN A 51 -6.467 -16.840 0.002 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.424 -16.140 0.642 1.00 0.00 N ATOM 0 H GLN A 51 -6.723 -11.548 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.040 -14.203 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.132 -12.887 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.162 -14.227 0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.970 -14.986 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.682 -14.269 -0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.710 -15.415 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.263 -16.959 1.229 1.00 0.00 H new ATOM 737 N PRO A 52 -10.112 -13.227 -0.914 1.00 0.00 N ATOM 738 CA PRO A 52 -11.346 -12.719 -0.341 1.00 0.00 C ATOM 739 C PRO A 52 -11.492 -13.153 1.119 1.00 0.00 C ATOM 740 O PRO A 52 -10.676 -13.920 1.627 1.00 0.00 O ATOM 741 CB PRO A 52 -12.449 -13.263 -1.235 1.00 0.00 C ATOM 742 CG PRO A 52 -11.833 -14.428 -1.994 1.00 0.00 C ATOM 743 CD PRO A 52 -10.325 -14.350 -1.823 1.00 0.00 C ATOM 0 HA PRO A 52 -11.378 -11.630 -0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.305 -13.590 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.809 -12.497 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.212 -15.376 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.101 -14.380 -3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.925 -15.276 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.826 -14.186 -2.778 1.00 0.00 H new ATOM 751 N LYS A 53 -12.537 -12.642 1.753 1.00 0.00 N ATOM 752 CA LYS A 53 -12.800 -12.967 3.145 1.00 0.00 C ATOM 753 C LYS A 53 -13.830 -14.096 3.215 1.00 0.00 C ATOM 754 O LYS A 53 -13.680 -15.030 4.002 1.00 0.00 O ATOM 755 CB LYS A 53 -13.210 -11.713 3.920 1.00 0.00 C ATOM 756 CG LYS A 53 -12.112 -10.649 3.861 1.00 0.00 C ATOM 757 CD LYS A 53 -12.658 -9.275 4.253 1.00 0.00 C ATOM 758 CE LYS A 53 -13.013 -9.230 5.741 1.00 0.00 C ATOM 759 NZ LYS A 53 -11.829 -8.855 6.546 1.00 0.00 N ATOM 0 H LYS A 53 -13.212 -12.005 1.329 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.893 -13.331 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.134 -11.311 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.414 -11.973 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.297 -10.925 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.697 -10.605 2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.917 -8.508 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.542 -9.048 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.816 -8.512 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.385 -10.203 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.951 -9.194 7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.978 -9.287 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.725 -7.820 6.550 1.00 0.00 H new ATOM 773 N ALA A 54 -14.852 -13.975 2.381 1.00 0.00 N ATOM 774 CA ALA A 54 -15.906 -14.974 2.338 1.00 0.00 C ATOM 775 C ALA A 54 -15.854 -15.707 0.996 1.00 0.00 C ATOM 776 O ALA A 54 -16.263 -16.863 0.900 1.00 0.00 O ATOM 777 CB ALA A 54 -17.258 -14.301 2.582 1.00 0.00 C ATOM 0 H ALA A 54 -14.973 -13.200 1.729 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.764 -15.715 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.049 -15.051 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.254 -13.820 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.436 -13.552 1.810 1.00 0.00 H new ATOM 783 N GLY A 55 -15.346 -15.005 -0.006 1.00 0.00 N ATOM 784 CA GLY A 55 -15.235 -15.574 -1.338 1.00 0.00 C ATOM 785 C GLY A 55 -15.942 -14.695 -2.372 1.00 0.00 C ATOM 786 O GLY A 55 -15.630 -13.512 -2.503 1.00 0.00 O ATOM 0 H GLY A 55 -15.007 -14.047 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.184 -15.681 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.670 -16.574 -1.347 1.00 0.00 H new ATOM 790 N PRO A 56 -16.905 -15.322 -3.098 1.00 0.00 N ATOM 791 CA PRO A 56 -17.658 -14.609 -4.116 1.00 0.00 C ATOM 792 C PRO A 56 -18.694 -13.679 -3.480 1.00 0.00 C ATOM 793 O PRO A 56 -19.618 -14.138 -2.810 1.00 0.00 O ATOM 794 CB PRO A 56 -18.284 -15.695 -4.975 1.00 0.00 C ATOM 795 CG PRO A 56 -18.241 -16.964 -4.140 1.00 0.00 C ATOM 796 CD PRO A 56 -17.301 -16.721 -2.970 1.00 0.00 C ATOM 0 HA PRO A 56 -17.032 -13.953 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.309 -15.439 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.733 -15.822 -5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -19.238 -17.219 -3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.893 -17.805 -4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.798 -16.907 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.436 -17.383 -3.013 1.00 0.00 H new ATOM 804 N GLY A 57 -18.505 -12.389 -3.713 1.00 0.00 N ATOM 805 CA GLY A 57 -19.412 -11.390 -3.172 1.00 0.00 C ATOM 806 C GLY A 57 -18.840 -10.763 -1.899 1.00 0.00 C ATOM 807 O GLY A 57 -19.508 -9.968 -1.240 1.00 0.00 O ATOM 0 H GLY A 57 -17.737 -12.012 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.589 -10.614 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.376 -11.849 -2.954 1.00 0.00 H new ATOM 811 N SER A 58 -17.609 -11.144 -1.591 1.00 0.00 N ATOM 812 CA SER A 58 -16.939 -10.629 -0.409 1.00 0.00 C ATOM 813 C SER A 58 -15.771 -9.730 -0.819 1.00 0.00 C ATOM 814 O SER A 58 -15.203 -9.897 -1.897 1.00 0.00 O ATOM 815 CB SER A 58 -16.444 -11.769 0.484 1.00 0.00 C ATOM 816 OG SER A 58 -15.354 -12.473 -0.104 1.00 0.00 O ATOM 0 H SER A 58 -17.058 -11.804 -2.140 1.00 0.00 H new ATOM 0 HA SER A 58 -17.657 -10.042 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.137 -11.366 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.263 -12.462 0.674 1.00 0.00 H new ATOM 0 HG SER A 58 -15.438 -12.450 -1.080 1.00 0.00 H new ATOM 822 N PRO A 59 -15.438 -8.772 0.086 1.00 0.00 N ATOM 823 CA PRO A 59 -14.348 -7.846 -0.170 1.00 0.00 C ATOM 824 C PRO A 59 -12.992 -8.533 0.007 1.00 0.00 C ATOM 825 O PRO A 59 -12.834 -9.387 0.878 1.00 0.00 O ATOM 826 CB PRO A 59 -14.566 -6.701 0.806 1.00 0.00 C ATOM 827 CG PRO A 59 -15.492 -7.242 1.883 1.00 0.00 C ATOM 828 CD PRO A 59 -16.088 -8.544 1.374 1.00 0.00 C ATOM 0 HA PRO A 59 -14.340 -7.480 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.621 -6.368 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.010 -5.840 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.943 -7.410 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.280 -6.523 2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.895 -9.364 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.170 -8.468 1.263 1.00 0.00 H new ATOM 836 N LEU A 60 -12.049 -8.135 -0.834 1.00 0.00 N ATOM 837 CA LEU A 60 -10.712 -8.701 -0.781 1.00 0.00 C ATOM 838 C LEU A 60 -9.910 -8.004 0.320 1.00 0.00 C ATOM 839 O LEU A 60 -9.806 -6.779 0.336 1.00 0.00 O ATOM 840 CB LEU A 60 -10.048 -8.638 -2.158 1.00 0.00 C ATOM 841 CG LEU A 60 -10.672 -9.517 -3.244 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.086 -9.189 -4.619 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.528 -11.000 -2.899 1.00 0.00 C