USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 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 13 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 30:sc= -1.46! USER MOD Set 2.1: A 18 CYS SG : rot -34:sc= -4.3 USER MOD Set 2.2: A 23 MET CE :methyl -174:sc= -14.3! (180deg=-12.3!) USER MOD Single : A 7 TYR OH : rot 165:sc=-0.00917 USER MOD Single : A 11 MET CE :methyl -131:sc= -0.0029 (180deg=-0.00502) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.86 K(o=-4.9,f=-6.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 149:sc= -0.226 (180deg=-0.963) USER MOD Single : A 22 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.71) USER MOD Single : A 26 GLN : amide:sc= -0.953 K(o=-0.95,f=-6!) USER MOD Single : A 27 SER OG : rot 74:sc= 0.204 USER MOD Single : A 33 ASN : amide:sc= -0.71 K(o=-0.71,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.8!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 43 MET CE :methyl 145:sc= -13.4! (180deg=-15.8!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.0144 (180deg=-0.149) USER MOD Single : A 53 GLN : amide:sc= -2.09! C(o=-2.1!,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot -63:sc= 0.957 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.516 USER MOD Single : A 58 GLN : amide:sc= -0.033 X(o=-0.033,f=-0.21) USER MOD Single : A 59 GLN : amide:sc= -7.75! C(o=-7.7!,f=-17!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -116:sc= -11.3! (180deg=-18!) USER MOD Single : A 65 GLN : amide:sc= -0.777 X(o=-0.78,f=-1.1!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -2:sc= 1.02 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.428 F(o=-3,f=-0.43) USER MOD Single : A 74 GLN : amide:sc= -0.391 K(o=-0.39,f=-2.9!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.108 USER MOD Single : A 79 TYR OH : rot 172:sc= -2.19 USER MOD Single : A 89 HIS : no HE2:sc= 0.00136 X(o=0.0014,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 68 N TYR A 7 6.715 6.200 11.294 1.00 0.00 N ATOM 69 CA TYR A 7 6.868 4.994 10.494 1.00 0.00 C ATOM 70 C TYR A 7 6.321 3.781 11.236 1.00 0.00 C ATOM 71 O TYR A 7 5.587 2.972 10.669 1.00 0.00 O ATOM 72 CB TYR A 7 8.340 4.772 10.146 1.00 0.00 C ATOM 73 CG TYR A 7 8.822 5.605 8.980 1.00 0.00 C ATOM 74 CD1 TYR A 7 8.810 6.993 9.042 1.00 0.00 C ATOM 75 CD2 TYR A 7 9.288 5.004 7.817 1.00 0.00 C ATOM 76 CE1 TYR A 7 9.249 7.758 7.978 1.00 0.00 C ATOM 77 CE2 TYR A 7 9.729 5.762 6.750 1.00 0.00 C ATOM 78 CZ TYR A 7 9.708 7.138 6.835 1.00 0.00 C ATOM 79 OH TYR A 7 10.146 7.896 5.774 1.00 0.00 O ATOM 0 HA TYR A 7 6.300 5.122 9.573 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.949 5.000 11.021 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.495 3.718 9.916 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.452 7.482 9.936 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.306 3.926 7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.233 8.836 8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.089 5.279 5.853 1.00 0.00 H new ATOM 0 HH TYR A 7 10.651 7.330 5.154 1.00 0.00 H new ATOM 89 N GLU A 8 6.681 3.663 12.511 1.00 0.00 N ATOM 90 CA GLU A 8 6.224 2.549 13.334 1.00 0.00 C ATOM 91 C GLU A 8 4.701 2.470 13.336 1.00 0.00 C ATOM 92 O GLU A 8 4.126 1.383 13.379 1.00 0.00 O ATOM 93 CB GLU A 8 6.745 2.695 14.765 1.00 0.00 C ATOM 94 CG GLU A 8 8.050 1.956 15.012 1.00 0.00 C ATOM 95 CD GLU A 8 9.228 2.894 15.193 1.00 0.00 C ATOM 96 OE1 GLU A 8 9.163 4.032 14.683 1.00 0.00 O ATOM 97 OE2 GLU A 8 10.214 2.490 15.844 1.00 0.00 O ATOM 0 H GLU A 8 7.287 4.325 12.996 1.00 0.00 H new ATOM 0 HA GLU A 8 6.618 1.626 12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.888 3.753 14.985 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.990 2.324 15.458 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.947 1.333 15.900 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.248 1.287 14.174 1.00 0.00 H new ATOM 104 N LEU A 9 4.053 3.630 13.282 1.00 0.00 N ATOM 105 CA LEU A 9 2.597 3.690 13.269 1.00 0.00 C ATOM 106 C LEU A 9 2.045 2.974 12.041 1.00 0.00 C ATOM 107 O LEU A 9 1.434 1.910 12.152 1.00 0.00 O ATOM 108 CB LEU A 9 2.123 5.144 13.289 1.00 0.00 C ATOM 109 CG LEU A 9 2.671 5.986 14.442 1.00 0.00 C ATOM 110 CD1 LEU A 9 2.094 7.393 14.396 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.363 5.325 15.777 1.00 0.00 C ATOM 0 H LEU A 9 4.513 4.539 13.247 1.00 0.00 H new ATOM 0 HA LEU A 9 2.224 3.188 14.162 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.406 5.616 12.348 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.034 5.155 13.336 1.00 0.00 H new ATOM 0 HG LEU A 9 3.753 6.055 14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.495 7.978 15.224 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.365 7.867 13.452 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.008 7.344 14.479 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.760 5.938 16.586 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.284 5.225 15.893 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.824 4.338 15.809 1.00 0.00 H new ATOM 123 N PHE A 10 2.273 3.557 10.867 1.00 0.00 N ATOM 124 CA PHE A 10 1.804 2.961 9.624 1.00 0.00 C ATOM 125 C PHE A 10 2.404 1.570 9.450 1.00 0.00 C ATOM 126 O PHE A 10 1.732 0.640 9.006 1.00 0.00 O ATOM 127 CB PHE A 10 2.152 3.860 8.428 1.00 0.00 C ATOM 128 CG PHE A 10 3.469 3.543 7.770 1.00 0.00 C ATOM 129 CD1 PHE A 10 3.578 2.481 6.885 1.00 0.00 C ATOM 130 CD2 PHE A 10 4.592 4.309 8.033 1.00 0.00 C ATOM 131 CE1 PHE A 10 4.785 2.189 6.277 1.00 0.00 C ATOM 132 CE2 PHE A 10 5.801 4.021 7.428 1.00 0.00 C ATOM 133 CZ PHE A 10 5.897 2.960 6.549 1.00 0.00 C ATOM 0 H PHE A 10 2.777 4.436 10.753 1.00 0.00 H new ATOM 0 HA PHE A 10 0.719 2.866 9.669 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.359 3.777 7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.168 4.897 8.762 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.711 1.875 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.523 5.141 8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.858 1.359 5.590 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.670 4.625 7.643 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.841 2.734 6.075 1.00 0.00 H new ATOM 143 N MET A 11 3.675 1.439 9.818 1.00 0.00 N ATOM 144 CA MET A 11 4.375 0.164 9.721 1.00 0.00 C ATOM 145 C MET A 11 3.533 -0.949 10.336 1.00 0.00 C ATOM 146 O MET A 11 3.196 -1.926 9.670 1.00 0.00 O ATOM 147 CB MET A 11 5.734 0.251 10.425 1.00 0.00 C ATOM 148 CG MET A 11 6.409 -1.098 10.633 1.00 0.00 C ATOM 149 SD MET A 11 8.152 -1.084 10.173 1.00 0.00 S ATOM 150 CE MET A 11 8.023 -1.059 8.388 1.00 0.00 C ATOM 0 H MET A 11 4.242 2.203 10.187 1.00 0.00 H new ATOM 0 HA MET A 11 4.540 -0.064 8.668 1.00 0.00 H new ATOM 0 HB2 MET A 11 6.395 0.890 9.840 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.600 0.732 11.394 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.316 -1.388 11.680 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.889 -1.854 10.045 1.00 0.00 H new ATOM 0 HE1 MET A 11 8.672 -1.826 7.966 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.992 -1.255 8.095 1.00 0.00 H new ATOM 0 HE3 MET A 11 8.326 -0.081 8.015 1.00 0.00 H new ATOM 160 N LYS A 12 3.188 -0.784 11.611 1.00 0.00 N ATOM 161 CA LYS A 12 2.376 -1.766 12.320 1.00 0.00 C ATOM 162 C LYS A 12 1.157 -2.158 11.491 1.00 0.00 C ATOM 163 O LYS A 12 0.800 -3.333 11.411 1.00 0.00 O ATOM 164 CB LYS A 12 1.931 -1.209 13.674 1.00 0.00 C ATOM 165 CG LYS A 12 3.069 -1.042 14.666 1.00 0.00 C ATOM 166 CD LYS A 12 3.187 -2.246 15.588 1.00 0.00 C ATOM 167 CE LYS A 12 4.639 -2.578 15.892 1.00 0.00 C ATOM 168 NZ LYS A 12 4.988 -2.299 17.312 1.00 0.00 N ATOM 0 H LYS A 12 3.459 0.022 12.174 1.00 0.00 H new ATOM 0 HA LYS A 12 2.984 -2.656 12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.450 -0.243 13.520 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.181 -1.874 14.102 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.006 -0.903 14.126 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.906 -0.142 15.260 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.656 -2.046 16.519 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.705 -3.108 15.126 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.824 -3.630 15.673 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.289 -1.997 15.