ATOM 0 H LEU A 60 -12.184 -7.427 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.757 -9.759 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.066 -7.604 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.001 -8.919 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.739 -9.299 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.547 -9.828 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.284 -8.144 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.010 -9.361 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.980 -11.602 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.471 -11.252 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.030 -11.204 -1.953 1.00 0.00 H new ATOM 855 N ARG A 61 -9.365 -8.816 1.215 1.00 0.00 N ATOM 856 CA ARG A 61 -8.576 -8.292 2.317 1.00 0.00 C ATOM 857 C ARG A 61 -7.639 -7.189 1.822 1.00 0.00 C ATOM 858 O ARG A 61 -7.288 -7.150 0.644 1.00 0.00 O ATOM 859 CB ARG A 61 -7.748 -9.398 2.976 1.00 0.00 C ATOM 860 CG ARG A 61 -8.311 -9.758 4.352 1.00 0.00 C ATOM 861 CD ARG A 61 -7.635 -11.012 4.910 1.00 0.00 C ATOM 862 NE ARG A 61 -7.336 -10.829 6.348 1.00 0.00 N ATOM 863 CZ ARG A 61 -8.253 -10.912 7.322 1.00 0.00 C ATOM 864 NH1 ARG A 61 -9.531 -11.175 7.019 1.00 0.00 N ATOM 865 NH2 ARG A 61 -7.891 -10.731 8.600 1.00 0.00 N ATOM 0 H ARG A 61 -9.454 -9.832 1.199 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.267 -7.882 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.743 -10.282 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.713 -9.071 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.163 -8.925 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.386 -9.923 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.284 -11.877 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.715 -11.214 4.362 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.372 -10.627 6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.807 -11.312 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.228 -11.238 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.918 -10.530 8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.589 -10.794 9.341 1.00 0.00 H new ATOM 879 N VAL A 62 -7.260 -6.319 2.747 1.00 0.00 N ATOM 880 CA VAL A 62 -6.370 -5.219 2.420 1.00 0.00 C ATOM 881 C VAL A 62 -5.085 -5.346 3.240 1.00 0.00 C ATOM 882 O VAL A 62 -5.107 -5.854 4.360 1.00 0.00 O ATOM 883 CB VAL A 62 -7.087 -3.884 2.635 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.159 -2.707 2.326 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.366 -3.808 1.799 1.00 0.00 C ATOM 0 H VAL A 62 -7.554 -6.354 3.723 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.088 -5.256 1.368 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.369 -3.821 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.693 -1.771 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.290 -2.747 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.832 -2.764 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.856 -2.850 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.116 -3.904 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.038 -4.616 2.088 1.00 0.00 H new ATOM 895 N THR A 63 -3.995 -4.875 2.651 1.00 0.00 N ATOM 896 CA THR A 63 -2.703 -4.930 3.313 1.00 0.00 C ATOM 897 C THR A 63 -2.032 -3.555 3.288 1.00 0.00 C ATOM 898 O THR A 63 -1.641 -3.071 2.227 1.00 0.00 O ATOM 899 CB THR A 63 -1.872 -6.024 2.639 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.330 -7.230 3.245 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.392 -5.954 3.021 1.00 0.00 C ATOM 0 H THR A 63 -3.981 -4.454 1.722 1.00 0.00 H new ATOM 0 HA THR A 63 -2.810 -5.186 4.367 1.00 0.00 H new ATOM 0 HB THR A 63 -1.972 -5.941 1.557 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.845 -7.992 2.865 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.152 -6.752 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.016 -4.989 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.289 -6.071 4.100 1.00 0.00 H new ATOM 909 N HIS A 64 -1.920 -2.965 4.469 1.00 0.00 N ATOM 910 CA HIS A 64 -1.304 -1.656 4.596 1.00 0.00 C ATOM 911 C HIS A 64 0.200 -1.817 4.828 1.00 0.00 C ATOM 912 O HIS A 64 0.622 -2.284 5.885 1.00 0.00 O ATOM 913 CB HIS A 64 -1.988 -0.837 5.692 1.00 0.00 C ATOM 914 CG HIS A 64 -3.456 -0.585 5.445 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.917 0.467 4.673 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.561 -1.260 5.873 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.240 0.419 4.646 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.638 -0.652 5.391 1.00 0.00 N ATOM 0 H HIS A 64 -2.246 -3.370 5.347 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.436 -1.097 3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.874 -1.356 6.644 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.477 0.121 5.788 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.336 1.162 4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.560 -2.140 6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.890 1.107 4.126 1.00 0.00 H new ATOM 926 N ILE A 65 0.967 -1.421 3.823 1.00 0.00 N ATOM 927 CA ILE A 65 2.415 -1.516 3.904 1.00 0.00 C ATOM 928 C ILE A 65 2.990 -0.151 4.288 1.00 0.00 C ATOM 929 O ILE A 65 3.236 0.689 3.424 1.00 0.00 O ATOM 930 CB ILE A 65 2.989 -2.081 2.603 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.511 -3.516 2.371 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.515 -1.974 2.585 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.561 -3.591 1.174 1.00 0.00 C ATOM 0 H ILE A 65 0.613 -1.034 2.948 1.00 0.00 H new ATOM 0 HA ILE A 65 2.708 -2.218 4.685 1.00 0.00 H new ATOM 0 HB ILE A 65 2.615 -1.480 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.369 -4.166 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.006 -3.884 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.897 -2.383 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.807 -0.927 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.929 -2.536 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.236 -4.622 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.692 -2.959 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.077 -3.246 0.278 1.00 0.00 H new ATOM 945 N LYS A 66 3.188 0.028 5.586 1.00 0.00 N ATOM 946 CA LYS A 66 3.730 1.276 6.096 1.00 0.00 C ATOM 947 C LYS A 66 5.087 1.543 5.441 1.00 0.00 C ATOM 948 O LYS A 66 5.766 0.612 5.011 1.00 0.00 O ATOM 949 CB LYS A 66 3.778 1.254 7.625 1.00 0.00 C ATOM 950 CG LYS A 66 2.525 1.899 8.222 1.00 0.00 C ATOM 951 CD LYS A 66 2.363 1.520 9.695 1.00 0.00 C ATOM 952 CE LYS A 66 1.070 0.732 9.919 1.00 0.00 C ATOM 953 NZ LYS A 66 1.302 -0.387 10.860 1.00 0.00 N ATOM 0 H LYS A 66 2.983 -0.671 6.300 1.00 0.00 H new ATOM 0 HA LYS A 66 3.079 2.110 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.864 0.225 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.665 1.784 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.589 2.983 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.646 1.581 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.217 0.924 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.355 2.422 10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.298 1.393 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.703 0.345 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.415 -0.911 11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.023 -1.026 10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.631 -0.011 11.772 1.00 0.00 H new ATOM 967 N VAL A 67 5.441 2.818 5.387 1.00 0.00 N ATOM 968 CA VAL A 67 6.705 3.219 4.792 1.00 0.00 C ATOM 969 C VAL A 67 7.471 4.100 5.780 1.00 0.00 C ATOM 970 O VAL A 67 6.937 5.091 6.278 1.00 0.00 O ATOM 971 CB VAL A 67 6.456 3.905 3.447 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.669 4.735 3.022 1.00 0.00 C ATOM 973 CG2 VAL A 67 6.086 2.883 2.371 1.00 0.00 C ATOM 0 H VAL A 67 4.875 3.587 5.745 1.00 0.00 H new ATOM 0 HA VAL A 67 7.325 2.346 4.586 1.00 0.00 H new ATOM 0 HB VAL A 67 5.612 4.584 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.466 5.212 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.868 5.500 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.539 4.085 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.914 3.397 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.900 2.168 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.179 2.355 2.667 1.00 0.00 H new ATOM 983 N MET A 68 8.711 3.709 6.035 1.00 0.00 N ATOM 984 CA MET A 68 9.557 4.451 6.954 1.00 0.00 C ATOM 985 C MET A 68 10.468 5.421 6.200 1.00 0.00 C ATOM 986 O MET A 68 11.372 4.998 5.482 1.00 0.00 O ATOM 987 CB MET A 68 10.411 3.474 7.765 1.00 0.00 C ATOM 988 CG MET A 68 9.581 2.796 8.857 1.00 0.00 C ATOM 989 SD MET A 68 10.158 1.127 9.116 1.00 0.00 S ATOM 990 CE MET A 68 8.918 0.225 8.203 1.00 0.00 C ATOM 0 H MET A 68 9.150 2.887 5.621 1.00 0.00 H new ATOM 0 HA MET A 68 8.917 5.028 7.621 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.834 2.718 7.103 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.248 4.006 8.217 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.654 3.363 9.785 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.529 2.786 8.572 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.055 -0.845 8.363 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.927 0.519 8.547 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.014 0.448 7.140 1.00 0.00 H new ATOM 1000 N CYS A 69 10.197 6.705 6.388 1.00 0.00 N ATOM 1001 CA CYS A 69 10.981 7.738 5.734 1.00 0.00 C ATOM 1002 C CYS A 69 12.012 8.265 6.735 1.00 0.00 C ATOM 1003 O CYS A 69 11.717 9.166 7.519 1.00 0.00 O ATOM 1004 CB CYS A 69 10.095 8.858 5.185 1.00 0.00 C ATOM 1005 SG CYS A 69 11.096 10.010 4.174 1.00 0.00 S ATOM 0 H CYS A 69 9.446 7.053 6.984 1.00 0.00 H new ATOM 0 HA CYS A 69 11.496 7.316 4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.292 8.435 4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.625 9.397 6.007 1.00 0.00 H new ATOM 0 HG CYS A 69 10.637 10.031 2.958 1.00 0.00 H new ATOM 1011 N GLU A 70 13.199 7.681 6.676 1.00 0.00 N ATOM 1012 CA GLU A 70 14.275 8.080 7.567 1.00 0.00 C ATOM 1013 C GLU A 70 15.541 8.391 6.766 1.00 0.00 C ATOM 1014 O GLU A 70 15.846 7.707 5.790 1.00 0.00 O ATOM 1015 CB GLU A 70 14.543 7.003 8.620 1.00 0.00 C ATOM 1016 CG GLU A 70 15.069 5.721 7.971 1.00 0.00 C ATOM 1017 CD GLU A 70 15.327 4.640 9.023 1.00 0.00 C ATOM 1018 OE1 GLU A 70 14.407 4.409 9.837 1.00 0.00 O ATOM 1019 OE2 GLU A 70 16.439 4.070 8.990 1.00 0.00 O ATOM 0 H GLU A 70 13.440 6.934 6.025 1.00 0.00 H new ATOM 0 HA GLU A 70 13.969 8.986 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.268 7.371 9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.625 6.788 9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.347 5.357 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.991 5.935 7.430 1.00 0.00 H new ATOM 1026 N GLY A 71 16.244 9.423 7.208 1.00 0.00 N ATOM 1027 CA GLY A 71 17.470 9.833 6.544 1.00 0.00 C ATOM 1028 C GLY A 71 17.248 10.005 5.040 1.00 0.00 C ATOM 1029 O GLY A 71 18.074 9.578 4.234 1.00 0.00 O ATOM 0 H GLY A 71 15.988 9.988 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.824 10.771 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.248 9.090 6.718 1.00 0.00 H new ATOM 1033 N GLY A 72 16.129 10.630 4.707 1.00 0.00 N ATOM 1034 CA GLY A 72 15.788 10.864 3.314 1.00 0.00 C ATOM 1035 C GLY A 72 15.717 9.547 2.539 1.00 0.00 C ATOM 1036 O GLY A 72 15.987 9.513 1.339 1.00 0.00 O ATOM 0 H GLY A 72 15.446 10.982 5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.829 11.379 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.531 11.519 2.859 1.00 0.00 H new ATOM 1040 N ARG A 73 15.353 8.494 3.256 1.00 0.00 N ATOM 1041 CA ARG A 73 15.243 7.177 2.650 1.00 0.00 C ATOM 1042 C ARG A 73 13.929 6.511 3.062 1.00 0.00 C ATOM 1043 O ARG A 73 13.480 6.665 4.197 1.00 0.00 O ATOM 1044 CB ARG A 73 16.412 6.282 3.064 1.00 0.00 C ATOM 1045 CG ARG A 73 17.674 6.624 2.268 1.00 0.00 C ATOM 1046 CD ARG A 73 18.877 5.828 2.778 1.00 0.00 C ATOM 1047 NE ARG A 73 19.610 5.233 1.638 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.783 4.596 1.750 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.365 4.469 2.951 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.376 4.087 0.661 1.00 0.00 N ATOM 0 H ARG A 73 15.130 8.526 4.251 1.00 0.00 H new ATOM 0 HA ARG A 73 15.264 7.307 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.607 6.402 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.149 5.237 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.512 6.408 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.880 7.691 2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.540 6.480 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.543 5.043 3.456 1.00 0.00 H new ATOM 0 HE ARG A 73 19.196 5.313 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.915 4.857 3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 73 22.258 3.984 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 73 20.934 4.185 -0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.269 3.602 0.746 1.00 0.00 H new ATOM 1064 N TYR A 74 13.348 5.786 2.117 1.00 0.00 N ATOM 1065 CA TYR A 74 12.094 5.096 2.368 1.00 0.00 C ATOM 1066 C TYR A 74 12.301 3.580 2.405 1.00 0.00 C ATOM 1067 O TYR A 74 13.059 3.034 1.606 1.00 0.00 O ATOM 1068 CB TYR A 74 11.179 5.446 1.193 1.00 0.00 C ATOM 1069 CG TYR A 74 10.748 6.913 1.155 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.727 7.354 1.972 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.382 7.796 0.304 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.322 8.736 1.936 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.977 9.178 0.268 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.967 9.579 1.086 1.00 0.00 C ATOM 1075 OH TYR A 74 9.584 10.884 1.052 1.00 0.00 O ATOM 0 H TYR A 74 13.723 5.662 1.176 1.00 0.00 H new ATOM 0 HA TYR A 74 11.675 5.397 3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.692 5.205 0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.289 4.818 1.239 