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.986 -2.539 17.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.836 -1.290 17.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.386 -2.873 17.937 1.00 0.00 H new ATOM 182 N SER A 13 0.528 -1.165 10.869 1.00 0.00 N ATOM 183 CA SER A 13 -0.645 -1.411 10.039 1.00 0.00 C ATOM 184 C SER A 13 -0.295 -2.325 8.868 1.00 0.00 C ATOM 185 O SER A 13 -0.942 -3.350 8.657 1.00 0.00 O ATOM 186 CB SER A 13 -1.221 -0.092 9.524 1.00 0.00 C ATOM 187 OG SER A 13 -2.240 0.391 10.382 1.00 0.00 O ATOM 0 H SER A 13 0.810 -0.186 10.924 1.00 0.00 H new ATOM 0 HA SER A 13 -1.398 -1.907 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.426 0.649 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.623 -0.235 8.521 1.00 0.00 H new ATOM 0 HG SER A 13 -2.479 1.306 10.124 1.00 0.00 H new ATOM 193 N LEU A 14 0.743 -1.957 8.117 1.00 0.00 N ATOM 194 CA LEU A 14 1.185 -2.752 6.980 1.00 0.00 C ATOM 195 C LEU A 14 1.411 -4.208 7.399 1.00 0.00 C ATOM 196 O LEU A 14 0.812 -5.126 6.839 1.00 0.00 O ATOM 197 CB LEU A 14 2.485 -2.158 6.409 1.00 0.00 C ATOM 198 CG LEU A 14 3.392 -3.121 5.638 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.262 -3.927 6.585 1.00 0.00 C ATOM 200 CD2 LEU A 14 2.579 -4.043 4.752 1.00 0.00 C ATOM 0 H LEU A 14 1.291 -1.112 8.279 1.00 0.00 H new ATOM 0 HA LEU A 14 0.411 -2.731 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.222 -1.333 5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.058 -1.735 7.234 1.00 0.00 H new ATOM 0 HG LEU A 14 4.044 -2.522 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.896 -4.603 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.887 -3.251 7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.629 -4.507 7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.248 -4.716 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.893 -4.626 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.010 -3.451 4.035 1.00 0.00 H new ATOM 212 N ILE A 15 2.299 -4.410 8.371 1.00 0.00 N ATOM 213 CA ILE A 15 2.623 -5.758 8.840 1.00 0.00 C ATOM 214 C ILE A 15 1.372 -6.533 9.219 1.00 0.00 C ATOM 215 O ILE A 15 1.145 -7.639 8.731 1.00 0.00 O ATOM 216 CB ILE A 15 3.603 -5.773 10.043 1.00 0.00 C ATOM 217 CG1 ILE A 15 3.861 -4.366 10.587 1.00 0.00 C ATOM 218 CG2 ILE A 15 4.911 -6.428 9.636 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.673 -4.353 11.864 1.00 0.00 C ATOM 0 H ILE A 15 2.805 -3.663 8.847 1.00 0.00 H new ATOM 0 HA ILE A 15 3.118 -6.239 7.996 1.00 0.00 H new ATOM 0 HB ILE A 15 3.140 -6.351 10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.382 -3.781 9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.905 -3.874 10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.594 -6.435 10.485 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.721 -7.452 9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.359 -5.868 8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.818 -3.324 12.193 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.144 -4.910 12.637 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.643 -4.816 11.683 1.00 0.00 H new ATOM 231 N GLU A 16 0.559 -5.949 10.088 1.00 0.00 N ATOM 232 CA GLU A 16 -0.670 -6.582 10.526 1.00 0.00 C ATOM 233 C GLU A 16 -1.396 -7.225 9.349 1.00 0.00 C ATOM 234 O GLU A 16 -1.988 -8.296 9.477 1.00 0.00 O ATOM 235 CB GLU A 16 -1.560 -5.542 11.197 1.00 0.00 C ATOM 236 CG GLU A 16 -2.280 -6.064 12.424 1.00 0.00 C ATOM 237 CD GLU A 16 -3.686 -6.540 12.118 1.00 0.00 C ATOM 238 OE1 GLU A 16 -4.514 -5.710 11.687 1.00 0.00 O ATOM 239 OE2 GLU A 16 -3.960 -7.744 12.308 1.00 0.00 O ATOM 0 H GLU A 16 0.732 -5.034 10.503 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.430 -7.369 11.241 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.952 -4.683 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.297 -5.187 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.708 -6.886 12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.323 -5.277 13.177 1.00 0.00 H new ATOM 246 N ASN A 17 -1.329 -6.568 8.195 1.00 0.00 N ATOM 247 CA ASN A 17 -1.969 -7.081 6.996 1.00 0.00 C ATOM 248 C ASN A 17 -1.167 -8.233 6.399 1.00 0.00 C ATOM 249 O ASN A 17 -1.712 -9.300 6.122 1.00 0.00 O ATOM 250 CB ASN A 17 -2.140 -5.987 5.946 1.00 0.00 C ATOM 251 CG ASN A 17 -2.217 -4.592 6.539 1.00 0.00 C ATOM 252 OD1 ASN A 17 -1.569 -3.663 6.058 1.00 0.00 O ATOM 253 ND2 ASN A 17 -3.016 -4.439 7.589 1.00 0.00 N ATOM 0 H ASN A 17 -0.839 -5.682 8.068 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.954 -7.444 7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.305 -6.031 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.047 -6.181 5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.110 -3.524 8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.535 -5.237 7.955 1.00 0.00 H new ATOM 260 N CYS A 18 0.135 -8.030 6.206 1.00 0.00 N ATOM 261 CA CYS A 18 0.974 -9.085 5.648 1.00 0.00 C ATOM 262 C CYS A 18 0.791 -10.367 6.449 1.00 0.00 C ATOM 263 O CYS A 18 0.675 -11.453 5.890 1.00 0.00 O ATOM 264 CB CYS A 18 2.450 -8.664 5.612 1.00 0.00 C ATOM 265 SG CYS A 18 3.291 -8.690 7.214 1.00 0.00 S ATOM 0 H CYS A 18 0.623 -7.161 6.423 1.00 0.00 H new ATOM 0 HA CYS A 18 0.665 -9.266 4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.984 -9.323 4.927 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.515 -7.657 5.200 1.00 0.00 H new ATOM 0 HG CYS A 18 2.453 -8.356 8.150 1.00 0.00 H new ATOM 271 N LYS A 19 0.736 -10.231 7.764 1.00 0.00 N ATOM 272 CA LYS A 19 0.537 -11.380 8.630 1.00 0.00 C ATOM 273 C LYS A 19 -0.906 -11.868 8.544 1.00 0.00 C ATOM 274 O LYS A 19 -1.212 -12.995 8.935 1.00 0.00 O ATOM 275 CB LYS A 19 0.888 -11.028 10.077 1.00 0.00 C ATOM 276 CG LYS A 19 1.306 -12.229 10.910 1.00 0.00 C ATOM 277 CD LYS A 19 2.559 -11.939 11.722 1.00 0.00 C ATOM 278 CE LYS A 19 3.811 -12.022 10.863 1.00 0.00 C ATOM 279 NZ LYS A 19 4.305 -13.421 10.733 1.00 0.00 N ATOM 0 H LYS A 19 0.826 -9.340 8.253 1.00 0.00 H new ATOM 0 HA LYS A 19 1.198 -12.180 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.696 -10.296 10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.026 -10.553 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.493 -12.508 11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.485 -13.082 10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.485 -10.946 12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.633 -12.650 12.545 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.599 -11.619 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.593 -11.400 11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.159 -13.434 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.532 -13.798 11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.569 -14.009 10.293 1.00 0.00 H new ATOM 293 N LYS A 20 -1.797 -11.011 8.043 1.00 0.00 N ATOM 294 CA LYS A 20 -3.204 -11.369 7.929 1.00 0.00 C ATOM 295 C LYS A 20 -3.487 -12.214 6.692 1.00 0.00 C ATOM 296 O LYS A 20 -4.254 -13.175 6.756 1.00 0.00 O ATOM 297 CB LYS A 20 -4.098 -10.112 7.963 1.00 0.00 C ATOM 298 CG LYS A 20 -4.380 -9.469 6.601 1.00 0.00 C ATOM 299 CD LYS A 20 -5.717 -8.746 6.603 1.00 0.00 C ATOM 300 CE LYS A 20 -6.445 -8.915 5.279 1.00 0.00 C ATOM 301 NZ LYS A 20 -6.690 -10.349 4.958 1.00 0.00 N ATOM 0 H LYS A 20 -1.568 -10.073 7.713 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.449 -11.985 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.049 -10.376 8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.626 -9.369 8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.584 -8.766 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.379 -10.236 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.338 -9.130 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.558 -7.686 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.396 -8.384 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.858 -8.460 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.568 -10.436 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.894 -10.721 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.779 -10.892 5.841 1.00 0.00 H new ATOM 315 N ARG A 21 -2.869 -11.869 5.571 1.00 0.00 N ATOM 316 CA ARG A 21 -3.073 -12.624 4.342 1.00 0.00 C ATOM 317 C ARG A 21 -2.111 -13.810 4.276 1.00 0.00 C ATOM 318 O ARG A 21 -1.818 -14.329 3.202 1.00 0.00 O ATOM 319 CB ARG A 21 -2.892 -11.720 3.120 1.00 0.00 C ATOM 320 CG ARG A 21 -3.472 -12.302 1.841 1.00 0.00 C ATOM 321 CD ARG A 21 -2.399 -12.968 0.994 1.00 0.00 C ATOM 322 NE ARG A 21 -2.759 -14.336 0.630 1.00 0.00 N ATOM 323 CZ ARG A 21 -1.981 -15.140 -0.092 1.00 0.00 C ATOM 324 NH1 ARG A 21 -0.802 -14.718 -0.529 1.00 0.00 N ATOM 325 NH2 ARG A 21 -2.385 -16.371 -0.377 1.00 0.00 N ATOM 0 H ARG A 21 -2.229 -11.080 5.486 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.094 -13.007 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.363 -10.757 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.829 -11.530 2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.245 -13.030 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.952 -11.511 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.237 -12.383 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.457 -12.975 1.542 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.659 -14.696 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.486 -13.773 -0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.211 -15.339 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.291 -16.701 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.790 -16.988 -0.930 1.00 0.00 H new ATOM 339 N ASN A 22 -1.624 -14.234 5.439 1.00 0.00 N ATOM 340 CA ASN A 22 -0.700 -15.349 5.524 1.00 0.00 C ATOM 341 C ASN A 22 0.613 -15.003 4.851 1.00 0.00 C ATOM 342 O ASN A 22 1.209 -15.816 4.145 1.00 0.00 O ATOM 343 CB ASN A 22 -1.317 -16.603 4.912 1.00 0.00 C ATOM 344 CG ASN A 22 -0.392 -17.803 4.968 1.00 0.00 C ATOM 345 OD1 ASN A 22 -0.063 -18.299 6.045 1.00 0.00 O ATOM 346 ND2 ASN A 22 0.034 -18.277 3.802 1.00 0.00 N ATOM 0 H ASN A 22 -1.859 -13.815 6.339 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.496 -15.553 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.243 -16.839 5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.581 -16.402 3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.659 -19.083 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.264 -17.835 2.932 1.00 0.00 H new ATOM 353 N MET A 23 1.062 -13.785 5.099 1.00 0.00 N ATOM 354 CA MET A 23 2.322 -13.309 4.544 1.00 0.00 C ATOM 355 C MET A 23 2.303 -13.260 3.022 1.00 0.00 C ATOM 356 O MET A 23 2.969 -14.051 2.352 1.00 0.00 O ATOM 357 CB MET A 23 3.474 -14.187 5.026 1.00 0.00 C ATOM 358 CG MET A 23 4.764 -13.425 5.278 1.00 0.00 C ATOM 359 SD MET A 23 4.821 -12.697 6.925 1.00 0.00 S ATOM 360 CE MET A 23 3.276 -11.794 6.938 1.00 0.00 C ATOM 0 H MET A 23 0.574 -13.105 5.682 1.00 0.00 H new ATOM 0 HA MET A 23 2.466 -12.289 4.899 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.175 -14.690 5.946 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.661 -14.964 4.284 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.611 -14.099 5.152 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.869 -12.638 4.532 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.209 -11.200 7.850 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.233 -11.134 6.071 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.444 -12.497 6.901 1.00 0.00 H new ATOM 370 N PRO A 24 1.556 -12.303 2.459 1.00 0.00 N ATOM 371 CA PRO A 24 1.461 -12.109 1.009 1.00 0.00 C ATOM 372 C PRO A 24 2.770 -11.609 0.402 1.00 0.00 C ATOM 373 O PRO A 24 2.758 -10.853 -0.569 1.00 0.00 O ATOM 374 CB PRO A 24 0.385 -11.029 0.865 1.00 0.00 C ATOM 375 CG PRO A 24 0.412 -10.296 2.161 1.00 0.00 C ATOM 376 CD PRO A 24 0.755 -11.323 3.202 1.00 0.00 C ATOM 0 HA PRO A 24 1.234 -13.042 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.601 -10.364 0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.595 -11.468 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.151 -9.495 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.553 -9.834 2.370 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.318 -10.887 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.139 -11.776 3.630 1.00 0.00 H new ATOM 384 N LEU A 25 3.896 -12.018 0.980 1.00 0.00 N ATOM 385 CA LEU A 25 5.198 -11.589 0.490 1.00 0.00 C ATOM 386 C LEU A 25 6.271 -12.642 0.758 1.00 0.00 C ATOM 387 O LEU A 25 7.112 -12.915 -0.098 1.00 0.00 O ATOM 388 CB LEU A 25 5.600 -10.257 1.140 1.00 0.00 C ATOM 389 CG LEU A 25 5.125 -10.051 2.588 1.00 0.00 C ATOM 390 CD1 LEU A 25 6.222 -10.426 3.572 1.00 0.00 C ATOM 391 CD2 LEU A 25 4.686 -8.608 2.811 1.00 0.00 C ATOM 0 H LEU A 25 3.931 -12.643 1.785 1.00 0.00 H new ATOM 0 HA LEU A 25 5.117 -11.454 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.687 -10.177 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.209 -9.443 0.530 1.00 0.00 H new ATOM 0 HG LEU A 25 4.269 -10.704 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.865 -10.273 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.491 -11.473 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.097 -9.801 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.354 -8.484 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.524 -7.939 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.866 -8.368 2.134 1.00 0.00 H new ATOM 403 N GLN A 26 6.248 -13.216 1.957 1.00 0.00 N ATOM 404 CA GLN A 26 7.235 -14.224 2.345 1.00 0.00 C ATOM 405 C GLN A 26 8.622 -13.591 2.457 1.00 0.00 C ATOM 406 O GLN A 26 9.634 -14.286 2.548 1.00 0.00 O ATOM 407 CB GLN A 26 7.258 -15.370 1.330 1.00 0.00 C ATOM 408 CG GLN A 26 6.720 -16.680 1.881 1.00 0.00 C ATOM 409 CD GLN A 26 7.562 -17.224 3.019 1.00 0.00 C ATOM 410 OE1 GLN A 26 8.276 -16.478 3.689 1.00 0.00 O ATOM 411 NE2 GLN A 26 7.483 -18.530 3.242 1.00 0.00 N ATOM 0 H GLN A 26 5.558 -13.002 2.678 1.00 0.00 H new ATOM 0 HA GLN A 26 6.953 -14.627 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.671 -15.084 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.282 -15.522 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.698 -16.531 2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.679 -17.418 1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.878 -19.111 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.027 -18.953 3.994 1.00 0.00 H new ATOM 420 N SER A 27 8.646 -12.262 2.437 1.00 0.00 N ATOM 421 CA SER A 27 9.874 -11.484 2.521 1.00 0.00 C ATOM 422 C SER A 27 9.577 -10.053 2.097 1.00 0.00 C ATOM 423 O SER A 27 8.843 -9.833 1.136 1.00 0.00 O ATOM 424 CB SER A 27 10.953 -12.086 1.621 1.00 0.00 C ATOM 425 OG SER A 27 11.977 -12.698 2.387 1.00 0.00 O ATOM 0 H SER A 27 7.804 -11.691 2.361 1.00 0.00 H new ATOM 0 HA SER A 27 10.243 -11.498 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.505 -12.822 0.954 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.382 -11.306 0.992 1.00 0.00 H new ATOM 0 HG SER A 27 11.644 -13.538 2.766 1.00 0.00 H new ATOM 431 N ILE A 28 10.131 -9.079 2.808 1.00 0.00 N ATOM 432 CA ILE A 28 9.890 -7.688 2.476 1.00 0.00 C ATOM 433 C ILE A 28 10.762 -7.263 1.304 1.00 0.00 C ATOM 434 O ILE A 28 11.979 -7.164 1.446 1.00 0.00 O ATOM 435 CB ILE A 28 10.173 -6.730 3.660 1.00 0.00 C ATOM 436 CG1 ILE A 28 10.458 -7.480 4.961 1.00 0.00 C ATOM 437 CG2 ILE A 28 9.015 -5.763 3.852 1.00 0.00 C ATOM 438 CD1 ILE A 28 9.356 -8.432 5.379 1.00 0.00 C ATOM 0 H ILE A 28 10.744 -9.228 3.610 1.00 0.00 H new ATOM 0 HA ILE A 28 8.833 -7.618 2.220 1.00 0.00 H new ATOM 0 HB ILE A 28 11.072 -6.168 3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.386 -8.041 4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.619 -6.755 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.231 -5.098 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.879 -5.174 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.104 -6.323 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.635 -8.925 6.311 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.430 -7.875 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.209 -9.182 4.602 1.00 0.00 H new ATOM 450 N PRO A 29 10.161 -6.989 0.132 1.00 0.00 N ATOM 451 CA PRO A 29 10.919 -6.555 -1.043 1.00 0.00 C ATOM 452 C PRO A 29 11.805 -5.366 -0.702 1.00 0.00 C ATOM 453 O PRO A 29 11.412 -4.213 -0.874 1.00 0.00 O ATOM 454 CB PRO A 29 9.829 -6.155 -2.041 1.00 0.00 C ATOM 455 CG PRO A 29 8.644 -6.959 -1.638 1.00 0.00 C ATOM 456 CD PRO A 29 8.714 -7.059 -0.140 1.00 0.00 C ATOM 0 HA PRO A 29 11.587 -7.325 -1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.619 -5.086 -1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.128 -6.375 -3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.718 -6.479 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.666 -7.947 -2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.173 -6.246 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.280 -7.991 0.223 1.00 0.00 H new ATOM 464 N GLU A 30 12.992 -5.656 -0.186 1.00 0.00 N ATOM 465 CA GLU A 30 13.926 -4.616 0.215 1.00 0.00 C ATOM 466 C GLU A 30 14.528 -3.901 -0.999 1.00 0.00 C ATOM 467 O GLU A 30 15.749 -3.844 -1.149 1.00 0.00 O ATOM 468 CB GLU A 30 15.045 -5.219 1.068 1.00 0.00 C ATOM 469 CG GLU A 30 14.570 -5.735 2.416 1.00 0.00 C ATOM 470 CD GLU A 30 15.640 -5.641 3.486 1.00 0.00 C ATOM 471 OE1 GLU A 30 16.796 -6.022 3.204 1.00 0.00 O ATOM 472 OE2 GLU A 30 15.323 -5.186 4.605 1.00 0.00 O ATOM 0 H GLU A 30 13.330 -6.606 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 30 13.374 -3.880 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.509 -6.037 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 30 15.816 -4.465 1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.695 -5.166 2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.255 -6.773 2.313 1.00 0.00 H new ATOM 479 N ILE A 31 13.674 -3.352 -1.864 1.00 0.00 N ATOM 480 CA ILE A 31 14.154 -2.644 -3.051 1.00 0.00 C ATOM 481 C ILE A 31 14.689 -1.266 -2.682 1.00 0.00 C ATOM 482 O ILE A 31 14.133 -0.578 -1.826 1.00 0.00 O ATOM 483 CB ILE A 31 13.062 -2.468 -4.134 1.00 0.00 C ATOM 484 CG1 ILE A 31 11.683 -2.250 -3.493 1.00 0.00 C ATOM 485 CG2 ILE A 31 13.052 -3.652 -5.098 1.00 0.00 C ATOM 486 CD1 ILE A 31 10.829 -3.496 -3.407 1.00 0.00 C ATOM 0 H ILE A 31 12.659 -3.383 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 31 14.949 -3.266 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 31 13.299 -1.576 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.822 -1.850 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.145 -1.495 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.276 -3.503 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 31 14.022 -3.729 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.851 -4.570 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.874 -3.251 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.655 -3.888 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.342 -4.248 -2.808 1.00 0.00 H new ATOM 498 N GLY A 32 15.773 -0.870 -3.337 1.00 0.00 N ATOM 499 CA GLY A 32 16.375 0.423 -3.076 1.00 0.00 C ATOM 500 C GLY A 32 17.727 0.305 -2.407 1.00 0.00 C ATOM 501 O GLY A 32 18.759 0.596 -3.012 1.00 0.00 O ATOM 0 H GLY A 32 16.248 -1.425 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.483 0.967 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.709 1.010 -2.443 1.00 0.00 H new ATOM 505 N ASN A 33 17.715 -0.122 -1.151 1.00 0.00 N ATOM 506 CA ASN A 33 18.941 -0.284 -0.375 1.00 0.00 C ATOM 507 C ASN A 33 18.620 -0.527 1.096 1.00 0.00 C ATOM 508 O ASN A 33 18.708 -1.652 1.588 1.00 0.00 O ATOM 509 CB ASN A 33 19.828 0.956 -0.517 1.00 0.00 C ATOM 510 CG ASN A 33 21.072 0.686 -1.341 1.00 0.00 C ATOM 511 OD1 ASN A 33 21.646 -0.401 -1.281 1.00 0.00 O ATOM 512 ND2 ASN A 33 21.494 1.678 -2.116 1.00 0.00 N ATOM 0 H ASN A 33 16.864 -0.364 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 33 19.477 -1.151 -0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.255 1.758 -0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 33 20.120 1.306 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 33 22.326 1.556 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 33 20.986 2.563 -2.134 1.00 0.00 H new ATOM 519 N ARG A 34 18.246 0.541 1.789 1.00 0.00 N ATOM 520 CA ARG A 34 17.907 0.460 3.207 1.00 0.00 C ATOM 521 C ARG A 34 16.533 -0.177 3.399 1.00 0.00 C ATOM 522 O ARG A 34 15.940 -0.683 2.447 1.00 0.00 O ATOM 523 CB ARG A 34 17.940 1.855 3.845 1.00 0.00 C ATOM 524 CG ARG A 34 17.088 2.889 3.122 1.00 0.00 C ATOM 525 CD ARG A 34 15.612 2.727 3.446 1.00 0.00 C ATOM 526 NE ARG A 34 14.974 4.009 3.748 1.00 0.00 N ATOM 527 CZ ARG A 34 14.405 4.308 4.916 1.00 0.00 C ATOM 528 NH1 ARG A 34 14.389 3.426 5.909 1.00 0.00 N ATOM 529 NH2 ARG A 34 13.850 5.499 5.092 1.00 0.00 N ATOM 0 H ARG A 34 18.169 1.477 1.392 1.00 0.00 H new ATOM 0 HA ARG A 34 18.649 -0.168 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.601 1.779 4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.972 2.206 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.414 3.890 3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 34 17.237 2.795 2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.105 2.259 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.499 2.056 4.298 1.00 0.00 H new ATOM 0 HE ARG A 34 14.964 4.720 3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.815 2.508 5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.951 3.667 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.859 6.183 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.414 5.732 5.984 1.00 0.00 H new