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.232 6.663 2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.182 7.451 -0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.524 9.094 2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.464 9.879 -0.393 1.00 0.00 H new ATOM 0 HH TYR A 74 10.132 11.369 0.400 1.00 0.00 H new ATOM 1085 N THR A 75 11.611 2.944 3.341 1.00 0.00 N ATOM 1086 CA THR A 75 11.709 1.502 3.493 1.00 0.00 C ATOM 1087 C THR A 75 10.451 0.950 4.165 1.00 0.00 C ATOM 1088 O THR A 75 9.803 1.646 4.946 1.00 0.00 O ATOM 1089 CB THR A 75 12.995 1.194 4.263 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.901 -0.198 4.553 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.026 1.860 5.640 1.00 0.00 C ATOM 0 H THR A 75 10.982 3.401 4.001 1.00 0.00 H new ATOM 0 HA THR A 75 11.766 1.005 2.525 1.00 0.00 H new ATOM 0 HB THR A 75 13.855 1.524 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.791 -0.548 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.959 1.609 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.956 2.941 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.185 1.504 6.235 1.00 0.00 H new ATOM 1099 N VAL A 76 10.142 -0.296 3.837 1.00 0.00 N ATOM 1100 CA VAL A 76 8.972 -0.949 4.399 1.00 0.00 C ATOM 1101 C VAL A 76 9.379 -1.721 5.656 1.00 0.00 C ATOM 1102 O VAL A 76 8.575 -2.458 6.225 1.00 0.00 O ATOM 1103 CB VAL A 76 8.309 -1.835 3.343 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.035 -1.047 2.060 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.159 -3.074 3.054 1.00 0.00 C ATOM 0 H VAL A 76 10.681 -0.870 3.189 1.00 0.00 H new ATOM 0 HA VAL A 76 8.229 -0.210 4.697 1.00 0.00 H new ATOM 0 HB VAL A 76 7.352 -2.171 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.563 -1.700 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.372 -0.211 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.975 -0.668 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.665 -3.687 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.138 -2.766 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.281 -3.653 3.969 1.00 0.00 H new ATOM 1115 N GLY A 77 10.628 -1.525 6.053 1.00 0.00 N ATOM 1116 CA GLY A 77 11.152 -2.194 7.232 1.00 0.00 C ATOM 1117 C GLY A 77 12.287 -3.150 6.862 1.00 0.00 C ATOM 1118 O GLY A 77 12.724 -3.951 7.687 1.00 0.00 O ATOM 0 H GLY A 77 11.292 -0.913 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.514 -1.453 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.353 -2.747 7.726 1.00 0.00 H new ATOM 1122 N GLY A 78 12.733 -3.036 5.619 1.00 0.00 N ATOM 1123 CA GLY A 78 13.808 -3.880 5.129 1.00 0.00 C ATOM 1124 C GLY A 78 15.119 -3.097 5.030 1.00 0.00 C ATOM 1125 O GLY A 78 15.137 -1.883 5.229 1.00 0.00 O ATOM 0 H GLY A 78 12.368 -2.371 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.939 -4.732 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.544 -4.279 4.150 1.00 0.00 H new ATOM 1129 N LEU A 79 16.184 -3.823 4.723 1.00 0.00 N ATOM 1130 CA LEU A 79 17.496 -3.211 4.596 1.00 0.00 C ATOM 1131 C LEU A 79 17.486 -2.236 3.417 1.00 0.00 C ATOM 1132 O LEU A 79 17.929 -1.096 3.547 1.00 0.00 O ATOM 1133 CB LEU A 79 18.580 -4.286 4.496 1.00 0.00 C ATOM 1134 CG LEU A 79 19.196 -4.742 5.820 1.00 0.00 C ATOM 1135 CD1 LEU A 79 19.249 -6.269 5.902 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.573 -4.109 6.031 1.00 0.00 C ATOM 0 H LEU A 79 16.165 -4.829 4.558 1.00 0.00 H new ATOM 0 HA LEU A 79 17.735 -2.632 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.155 -5.157 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.379 -3.910 3.857 1.00 0.00 H new ATOM 0 HG LEU A 79 18.555 -4.397 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.691 -6.567 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.239 -6.673 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.855 -6.657 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.989 -4.450 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.237 -4.402 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.476 -3.023 6.047 1.00 0.00 H new ATOM 1148 N GLU A 80 16.976 -2.719 2.294 1.00 0.00 N ATOM 1149 CA GLU A 80 16.903 -1.904 1.094 1.00 0.00 C ATOM 1150 C GLU A 80 16.122 -0.618 1.372 1.00 0.00 C ATOM 1151 O GLU A 80 15.213 -0.606 2.201 1.00 0.00 O ATOM 1152 CB GLU A 80 16.277 -2.685 -0.063 1.00 0.00 C ATOM 1153 CG GLU A 80 17.148 -3.883 -0.450 1.00 0.00 C ATOM 1154 CD GLU A 80 16.351 -4.897 -1.273 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.244 -5.255 -0.814 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.866 -5.291 -2.342 1.00 0.00 O ATOM 0 H GLU A 80 16.609 -3.665 2.190 1.00 0.00 H new ATOM 0 HA GLU A 80 17.917 -1.634 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.283 -3.030 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.152 -2.029 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.010 -3.541 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.534 -4.362 0.450 1.00 0.00 H new ATOM 1163 N THR A 81 16.505 0.435 0.664 1.00 0.00 N ATOM 1164 CA THR A 81 15.852 1.723 0.825 1.00 0.00 C ATOM 1165 C THR A 81 15.642 2.388 -0.537 1.00 0.00 C ATOM 1166 O THR A 81 15.992 1.819 -1.570 1.00 0.00 O ATOM 1167 CB THR A 81 16.693 2.562 1.788 1.00 0.00 C ATOM 1168 OG1 THR A 81 18.039 2.262 1.426 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.580 2.082 3.236 1.00 0.00 C ATOM 0 H THR A 81 17.259 0.422 -0.022 1.00 0.00 H new ATOM 0 HA THR A 81 14.856 1.611 1.254 1.00 0.00 H new ATOM 0 HB THR A 81 16.382 3.605 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.652 2.766 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.196 2.712 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.541 2.142 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.922 1.049 3.305 1.00 0.00 H new ATOM 1177 N PHE A 82 15.072 3.583 -0.495 1.00 0.00 N ATOM 1178 CA PHE A 82 14.811 4.331 -1.712 1.00 0.00 C ATOM 1179 C PHE A 82 14.735 5.833 -1.428 1.00 0.00 C ATOM 1180 O PHE A 82 14.550 6.242 -0.283 1.00 0.00 O ATOM 1181 CB PHE A 82 13.459 3.857 -2.248 1.00 0.00 C ATOM 1182 CG PHE A 82 13.318 2.335 -2.322 1.00 0.00 C ATOM 1183 CD1 PHE A 82 12.829 1.646 -1.256 1.00 0.00 C ATOM 1184 CD2 PHE A 82 13.681 1.672 -3.452 1.00 0.00 C ATOM 1185 CE1 PHE A 82 12.698 0.234 -1.324 1.00 0.00 C ATOM 1186 CE2 PHE A 82 13.550 0.260 -3.520 1.00 0.00 C ATOM 1187 CZ PHE A 82 13.061 -0.430 -2.454 1.00 0.00 C ATOM 0 H PHE A 82 14.783 4.052 0.364 1.00 0.00 H new ATOM 0 HA PHE A 82 15.614 4.164 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.668 4.254 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.308 4.275 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.541 2.173 -0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.069 2.220 -4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.310 -0.313 -0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 82 13.838 -0.266 -4.418 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.961 -1.504 -2.505 1.00 0.00 H new ATOM 1197 N ASP A 83 14.882 6.612 -2.489 1.00 0.00 N ATOM 1198 CA ASP A 83 14.833 8.059 -2.367 1.00 0.00 C ATOM 1199 C ASP A 83 13.436 8.552 -2.753 1.00 0.00 C ATOM 1200 O ASP A 83 12.896 9.456 -2.118 1.00 0.00 O ATOM 1201 CB ASP A 83 15.844 8.726 -3.302 1.00 0.00 C ATOM 1202 CG ASP A 83 16.936 9.536 -2.602 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.468 9.020 -1.595 1.00 0.00 O ATOM 1204 OD2 ASP A 83 17.215 10.653 -3.089 1.00 0.00 O ATOM 0 H ASP A 83 15.035 6.269 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 83 15.071 8.318 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.318 7.955 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.306 9.384 -3.984 1.00 0.00 H new ATOM 1209 N SER A 84 12.892 7.935 -3.792 1.00 0.00 N ATOM 1210 CA SER A 84 11.569 8.299 -4.269 1.00 0.00 C ATOM 1211 C SER A 84 10.614 7.114 -4.119 1.00 0.00 C ATOM 1212 O SER A 84 10.996 5.970 -4.360 1.00 0.00 O ATOM 1213 CB SER A 84 11.618 8.760 -5.727 1.00 0.00 C ATOM 1214 OG SER A 84 12.685 9.675 -5.963 1.00 0.00 O ATOM 0 H SER A 84 13.343 7.186 -4.316 1.00 0.00 H new ATOM 0 HA SER A 84 11.204 9.130 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.734 7.893 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.671 9.232 -5.990 1.00 0.00 H new ATOM 0 HG SER A 84 12.683 9.944 -6.905 1.00 0.00 H new ATOM 1220 N LEU A 85 9.389 7.428 -3.722 1.00 0.00 N ATOM 1221 CA LEU A 85 8.376 6.403 -3.537 1.00 0.00 C ATOM 1222 C LEU A 85 8.323 5.514 -4.781 1.00 0.00 C ATOM 1223 O LEU A 85 8.092 4.310 -4.679 1.00 0.00 O ATOM 1224 CB LEU A 85 7.032 7.037 -3.176 1.00 0.00 C ATOM 1225 CG LEU A 85 6.641 6.987 -1.698 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.154 5.590 -1.307 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.793 7.461 -0.810 1.00 0.00 C ATOM 0 H LEU A 85 9.075 8.378 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 85 8.634 5.759 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.049 8.080 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.252 6.541 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 85 5.809 7.674 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.882 5.582 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.283 5.327 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.949 4.865 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.489 7.416 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.660 6.818 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.053 8.488 -1.068 1.00 0.00 H new ATOM 1239 N THR A 86 8.541 6.142 -5.928 1.00 0.00 N ATOM 1240 CA THR A 86 8.521 5.423 -7.190 1.00 0.00 C ATOM 1241 C THR A 86 9.564 4.303 -7.183 1.00 0.00 C ATOM 1242 O THR A 86 9.242 3.149 -7.459 1.00 0.00 O ATOM 1243 CB THR A 86 8.727 6.438 -8.316 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.479 7.122 -8.399 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.878 5.772 -9.685 1.00 0.00 C ATOM 0 H THR A 86 8.732 7.141 -6.009 1.00 0.00 H new ATOM 0 HA THR A 86 7.562 4.930 -7.349 1.00 0.00 H new ATOM 0 HB THR A 86 9.612 7.039 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.911 6.859 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.022 6.537 -10.448 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.741 5.106 -9.672 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.979 5.198 -9.911 1.00 0.00 H new ATOM 1253 N ASP A 87 10.792 4.685 -6.865 1.00 0.00 N ATOM 1254 CA ASP A 87 11.885 3.728 -6.819 1.00 0.00 C ATOM 1255 C ASP A 87 11.571 2.652 -5.777 1.00 0.00 C ATOM 1256 O ASP A 87 12.177 1.582 -5.782 1.00 0.00 O ATOM 1257 CB ASP A 87 13.195 4.407 -6.417 1.00 0.00 C ATOM 1258 CG ASP A 87 14.287 4.391 -7.489 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.064 5.035 -8.537 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.320 3.734 -7.237 1.00 0.00 O ATOM 0 H ASP A 87 11.055 5.644 -6.637 1.00 0.00 H new ATOM 0 HA ASP A 87 11.995 3.293 -7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.983 5.443 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.579 3.920 -5.521 1.00 0.00 H new ATOM 1265 N LEU A 88 10.625 2.975 -4.907 1.00 0.00 N ATOM 1266 CA LEU A 88 10.223 2.050 -3.861 1.00 0.00 C ATOM 1267 C LEU A 88 9.128 1.126 -4.396 1.00 0.00 C ATOM 1268 O LEU A 88 9.253 -0.096 -4.327 1.00 0.00 O ATOM 1269 CB LEU A 88 9.822 2.812 -2.596 1.00 0.00 C ATOM 1270 CG LEU A 88 9.652 1.970 -1.331 1.00 0.00 C ATOM 1271 CD1 LEU A 88 10.029 2.771 -0.084 1.00 0.00 C ATOM 1272 CD2 LEU A 88 8.235 1.399 -1.238 1.00 0.00 C ATOM 0 H LEU A 88 10.125 3.864 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 88 11.061 1.416 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.575 3.575 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.884 3.332 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 88 10.337 1.124 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.899 2.149 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.070 3.087 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.387 3.649 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.141 0.804 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.514 2.216 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.039 0.769 -2.106 1.00 0.00 H new ATOM 1284 N VAL A 89 8.078 1.745 -4.917 1.00 0.00 N ATOM 1285 CA VAL A 89 6.961 0.993 -5.463 1.00 0.00 C ATOM 1286 C VAL A 89 7.437 0.190 -6.675 1.00 0.00 C ATOM 1287 O VAL A 89 7.035 -0.958 -6.860 1.00 0.00 O ATOM 1288 CB VAL A 89 5.804 1.939 -5.790 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.858 1.314 -6.817 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.048 2.339 -4.521 1.00 0.00 C ATOM 0 H VAL A 89 7.978 2.759 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 89 6.584 0.281 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 89 6.225 2.844 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.045 2.007 -7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.406 1.102 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.448 0.386 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.231 3.012 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.645 1.447 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.729 2.844 -3.836 1.00 0.00 H new ATOM 1300 N GLU A 90 8.286 0.825 -7.470 1.00 0.00 N ATOM 1301 CA GLU A 90 8.821 0.184 -8.659 1.00 0.00 C ATOM 1302 C GLU A 90 9.681 -1.020 -8.271 1.00 0.00 C ATOM 1303 O GLU A 90 9.994 -1.861 -9.113 1.00 0.00 O ATOM 1304 CB GLU A 90 9.618 1.177 -9.506 1.00 0.00 C ATOM 1305 CG GLU A 90 8.698 2.229 -10.129 1.00 0.00 C ATOM 1306 CD GLU A 90 7.804 1.608 -11.205 1.00 0.00 C ATOM 1307 OE1 GLU A 90 8.277 0.647 -11.849 1.00 0.00 O ATOM 1308 OE2 GLU A 90 6.669 2.108 -11.358 1.00 0.00 O ATOM 0 H GLU A 90 8.617 1.777 -7.314 1.00 0.00 H new ATOM 0 HA GLU A 90 7.986 -0.170 -9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.370 1.667 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.151 0.643 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.079 2.681 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.297 3.028 -10.566 1.00 0.00 H new ATOM 1315 N HIS A 91 10.039 -1.066 -6.996 1.00 0.00 N ATOM 1316 CA HIS A 91 10.857 -2.153 -6.487 1.00 0.00 C ATOM 1317 C HIS A 91 9.967 -3.352 -6.152 1.00 