ATOM 543 N LYS A 35 16.033 -0.152 4.636 1.00 0.00 N ATOM 544 CA LYS A 35 14.726 -0.729 4.955 1.00 0.00 C ATOM 545 C LYS A 35 13.700 -0.403 3.873 1.00 0.00 C ATOM 546 O LYS A 35 13.811 0.612 3.187 1.00 0.00 O ATOM 547 CB LYS A 35 14.236 -0.214 6.310 1.00 0.00 C ATOM 548 CG LYS A 35 13.182 -1.101 6.952 1.00 0.00 C ATOM 549 CD LYS A 35 13.330 -1.134 8.464 1.00 0.00 C ATOM 550 CE LYS A 35 12.818 -2.443 9.045 1.00 0.00 C ATOM 551 NZ LYS A 35 12.853 -2.441 10.533 1.00 0.00 N ATOM 0 H LYS A 35 16.514 0.262 5.434 1.00 0.00 H new ATOM 0 HA LYS A 35 14.840 -1.812 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.087 -0.127 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.827 0.788 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.189 -0.736 6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.265 -2.113 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.378 -1.001 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.781 -0.301 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.797 -2.616 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.422 -3.268 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.496 -3.350 10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.831 -2.302 10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.256 -1.669 10.893 1.00 0.00 H new ATOM 565 N ILE A 36 12.709 -1.274 3.716 1.00 0.00 N ATOM 566 CA ILE A 36 11.680 -1.081 2.710 1.00 0.00 C ATOM 567 C ILE A 36 11.013 0.287 2.835 1.00 0.00 C ATOM 568 O ILE A 36 10.736 0.762 3.936 1.00 0.00 O ATOM 569 CB ILE A 36 10.608 -2.187 2.784 1.00 0.00 C ATOM 570 CG1 ILE A 36 10.060 -2.347 4.210 1.00 0.00 C ATOM 571 CG2 ILE A 36 11.182 -3.504 2.287 1.00 0.00 C ATOM 572 CD1 ILE A 36 9.135 -1.231 4.639 1.00 0.00 C ATOM 0 H ILE A 36 12.600 -2.120 4.275 1.00 0.00 H new ATOM 0 HA ILE A 36 12.178 -1.135 1.742 1.00 0.00 H new ATOM 0 HB ILE A 36 9.778 -1.893 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.526 -3.295 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.897 -2.400 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.417 -4.279 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.509 -3.391 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.032 -3.788 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.790 -1.415 5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.669 -0.282 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.278 -1.190 3.967 1.00 0.00 H new ATOM 584 N ASN A 37 10.755 0.909 1.689 1.00 0.00 N ATOM 585 CA ASN A 37 10.111 2.216 1.649 1.00 0.00 C ATOM 586 C ASN A 37 8.666 2.061 1.190 1.00 0.00 C ATOM 587 O ASN A 37 8.195 2.777 0.307 1.00 0.00 O ATOM 588 CB ASN A 37 10.874 3.159 0.713 1.00 0.00 C ATOM 589 CG ASN A 37 11.640 4.228 1.468 1.00 0.00 C ATOM 590 OD1 ASN A 37 11.699 4.215 2.697 1.00 0.00 O ATOM 591 ND2 ASN A 37 12.231 5.163 0.732 1.00 0.00 N ATOM 0 H ASN A 37 10.984 0.526 0.772 1.00 0.00 H new ATOM 0 HA ASN A 37 10.120 2.649 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.568 2.579 0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.171 3.634 0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.760 5.909 1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.156 5.135 -0.285 1.00 0.00 H new ATOM 598 N LEU A 38 7.979 1.097 1.795 1.00 0.00 N ATOM 599 CA LEU A 38 6.588 0.791 1.470 1.00 0.00 C ATOM 600 C LEU A 38 5.766 2.046 1.179 1.00 0.00 C ATOM 601 O LEU A 38 5.574 2.418 0.023 1.00 0.00 O ATOM 602 CB LEU A 38 5.946 0.000 2.617 1.00 0.00 C ATOM 603 CG LEU A 38 5.838 -1.508 2.387 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.205 -1.795 1.037 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.209 -2.159 2.481 1.00 0.00 C ATOM 0 H LEU A 38 8.371 0.504 2.526 1.00 0.00 H new ATOM 0 HA LEU A 38 6.593 0.190 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.525 0.172 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.947 0.397 2.796 1.00 0.00 H new ATOM 0 HG LEU A 38 5.201 -1.931 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.136 -2.873 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.206 -1.359 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.818 -1.359 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.114 -3.232 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.867 -1.731 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.629 -1.981 3.471 1.00 0.00 H new ATOM 617 N PHE A 39 5.264 2.681 2.232 1.00 0.00 N ATOM 618 CA PHE A 39 4.439 3.874 2.088 1.00 0.00 C ATOM 619 C PHE A 39 5.022 4.871 1.086 1.00 0.00 C ATOM 620 O PHE A 39 4.285 5.637 0.476 1.00 0.00 O ATOM 621 CB PHE A 39 4.230 4.540 3.450 1.00 0.00 C ATOM 622 CG PHE A 39 2.898 4.224 4.080 1.00 0.00 C ATOM 623 CD1 PHE A 39 2.306 2.974 3.919 1.00 0.00 C ATOM 624 CD2 PHE A 39 2.237 5.179 4.833 1.00 0.00 C ATOM 625 CE1 PHE A 39 1.080 2.691 4.501 1.00 0.00 C ATOM 626 CE2 PHE A 39 1.015 4.901 5.415 1.00 0.00 C ATOM 627 CZ PHE A 39 0.437 3.659 5.249 1.00 0.00 C ATOM 0 H PHE A 39 5.415 2.388 3.197 1.00 0.00 H new ATOM 0 HA PHE A 39 3.475 3.555 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.025 4.224 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.320 5.620 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.807 2.217 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.682 6.154 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.629 1.718 4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.512 5.656 6.000 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.518 3.443 5.704 1.00 0.00 H new ATOM 637 N TYR A 40 6.335 4.859 0.903 1.00 0.00 N ATOM 638 CA TYR A 40 6.966 5.773 -0.044 1.00 0.00 C ATOM 639 C TYR A 40 6.483 5.489 -1.469 1.00 0.00 C ATOM 640 O TYR A 40 5.562 6.144 -1.972 1.00 0.00 O ATOM 641 CB TYR A 40 8.489 5.662 0.039 1.00 0.00 C ATOM 642 CG TYR A 40 9.161 6.914 0.555 1.00 0.00 C ATOM 643 CD1 TYR A 40 9.565 7.918 -0.315 1.00 0.00 C ATOM 644 CD2 TYR A 40 9.391 7.092 1.914 1.00 0.00 C ATOM 645 CE1 TYR A 40 10.180 9.064 0.153 1.00 0.00 C ATOM 646 CE2 TYR A 40 10.004 8.235 2.390 1.00 0.00 C ATOM 647 CZ TYR A 40 10.397 9.218 1.506 1.00 0.00 C ATOM 648 OH TYR A 40 11.009 10.357 1.976 1.00 0.00 O ATOM 0 H TYR A 40 6.979 4.236 1.390 1.00 0.00 H new ATOM 0 HA TYR A 40 6.680 6.792 0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.749 4.826 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.882 5.430 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.396 7.801 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.086 6.324 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.489 9.835 -0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.175 8.358 3.449 1.00 0.00 H new ATOM 0 HH TYR A 40 11.085 10.308 2.952 1.00 0.00 H new ATOM 658 N LEU A 41 7.090 4.498 -2.120 1.00 0.00 N ATOM 659 CA LEU A 41 6.695 4.138 -3.478 1.00 0.00 C ATOM 660 C LEU A 41 5.187 3.968 -3.561 1.00 0.00 C ATOM 661 O LEU A 41 4.574 4.177 -4.611 1.00 0.00 O ATOM 662 CB LEU A 41 7.400 2.864 -3.927 1.00 0.00 C ATOM 663 CG LEU A 41 6.740 1.548 -3.508 1.00 0.00 C ATOM 664 CD1 LEU A 41 7.204 0.447 -4.444 1.00 0.00 C ATOM 665 CD2 LEU A 41 7.113 1.216 -2.069 1.00 0.00 C ATOM 0 H LEU A 41 7.849 3.936 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 41 6.993 4.945 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.477 2.879 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.417 2.878 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 41 5.656 1.640 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.740 -0.496 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.918 0.694 