0.00 C ATOM 1318 O HIS A 91 10.169 -4.446 -6.677 1.00 0.00 O ATOM 1319 CB HIS A 91 11.698 -1.689 -5.297 1.00 0.00 C ATOM 1320 CG HIS A 91 12.622 -2.749 -4.746 1.00 0.00 C ATOM 1321 ND1 HIS A 91 12.523 -3.526 -3.630 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.808 -3.104 -5.365 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 13.589 -4.314 -3.570 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 14.388 -4.054 -4.645 1.00 0.00 N flip ATOM 0 H HIS A 91 9.777 -0.367 -6.300 1.00 0.00 H new ATOM 0 HA HIS A 91 11.563 -2.471 -7.254 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.291 -0.826 -5.599 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.031 -1.355 -4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.195 -2.679 -6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 91 13.791 -5.041 -2.798 1.00 0.00 H new ATOM 0 HE2 HIS A 91 15.275 -4.510 -4.857 1.00 0.00 H new ATOM 1332 N PHE A 92 9.001 -3.105 -5.279 1.00 0.00 N ATOM 1333 CA PHE A 92 8.079 -4.150 -4.868 1.00 0.00 C ATOM 1334 C PHE A 92 7.051 -4.437 -5.964 1.00 0.00 C ATOM 1335 O PHE A 92 6.265 -5.376 -5.852 1.00 0.00 O ATOM 1336 CB PHE A 92 7.351 -3.640 -3.623 1.00 0.00 C ATOM 1337 CG PHE A 92 8.277 -3.321 -2.447 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.778 -4.329 -1.684 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.598 -2.030 -2.166 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.637 -4.033 -0.593 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.457 -1.734 -1.075 1.00 0.00 C ATOM 1342 CZ PHE A 92 9.959 -2.742 -0.312 1.00 0.00 C ATOM 0 H PHE A 92 8.837 -2.197 -4.845 1.00 0.00 H new ATOM 0 HA PHE A 92 8.626 -5.072 -4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.791 -2.742 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.624 -4.389 -3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.523 -5.354 -1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.200 -1.230 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.035 -4.833 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.712 -0.709 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.613 -2.517 0.517 1.00 0.00 H new ATOM 1352 N LYS A 93 7.090 -3.610 -6.999 1.00 0.00 N ATOM 1353 CA LYS A 93 6.172 -3.763 -8.114 1.00 0.00 C ATOM 1354 C LYS A 93 6.507 -5.049 -8.873 1.00 0.00 C ATOM 1355 O LYS A 93 5.741 -5.486 -9.730 1.00 0.00 O ATOM 1356 CB LYS A 93 6.182 -2.511 -8.993 1.00 0.00 C ATOM 1357 CG LYS A 93 4.963 -1.631 -8.708 1.00 0.00 C ATOM 1358 CD LYS A 93 4.880 -0.471 -9.701 1.00 0.00 C ATOM 1359 CE LYS A 93 4.437 -0.961 -11.081 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.349 -0.108 -11.610 1.00 0.00 N ATOM 0 H LYS A 93 7.743 -2.832 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 93 5.149 -3.863 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.095 -1.943 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.188 -2.800 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.055 -2.231 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.021 -1.241 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.177 0.277 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.852 0.016 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.284 -0.948 -11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.097 -1.994 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.060 -0.455 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.536 -0.142 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.685 0.873 -11.692 1.00 0.00 H new ATOM 1374 N LYS A 94 7.653 -5.619 -8.530 1.00 0.00 N ATOM 1375 CA LYS A 94 8.099 -6.845 -9.168 1.00 0.00 C ATOM 1376 C LYS A 94 8.323 -7.918 -8.100 1.00 0.00 C ATOM 1377 O LYS A 94 7.677 -8.964 -8.121 1.00 0.00 O ATOM 1378 CB LYS A 94 9.328 -6.580 -10.040 1.00 0.00 C ATOM 1379 CG LYS A 94 9.924 -5.202 -9.743 1.00 0.00 C ATOM 1380 CD LYS A 94 11.042 -4.863 -10.731 1.00 0.00 C ATOM 1381 CE LYS A 94 12.412 -4.934 -10.054 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.225 -6.022 -10.642 1.00 0.00 N ATOM 0 H LYS A 94 8.286 -5.254 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 94 7.332 -7.222 -9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.078 -7.351 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.052 -6.642 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.142 -4.444 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.315 -5.183 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.012 -5.556 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.884 -3.863 -11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.930 -3.982 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.287 -5.103 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.152 -6.056 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.736 -6.930 -10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.359 -5.845 -11.658 1.00 0.00 H new ATOM 1396 N THR A 95 9.241 -7.621 -7.192 1.00 0.00 N ATOM 1397 CA THR A 95 9.559 -8.547 -6.119 1.00 0.00 C ATOM 1398 C THR A 95 8.290 -8.937 -5.358 1.00 0.00 C ATOM 1399 O THR A 95 8.013 -10.121 -5.171 1.00 0.00 O ATOM 1400 CB THR A 95 10.622 -7.896 -5.232 1.00 0.00 C ATOM 1401 OG1 THR A 95 10.033 -6.663 -4.831 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.865 -7.477 -6.020 1.00 0.00 C ATOM 0 H THR A 95 9.775 -6.752 -7.178 1.00 0.00 H new ATOM 0 HA THR A 95 9.967 -9.479 -6.509 1.00 0.00 H new ATOM 0 HB THR A 95 10.910 -8.590 -4.442 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.258 -5.966 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.588 -7.021 -5.344 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.311 -8.354 -6.490 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.583 -6.758 -6.789 1.00 0.00 H new ATOM 1410 N GLY A 96 7.552 -7.919 -4.941 1.00 0.00 N ATOM 1411 CA GLY A 96 6.319 -8.141 -4.205 1.00 0.00 C ATOM 1412 C GLY A 96 6.520 -7.890 -2.709 1.00 0.00 C ATOM 1413 O GLY A 96 7.590 -7.452 -2.288 1.00 0.00 O ATOM 0 H GLY A 96 7.784 -6.938 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.540 -7.481 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.976 -9.164 -4.363 1.00 0.00 H new ATOM 1417 N ILE A 97 5.475 -8.178 -1.948 1.00 0.00 N ATOM 1418 CA ILE A 97 5.523 -7.989 -0.508 1.00 0.00 C ATOM 1419 C ILE A 97 5.131 -9.294 0.187 1.00 0.00 C ATOM 1420 O ILE A 97 4.371 -10.090 -0.363 1.00 0.00 O ATOM 1421 CB ILE A 97 4.666 -6.791 -0.095 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.277 -5.481 -0.596 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.437 -6.775 1.417 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.188 -4.485 -0.999 1.00 0.00 C ATOM 0 H ILE A 97 4.590 -8.541 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 97 6.538 -7.750 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 97 3.689 -6.892 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.902 -5.046 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.925 -5.681 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.825 -5.913 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.926 -7.690 