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.288 0.351 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.640 0.278 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.195 1.117 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.771 2.015 -1.411 1.00 0.00 H new ATOM 677 N TYR A 42 4.582 3.613 -2.446 1.00 0.00 N ATOM 678 CA TYR A 42 3.154 3.463 -2.420 1.00 0.00 C ATOM 679 C TYR A 42 2.524 4.856 -2.490 1.00 0.00 C ATOM 680 O TYR A 42 1.620 5.108 -3.281 1.00 0.00 O ATOM 681 CB TYR A 42 2.718 2.669 -1.182 1.00 0.00 C ATOM 682 CG TYR A 42 1.417 3.131 -0.548 1.00 0.00 C ATOM 683 CD1 TYR A 42 0.395 3.619 -1.338 1.00 0.00 C ATOM 684 CD2 TYR A 42 1.211 3.086 0.825 1.00 0.00 C ATOM 685 CE1 TYR A 42 -0.787 4.054 -0.808 1.00 0.00 C ATOM 686 CE2 TYR A 42 0.019 3.522 1.378 1.00 0.00 C ATOM 687 CZ TYR A 42 -0.978 4.009 0.555 1.00 0.00 C ATOM 688 OH TYR A 42 -2.165 4.445 1.097 1.00 0.00 O ATOM 0 H TYR A 42 5.054 3.427 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 42 2.809 2.888 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.617 1.620 -1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.509 2.727 -0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.534 3.658 -2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.990 2.706 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.566 4.431 -1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.131 3.482 2.447 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.136 4.344 2.071 1.00 0.00 H new ATOM 698 N MET A 43 3.034 5.783 -1.695 1.00 0.00 N ATOM 699 CA MET A 43 2.525 7.152 -1.725 1.00 0.00 C ATOM 700 C MET A 43 2.380 7.625 -3.172 1.00 0.00 C ATOM 701 O MET A 43 1.575 8.506 -3.471 1.00 0.00 O ATOM 702 CB MET A 43 3.444 8.100 -0.942 1.00 0.00 C ATOM 703 CG MET A 43 3.122 8.246 0.550 1.00 0.00 C ATOM 704 SD MET A 43 1.382 7.985 0.968 1.00 0.00 S ATOM 705 CE MET A 43 1.254 6.206 0.784 1.00 0.00 C ATOM 0 H MET A 43 3.789 5.620 -1.029 1.00 0.00 H new ATOM 0 HA MET A 43 1.545 7.164 -1.247 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.471 7.748 -1.042 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.399 9.086 -1.404 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.728 7.535 1.111 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.416 9.244 0.877 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.561 5.812 1.528 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.887 5.969 -0.215 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.235 5.754 0.927 1.00 0.00 H new ATOM 715 N LEU A 44 3.156 7.015 -4.068 1.00 0.00 N ATOM 716 CA LEU A 44 3.096 7.356 -5.489 1.00 0.00 C ATOM 717 C LEU A 44 1.987 6.585 -6.197 1.00 0.00 C ATOM 718 O LEU A 44 1.339 7.115 -7.099 1.00 0.00 O ATOM 719 CB LEU A 44 4.421 7.072 -6.194 1.00 0.00 C ATOM 720 CG LEU A 44 5.580 6.663 -5.296 1.00 0.00 C ATOM 721 CD1 LEU A 44 6.813 6.342 -6.125 1.00 0.00 C ATOM 722 CD2 LEU A 44 5.882 7.751 -4.274 1.00 0.00 C ATOM 0 H LEU A 44 3.830 6.286 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 44 2.887 8.424 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.258 6.281 -6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.714 7.964 -6.748 1.00 0.00 H new ATOM 0 HG LEU A 44 5.291 5.762 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.630 6.052 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.589 5.522 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.105 7.222 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.714 7.437 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.147 8.673 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.002 7.923 -3.655 1.00 0.00 H new ATOM 734 N VAL A 45 1.759 5.334 -5.788 1.00 0.00 N ATOM 735 CA VAL A 45 0.704 4.528 -6.413 1.00 0.00 C ATOM 736 C VAL A 45 -0.620 5.264 -6.315 1.00 0.00 C ATOM 737 O VAL A 45 -1.544 5.021 -7.092 1.00 0.00 O ATOM 738 CB VAL A 45 0.548 3.120 -5.789 1.00 0.00 C ATOM 739 CG1 VAL A 45 0.551 3.176 -4.296 1.00 0.00 C ATOM 740 CG2 VAL A 45 -0.727 2.462 -6.263 1.00 0.00 C ATOM 0 H VAL A 45 2.276 4.865 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 45 0.999 4.383 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 45 1.404 2.529 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.439 2.169 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.492 3.603 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.277 3.797 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.816 1.474 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.582 3.072 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.704 2.365 -7.348 1.00 0.00 H new ATOM 750 N GLN A 46 -0.687 6.179 -5.354 1.00 0.00 N ATOM 751 CA GLN A 46 -1.880 6.994 -5.131 1.00 0.00 C ATOM 752 C GLN A 46 -2.500 7.416 -6.460 1.00 0.00 C ATOM 753 O GLN A 46 -3.717 7.571 -6.563 1.00 0.00 O ATOM 754 CB GLN A 46 -1.535 8.231 -4.297 1.00 0.00 C ATOM 755 CG GLN A 46 -2.273 8.296 -2.971 1.00 0.00 C ATOM 756 CD GLN A 46 -2.249 9.683 -2.359 1.00 0.00 C ATOM 757 OE1 GLN A 46 -3.124 10.507 -2.625 1.00 0.00 O ATOM 758 NE2 GLN A 46 -1.243 9.948 -1.533 1.00 0.00 N ATOM 0 H GLN A 46 0.079 6.377 -4.710 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.606 6.392 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.462 8.243 -4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.766 9.125 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.307 7.986 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.825 7.588 -2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.540 9.235 -1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.174 10.865 -1.091 1.00 0.00 H new ATOM 767 N LYS A 47 -1.649 7.568 -7.485 1.00 0.00 N ATOM 768 CA LYS A 47 -2.104 7.932 -8.827 1.00 0.00 C ATOM 769 C LYS A 47 -3.425 7.230 -9.112 1.00 0.00 C ATOM 770 O LYS A 47 -4.349 7.811 -9.681 1.00 0.00 O ATOM 771 CB LYS A 47 -1.019 7.544 -9.851 1.00 0.00 C ATOM 772 CG LYS A 47 -1.448 7.489 -11.324 1.00 0.00 C ATOM 773 CD LYS A 47 -2.657 8.361 -11.635 1.00 0.00 C ATOM 774 CE LYS A 47 -2.493 9.088 -12.960 1.00 0.00 C ATOM 775 NZ LYS A 47 -1.442 10.141 -12.890 1.00 0.00 N ATOM 0 H LYS A 47 -0.640 7.443 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.269 9.007 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.198 8.255 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.625 6.566 -9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.613 7.803 -11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.676 6.457 -11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.554 7.743 -11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.798 9.088 -10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.236 8.370 -13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.442 9.541 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.582 10.823 -13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.505 10.634 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.504 9.702 -12.982 1.00 0.00 H new ATOM 789 N PHE A 48 -3.520 5.986 -8.659 1.00 0.00 N ATOM 790 CA PHE A 48 -4.738 5.216 -8.819 1.00 0.00 C ATOM 791 C PHE A 48 -5.386 4.934 -7.473 1.00 0.00 C ATOM 792 O PHE A 48 -6.600 4.754 -7.385 1.00 0.00 O ATOM 793 CB PHE A 48 -4.484 3.899 -9.535 1.00 0.00 C ATOM 794 CG PHE A 48 -5.737 3.347 -10.151 1.00 0.00 C ATOM 795 CD1 PHE A 48 -6.205 3.844 -11.357 1.00 0.00 C ATOM 796 CD2 PHE A 48 -6.458 2.347 -9.518 1.00 0.00 C ATOM 797 CE1 PHE A 48 -7.366 3.352 -11.922 1.00 0.00 C ATOM 798 CE2 PHE A 48 -7.619 1.849 -10.079 1.00 0.00 C ATOM 799 CZ PHE A 48 -8.074 2.352 -11.283 1.00 