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.397 -6.711 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.651 -3.563 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.580 -4.913 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.556 -4.268 -0.137 1.00 0.00 H new ATOM 1436 N GLU A 98 5.666 -9.474 1.386 1.00 0.00 N ATOM 1437 CA GLU A 98 5.381 -10.669 2.161 1.00 0.00 C ATOM 1438 C GLU A 98 4.536 -10.317 3.387 1.00 0.00 C ATOM 1439 O GLU A 98 4.948 -9.511 4.220 1.00 0.00 O ATOM 1440 CB GLU A 98 6.674 -11.377 2.572 1.00 0.00 C ATOM 1441 CG GLU A 98 6.376 -12.601 3.441 1.00 0.00 C ATOM 1442 CD GLU A 98 7.571 -12.943 4.333 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.674 -13.103 3.767 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.355 -13.037 5.560 1.00 0.00 O ATOM 0 H GLU A 98 6.295 -8.812 1.839 1.00 0.00 H new ATOM 0 HA GLU A 98 4.811 -11.357 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.224 -11.683 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.314 -10.685 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.499 -12.408 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.136 -13.453 2.805 1.00 0.00 H new ATOM 1451 N GLU A 99 3.368 -10.939 3.460 1.00 0.00 N ATOM 1452 CA GLU A 99 2.462 -10.702 4.570 1.00 0.00 C ATOM 1453 C GLU A 99 3.007 -11.344 5.847 1.00 0.00 C ATOM 1454 O GLU A 99 4.130 -11.846 5.863 1.00 0.00 O ATOM 1455 CB GLU A 99 1.058 -11.221 4.252 1.00 0.00 C ATOM 1456 CG GLU A 99 0.573 -10.696 2.899 1.00 0.00 C ATOM 1457 CD GLU A 99 -0.841 -11.194 2.593 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.747 -10.852 3.383 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -0.984 -11.906 1.575 1.00 0.00 O ATOM 0 H GLU A 99 3.029 -11.607 2.768 1.00 0.00 H new ATOM 0 HA GLU A 99 2.389 -9.626 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.063 -12.311 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.366 -10.912 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.586 -9.606 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.255 -11.021 2.113 1.00 0.00 H new ATOM 1466 N ALA A 100 2.187 -11.306 6.887 1.00 0.00 N ATOM 1467 CA ALA A 100 2.573 -11.878 8.166 1.00 0.00 C ATOM 1468 C ALA A 100 1.993 -13.288 8.285 1.00 0.00 C ATOM 1469 O ALA A 100 2.499 -14.109 9.050 1.00 0.00 O ATOM 1470 CB ALA A 100 2.108 -10.959 9.298 1.00 0.00 C ATOM 0 H ALA A 100 1.257 -10.888 6.870 1.00 0.00 H new ATOM 0 HA ALA A 100 3.658 -11.960 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.398 -11.388 10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.571 -9.979 9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.024 -10.855 9.260 1.00 0.00 H new ATOM 1476 N SER A 101 0.940 -13.528 7.517 1.00 0.00 N ATOM 1477 CA SER A 101 0.286 -14.825 7.527 1.00 0.00 C ATOM 1478 C SER A 101 1.160 -15.857 6.810 1.00 0.00 C ATOM 1479 O SER A 101 1.016 -17.058 7.032 1.00 0.00 O ATOM 1480 CB SER A 101 -1.094 -14.751 6.872 1.00 0.00 C ATOM 1481 OG SER A 101 -2.073 -14.201 7.749 1.00 0.00 O ATOM 0 H SER A 101 0.524 -12.846 6.884 1.00 0.00 H new ATOM 0 HA SER A 101 0.150 -15.132 8.564 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.034 -14.144 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.403 -15.750 6.564 1.00 0.00 H new ATOM 0 HG SER A 101 -2.940 -14.169 7.293 1.00 0.00 H new ATOM 1487 N GLY A 102 2.045 -15.350 5.965 1.00 0.00 N ATOM 1488 CA GLY A 102 2.942 -16.213 5.215 1.00 0.00 C ATOM 1489 C GLY A 102 2.632 -16.155 3.717 1.00 0.00 C ATOM 1490 O GLY A 102 3.204 -16.910 2.932 1.00 0.00 O ATOM 0 H GLY A 102 2.160 -14.353 5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.974 -15.910 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.847 -17.239 5.570 1.00 0.00 H new ATOM 1494 N ALA A 103 1.729 -15.252 3.367 1.00 0.00 N ATOM 1495 CA ALA A 103 1.336 -15.085 1.978 1.00 0.00 C ATOM 1496 C ALA A 103 2.052 -13.867 1.393 1.00 0.00 C ATOM 1497 O ALA A 103 2.386 -12.931 2.118 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.186 -14.966 1.888 1.00 0.00 C ATOM 0 H ALA A 103 1.258 -14.628 4.021 1.00 0.00 H new ATOM 0 HA ALA A 103 1.630 -15.954 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.480 -14.841 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.646 -15.869 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.518 -14.103 2.465 1.00 0.00 H new ATOM 1504 N PHE A 104 2.267 -13.917 0.086 1.00 0.00 N ATOM 1505 CA PHE A 104 2.937 -12.828 -0.605 1.00 0.00 C ATOM 1506 C PHE A 104 1.935 -11.976 -1.386 1.00 0.00 C ATOM 1507 O PHE A 104 0.836 -12.432 -1.697 1.00 0.00 O ATOM 1508 CB PHE A 104 3.924 -13.463 -1.587 1.00 0.00 C ATOM 1509 CG PHE A 104 5.362 -13.525 -1.070 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.661 -14.284 0.019 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.343 -12.823 -1.699 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.996 -14.342 0.499 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.678 -12.881 -1.219 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.976 -13.640 -0.130 1.00 0.00 C ATOM 0 H PHE A 104 1.989 -14.695 -0.513 1.00 0.00 H new ATOM 0 HA PHE A 104 3.438 -12.182 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.589 -14.473 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.908 -12.898 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.883 -14.842 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.106 -12.221 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.233 -14.944 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.456 -12.323 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.991 -13.685 0.235 1.00 0.00 H new ATOM 1524 N VAL A 105 2.351 -10.753 -1.681 1.00 0.00 N ATOM 1525 CA VAL A 105 1.504 -9.832 -2.420 1.00 0.00 C ATOM 1526 C VAL A 105 2.315 -9.194 -3.549 1.00 0.00 C ATOM 1527 O VAL A 105 3.544 -9.168 -3.497 1.00 0.00 O ATOM 1528 CB VAL A 105 0.893 -8.803 -1.467 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.259 -7.646 -2.242 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.124 -9.459 -0.531 1.00 0.00 C ATOM 0 H VAL A 105 3.264 -10.378 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 105 0.671 -10.364 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 105 1.697 -8.395 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.168 -6.929 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.020 -7.153 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.527 -8.031 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.543 -8.706 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.924 -9.908 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.370 -10.231 0.059 1.00 0.00 H new ATOM 1540 N TYR A 106 1.595 -8.693 -4.542 1.00 0.00 N ATOM 1541 CA TYR A 106 2.233 -8.056 -5.682 1.00 0.00 C ATOM 1542 C TYR A 106 1.423 -6.849 -6.160 1.00 0.00 C ATOM 1543 O TYR A 106 0.205 -6.811 -5.995 1.00 0.00 O ATOM 1544 CB TYR A 106 2.261 -9.109 -6.792 1.00 0.00 C ATOM 1545 CG TYR A 106 2.887 -10.440 -6.372 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.252 -10.622 -6.468 1.00 0.00 C ATOM 1547 CD2 TYR A 106 2.087 -11.459 -5.897 