0.00 C ATOM 0 H PHE A 48 -2.767 5.493 -8.179 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.411 5.820 -9.427 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.732 4.046 -10.311 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.076 3.175 -8.830 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.656 4.625 -11.861 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.109 1.952 -8.575 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.720 3.749 -12.862 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.170 1.068 -9.577 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.981 1.964 -11.723 1.00 0.00 H new ATOM 809 N GLY A 49 -4.567 4.860 -6.429 1.00 0.00 N ATOM 810 CA GLY A 49 -5.087 4.558 -5.115 1.00 0.00 C ATOM 811 C GLY A 49 -5.545 3.118 -5.036 1.00 0.00 C ATOM 812 O GLY A 49 -6.159 2.697 -4.056 1.00 0.00 O ATOM 0 H GLY A 49 -3.558 5.003 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.319 4.742 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.921 5.222 -4.887 1.00 0.00 H new ATOM 816 N GLY A 50 -5.235 2.364 -6.088 1.00 0.00 N ATOM 817 CA GLY A 50 -5.602 0.973 -6.155 1.00 0.00 C ATOM 818 C GLY A 50 -4.682 0.209 -7.080 1.00 0.00 C ATOM 819 O GLY A 50 -4.630 0.473 -8.285 1.00 0.00 O ATOM 0 H GLY A 50 -4.728 2.706 -6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.564 0.536 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.631 0.882 -6.504 1.00 0.00 H new ATOM 823 N ALA A 51 -3.944 -0.734 -6.519 1.00 0.00 N ATOM 824 CA ALA A 51 -3.015 -1.531 -7.300 1.00 0.00 C ATOM 825 C ALA A 51 -3.698 -2.165 -8.502 1.00 0.00 C ATOM 826 O ALA A 51 -3.048 -2.537 -9.476 1.00 0.00 O ATOM 827 CB ALA A 51 -2.383 -2.592 -6.429 1.00 0.00 C ATOM 0 H ALA A 51 -3.970 -0.966 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.236 -0.869 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.688 -3.185 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.845 -2.117 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.160 -3.241 -6.025 1.00 0.00 H new ATOM 833 N ASP A 52 -5.014 -2.289 -8.429 1.00 0.00 N ATOM 834 CA ASP A 52 -5.781 -2.883 -9.505 1.00 0.00 C ATOM 835 C ASP A 52 -5.363 -2.338 -10.867 1.00 0.00 C ATOM 836 O ASP A 52 -5.049 -3.107 -11.773 1.00 0.00 O ATOM 837 CB ASP A 52 -7.275 -2.636 -9.286 1.00 0.00 C ATOM 838 CG ASP A 52 -7.764 -3.185 -7.960 1.00 0.00 C ATOM 839 OD1 ASP A 52 -6.929 -3.372 -7.051 1.00 0.00 O ATOM 840 OD2 ASP A 52 -8.982 -3.430 -7.832 1.00 0.00 O ATOM 0 H ASP A 52 -5.572 -1.984 -7.631 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.581 -3.955 -9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.473 -1.565 -9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.839 -3.097 -10.097 1.00 0.00 H new ATOM 845 N GLN A 53 -5.360 -1.013 -11.014 1.00 0.00 N ATOM 846 CA GLN A 53 -4.980 -0.398 -12.272 1.00 0.00 C ATOM 847 C GLN A 53 -3.515 -0.016 -12.282 1.00 0.00 C ATOM 848 O GLN A 53 -2.780 -0.320 -13.219 1.00 0.00 O ATOM 849 CB GLN A 53 -5.842 0.829 -12.548 1.00 0.00 C ATOM 850 CG GLN A 53 -5.622 1.431 -13.926 1.00 0.00 C ATOM 851 CD GLN A 53 -6.911 1.916 -14.562 1.00 0.00 C ATOM 852 OE1 GLN A 53 -7.924 1.217 -14.549 1.00 0.00 O ATOM 853 NE2 GLN A 53 -6.878 3.119 -15.123 1.00 0.00 N ATOM 0 H GLN A 53 -5.616 -0.354 -10.279 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.143 -1.133 -13.060 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.892 0.556 -12.444 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.633 1.586 -11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.924 2.264 -13.847 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.159 0.687 -14.574 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.016 3.664 -15.110 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.715 3.498 -15.566 1.00 0.00 H new ATOM 862 N VAL A 54 -3.119 0.703 -11.238 1.00 0.00 N ATOM 863 CA VAL A 54 -1.762 1.202 -11.116 1.00 0.00 C ATOM 864 C VAL A 54 -0.709 0.143 -11.380 1.00 0.00 C ATOM 865 O VAL A 54 0.417 0.462 -11.759 1.00 0.00 O ATOM 866 CB VAL A 54 -1.525 1.890 -9.755 1.00 0.00 C ATOM 867 CG1 VAL A 54 -1.085 0.952 -8.647 1.00 0.00 C ATOM 868 CG2 VAL A 54 -0.511 2.973 -9.938 1.00 0.00 C ATOM 0 H VAL A 54 -3.728 0.953 -10.459 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.652 1.951 -11.900 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.486 2.291 -9.432 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.941 1.518 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.849 0.191 -8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.148 0.472 -8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.332 3.469 -8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.421 2.541 -10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.881 3.700 -10.661 1.00 0.00 H new ATOM 878 N THR A 55 -1.071 -1.109 -11.192 1.00 0.00 N ATOM 879 CA THR A 55 -0.137 -2.190 -11.428 1.00 0.00 C ATOM 880 C THR A 55 -0.215 -2.676 -12.862 1.00 0.00 C ATOM 881 O THR A 55 0.801 -2.851 -13.534 1.00 0.00 O ATOM 882 CB THR A 55 -0.383 -3.334 -10.454 1.00 0.00 C ATOM 883 OG1 THR A 55 -1.592 -4.006 -10.758 1.00 0.00 O ATOM 884 CG2 THR A 55 -0.457 -2.863 -9.020 1.00 0.00 C ATOM 0 H THR A 55 -1.997 -1.402 -10.879 1.00 0.00 H new ATOM 0 HA THR A 55 0.870 -1.808 -11.260 1.00 0.00 H new ATOM 0 HB THR A 55 0.466 -4.009 -10.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.346 -3.390 -10.646 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.634 -3.716 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.483 -2.384 -8.746 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.273 -2.149 -8.913 1.00 0.00 H new ATOM 892 N ARG A 56 -1.429 -2.881 -13.316 1.00 0.00 N ATOM 893 CA ARG A 56 -1.673 -3.342 -14.680 1.00 0.00 C ATOM 894 C ARG A 56 -1.665 -2.181 -15.682 1.00 0.00 C ATOM 895 O ARG A 56 -1.966 -2.374 -16.860 1.00 0.00 O ATOM 896 CB ARG A 56 -3.008 -4.084 -14.759 1.00 0.00 C ATOM 897 CG ARG A 56 -4.196 -3.249 -14.312 1.00 0.00 C ATOM 898 CD ARG A 56 -4.790 -2.457 -15.464 1.00 0.00 C ATOM 899 NE ARG A 56 -6.088 -2.985 -15.879 1.00 0.00 N ATOM 900 CZ ARG A 56 -6.988 -2.287 -16.568 1.00 0.00 C ATOM 901 NH1 ARG A 56 -6.735 -1.034 -16.925 1.00 0.00 N ATOM 902 NH2 ARG A 56 -8.144 -2.844 -16.901 1.00 0.00 N ATOM 0 H ARG A 56 -2.274 -2.737 -12.763 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.863 -4.021 -14.945 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.171 -4.412 -15.785 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.953 -4.981 -14.142 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.959 -3.900 -13.886 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.884 -2.565 -13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.901 -1.414 -15.168 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.103 -2.477 -16.310 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.318 -3.946 -15.626 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.847 -0.601 -16.671 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.429 -0.504 -17.453 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.343 -3.807 -16.629 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.834 -2.310 -17.429 1.00 0.00 H new ATOM 916 N THR A 57 -1.322 -0.976 -15.218 1.00 0.00 N ATOM 917 CA THR A 57 -1.286 0.194 -16.095 1.00 0.00 C ATOM 918 C THR A 57 0.127 0.774 -16.189 1.00 0.00 C ATOM 919 O THR A 57 1.106 0.103 -15.864 1.00 0.00 O ATOM 920 CB THR A 57 -2.267 1.265 -15.603 1.00 0.00 C ATOM 921 OG1 THR A 57 -2.446 2.269 -16.590 1.00 0.00 O ATOM 922 CG2 THR A 57 -1.827 1.949 -14.325 1.00 