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.841 -11.875 -6.072 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.676 -12.713 -5.502 1.00 0.00 C ATOM 1550 CZ TYR A 106 4.024 -12.858 -5.609 1.00 0.00 C ATOM 1551 OH TYR A 106 4.581 -14.042 -5.235 1.00 0.00 O ATOM 0 H TYR A 106 0.576 -8.715 -4.581 1.00 0.00 H new ATOM 0 HA TYR A 106 3.229 -7.702 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.242 -9.290 -7.132 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.815 -8.711 -7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.878 -9.825 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.019 -11.316 -5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.908 -12.030 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.061 -13.519 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 106 3.878 -14.650 -4.924 1.00 0.00 H new ATOM 1561 N LEU A 107 2.133 -5.894 -6.742 1.00 0.00 N ATOM 1562 CA LEU A 107 1.495 -4.689 -7.245 1.00 0.00 C ATOM 1563 C LEU A 107 1.425 -4.754 -8.772 1.00 0.00 C ATOM 1564 O LEU A 107 2.376 -4.379 -9.457 1.00 0.00 O ATOM 1565 CB LEU A 107 2.209 -3.444 -6.714 1.00 0.00 C ATOM 1566 CG LEU A 107 2.508 -3.431 -5.214 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.596 -4.448 -4.863 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.866 -2.022 -4.738 1.00 0.00 C ATOM 0 H LEU A 107 3.143 -5.930 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 107 0.470 -4.620 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.150 -3.331 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.600 -2.572 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 107 1.604 -3.730 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.789 -4.418 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.264 -5.447 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.510 -4.204 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.074 -2.041 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.748 -1.670 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.031 -1.349 -4.933 1.00 0.00 H new ATOM 1580 N ARG A 108 0.290 -5.231 -9.261 1.00 0.00 N ATOM 1581 CA ARG A 108 0.084 -5.350 -10.694 1.00 0.00 C ATOM 1582 C ARG A 108 -0.287 -3.991 -11.291 1.00 0.00 C ATOM 1583 O ARG A 108 0.238 -3.602 -12.333 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.023 -6.357 -11.010 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.571 -7.785 -10.696 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.417 -8.808 -11.457 1.00 0.00 C ATOM 1587 NE ARG A 108 -0.541 -9.711 -12.236 1.00 0.00 N ATOM 1588 CZ ARG A 108 0.014 -9.389 -13.412 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -0.213 -8.184 -13.953 1.00 0.00 N ATOM 1590 NH2 ARG A 108 0.797 -10.272 -14.048 1.00 0.00 N ATOM 0 H ARG A 108 -0.497 -5.540 -8.690 1.00 0.00 H new ATOM 0 HA ARG A 108 1.016 -5.703 -11.135 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.914 -6.118 -10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.298 -6.282 -12.062 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.479 -7.905 -10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.650 -7.968 -9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.019 -9.387 -10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.109 -8.295 -12.124 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.348 -10.637 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.808 -7.512 -13.469 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.210 -7.939 -14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.970 -11.189 -13.637 1.00 0.00 H new ATOM 0 HH22 ARG A 108 1.219 -10.027 -14.943 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.190 -3.305 -10.605 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.637 -1.998 -11.054 1.00 0.00 C ATOM 1606 C GLN A 109 -2.001 -1.121 -9.855 1.00 0.00 C ATOM 1607 O GLN A 109 -2.499 -1.618 -8.846 1.00 0.00 O ATOM 1608 CB GLN A 109 -2.818 -2.124 -12.019 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.112 -2.434 -11.265 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.732 -3.745 -11.754 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.372 -3.811 -12.790 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.506 -4.782 -10.952 1.00 0.00 N ATOM 0 H GLN A 109 -1.624 -3.630 -9.741 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.818 -1.521 -11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.934 -1.197 -12.581 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.617 -2.913 -12.744 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.907 -2.501 -10.197 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.822 -1.618 -11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.961 -4.658 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.877 -5.702 -11.191 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.732 0.204 -10.009 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.026 1.155 -8.951 1.00 0.00 C ATOM 1623 C PRO A 110 -3.528 1.434 -8.866 1.00 0.00 C ATOM 1624 O PRO A 110 -4.307 0.907 -9.659 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.211 2.391 -9.295 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.857 2.259 -10.767 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.144 0.828 -11.190 1.00 0.00 C ATOM 0 HA PRO A 110 -1.759 0.780 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.783 3.300 -9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.312 2.450 -8.681 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.442 2.958 -11.364 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.193 2.502 -10.930 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.829 0.795 -12.038 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.232 0.315 -11.497 1.00 0.00 H new ATOM 1635 N TYR A 111 -3.890 2.263 -7.898 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.284 2.619 -7.699 1.00 0.00 C ATOM 1637 C TYR A 111 -5.563 4.041 -8.191 1.00 0.00 C ATOM 1638 O TYR A 111 -4.859 4.979 -7.820 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.525 2.558 -6.190 1.00 0.00 C ATOM 1640 CG TYR A 111 -6.964 2.871 -5.775 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.013 2.189 -6.356 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.212 3.836 -4.820 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.368 2.484 -5.967 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.567 4.130 -4.430 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.578 3.440 -5.023 1.00 0.00 C ATOM 1646 OH TYR A 111 -10.857 3.718 -4.654 1.00 0.00 O ATOM 0 H TYR A 111 -3.241 2.699 -7.243 1.00 0.00 H new ATOM 0 HA TYR A 111 -5.935 1.943 -8.253 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.263 1.563 -5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.855 3.262 -5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.818 1.434 -7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.391 4.370 -4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.198 1.958 -6.415 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -8.776 4.882 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.369 2.885 -4.596 1.00 0.00 H new