0.00 C ATOM 0 H THR A 57 -1.068 -0.787 -14.248 1.00 0.00 H new ATOM 0 HA THR A 57 -1.587 -0.128 -17.092 1.00 0.00 H new ATOM 0 HB THR A 57 -3.197 0.732 -15.403 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.076 2.943 -16.260 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.569 2.694 -14.037 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.729 1.209 -13.531 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.866 2.438 -14.486 1.00 0.00 H new ATOM 930 N GLN A 58 0.224 2.024 -16.644 1.00 0.00 N ATOM 931 CA GLN A 58 1.516 2.690 -16.792 1.00 0.00 C ATOM 932 C GLN A 58 1.937 3.390 -15.501 1.00 0.00 C ATOM 933 O GLN A 58 3.126 3.579 -15.251 1.00 0.00 O ATOM 934 CB GLN A 58 1.460 3.702 -17.938 1.00 0.00 C ATOM 935 CG GLN A 58 0.493 4.848 -17.692 1.00 0.00 C ATOM 936 CD GLN A 58 1.200 6.145 -17.349 1.00 0.00 C ATOM 937 OE1 GLN A 58 2.136 6.555 -18.035 1.00 0.00 O ATOM 938 NE2 GLN A 58 0.755 6.797 -16.281 1.00 0.00 N ATOM 0 H GLN A 58 -0.577 2.594 -16.916 1.00 0.00 H new ATOM 0 HA GLN A 58 2.259 1.926 -17.019 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.458 4.109 -18.101 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.173 3.185 -18.854 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.121 4.997 -18.580 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.182 4.581 -16.879 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.024 6.420 -15.741 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.192 7.675 -16.000 1.00 0.00 H new ATOM 947 N GLN A 59 0.959 3.776 -14.684 1.00 0.00 N ATOM 948 CA GLN A 59 1.225 4.453 -13.426 1.00 0.00 C ATOM 949 C GLN A 59 2.315 3.738 -12.619 1.00 0.00 C ATOM 950 O GLN A 59 3.035 4.362 -11.833 1.00 0.00 O ATOM 951 CB GLN A 59 -0.083 4.550 -12.643 1.00 0.00 C ATOM 952 CG GLN A 59 -1.205 5.180 -13.463 1.00 0.00 C ATOM 953 CD GLN A 59 -2.585 4.724 -13.034 1.00 0.00 C ATOM 954 OE1 GLN A 59 -2.727 3.819 -12.215 1.00 0.00 O ATOM 955 NE2 GLN A 59 -3.613 5.354 -13.593 1.00 0.00 N ATOM 0 H GLN A 59 -0.031 3.628 -14.877 1.00 0.00 H new ATOM 0 HA GLN A 59 1.604 5.455 -13.626 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.386 3.553 -12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.079 5.140 -11.741 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.145 6.265 -13.377 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.059 4.935 -14.515 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.448 6.100 -14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.567 5.091 -13.346 1.00 0.00 H new ATOM 964 N TRP A 60 2.459 2.432 -12.834 1.00 0.00 N ATOM 965 CA TRP A 60 3.488 1.666 -12.138 1.00 0.00 C ATOM 966 C TRP A 60 4.860 2.125 -12.579 1.00 0.00 C ATOM 967 O TRP A 60 5.814 2.113 -11.801 1.00 0.00 O ATOM 968 CB TRP A 60 3.331 0.172 -12.395 1.00 0.00 C ATOM 969 CG TRP A 60 2.845 -0.603 -11.208 1.00 0.00 C ATOM 970 CD1 TRP A 60 2.720 -1.958 -11.136 1.00 0.00 C ATOM 971 CD2 TRP A 60 2.428 -0.091 -9.925 1.00 0.00 C ATOM 972 NE1 TRP A 60 2.206 -2.322 -9.917 1.00 0.00 N ATOM 973 CE2 TRP A 60 2.039 -1.198 -9.147 1.00 0.00 C ATOM 974 CE3 TRP A 60 2.337 1.189 -9.358 1.00 0.00 C ATOM 975 CZ2 TRP A 60 1.574 -1.063 -7.838 1.00 0.00 C ATOM 976 CZ3 TRP A 60 1.879 1.319 -8.064 1.00 0.00 C ATOM 977 CH2 TRP A 60 1.504 0.197 -7.315 1.00 0.00 C ATOM 0 H TRP A 60 1.883 1.888 -13.477 1.00 0.00 H new ATOM 0 HA TRP A 60 3.375 1.840 -11.068 1.00 0.00 H new ATOM 0 HB2 TRP A 60 2.634 0.027 -13.221 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.291 -0.234 -12.713 1.00 0.00 H new ATOM 0 HD1 TRP A 60 2.987 -2.646 -11.925 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.984 -3.275 -9.629 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.622 2.061 -9.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.280 -1.925 -7.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 1.808 2.302 -7.621 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.152 0.331 -6.303 1.00 0.00 H new ATOM 988 N SER A 61 4.947 2.561 -13.826 1.00 0.00 N ATOM 989 CA SER A 61 6.200 3.060 -14.357 1.00 0.00 C ATOM 990 C SER A 61 6.699 4.195 -13.471 1.00 0.00 C ATOM 991 O SER A 61 7.893 4.463 -13.401 1.00 0.00 O ATOM 992 CB SER A 61 6.023 3.547 -15.797 1.00 0.00 C ATOM 993 OG SER A 61 7.262 3.947 -16.357 1.00 0.00 O ATOM 0 H SER A 61 4.168 2.578 -14.484 1.00 0.00 H new ATOM 0 HA SER A 61 6.933 2.253 -14.365 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.587 2.752 -16.402 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.324 4.383 -15.818 1.00 0.00 H new ATOM 0 HG SER A 61 7.122 4.252 -17.278 1.00 0.00 H new ATOM 999 N MET A 62 5.760 4.843 -12.775 1.00 0.00 N ATOM 1000 CA MET A 62 6.090 5.932 -11.867 1.00 0.00 C ATOM 1001 C MET A 62 6.619 5.371 -10.555 1.00 0.00 C ATOM 1002 O MET A 62 7.736 5.688 -10.147 1.00 0.00 O ATOM 1003 CB MET A 62 4.866 6.806 -11.611 1.00 0.00 C ATOM 1004 CG MET A 62 4.136 7.211 -12.879 1.00 0.00 C ATOM 1005 SD MET A 62 2.708 8.254 -12.547 1.00 0.00 S ATOM 1006 CE MET A 62 1.701 7.134 -11.582 1.00 0.00 C ATOM 0 H MET A 62 4.764 4.627 -12.827 1.00 0.00 H new ATOM 0 HA MET A 62 6.862 6.548 -12.327 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.176 6.270 -10.959 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.176 7.704 -11.077 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.824 7.741 -13.537 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.813 6.316 -13.410 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.778 6.920 -12.120 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.247 6.206 -11.415 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.464 7.593 -10.622 1.00 0.00 H new ATOM 1016 N VAL A 63 5.835 4.505 -9.904 1.00 0.00 N ATOM 1017 CA VAL A 63 6.294 3.893 -8.659 1.00 0.00 C ATOM 1018 C VAL A 63 7.587 3.150 -8.947 1.00 0.00 C ATOM 1019 O VAL A 63 8.661 3.515 -8.467 1.00 0.00 O ATOM 1020 CB VAL A 63 5.286 2.883 -8.049 1.00 0.00 C ATOM 1021 CG1 VAL A 63 5.791 2.369 -6.714 1.00 0.00 C ATOM 1022 CG2 VAL A 63 3.914 3.482 -7.854 1.00 0.00 C ATOM 0 H VAL A 63 4.905 4.220 -10.210 1.00 0.00 H new ATOM 0 HA VAL A 63 6.419 4.698 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 63 5.201 2.063 -8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.072 1.662 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.750 1.870 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.915 3.205 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.248 2.734 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.982 4.336 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.520 3.809 -8.816 1.00 0.00 H new ATOM 1032 N ALA A 64 7.457 2.103 -9.752 1.00 0.00 N ATOM 1033 CA ALA A 64 8.593 1.273 -10.147 1.00 0.00 C ATOM 1034 C ALA A 64 9.845 2.089 -10.498 1.00 0.00 C ATOM 1035 O ALA A 64 10.961 1.669 -10.200 1.00 0.00 O ATOM 1036 CB ALA A 64 8.205 0.393 -11.325 1.00 0.00 C ATOM 0 H ALA A 64 6.566 1.804 -10.149 1.00 0.00 H new ATOM 0 HA ALA A 64 8.849 0.659 -9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.056 -0.223 -11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.372 -0.250 -11.040 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.908 1.020 -12.166 1.00 0.00 H new ATOM 1042 N GLN A 65 9.675 3.239 -11.145 1.00 0.00 N ATOM 1043 CA GLN A 65 10.831 4.056 -11.528 1.00 0.00 C ATOM 1044 C GLN A 65 11.275 4.972 -10.392 1.00 0.00 C ATOM 1045 O GLN A 65 12.458 5.287 -10.265 1.00 0.00 O ATOM 1046 CB GLN A 65 10.533 4.883 -12.784 1.00 0.00 C ATOM 1047 CG GLN A 65 9.756 6.164 -12.517 1.00 0.00 C ATOM 1048 CD GLN A 65 9.450 6.937 -13.785 1.00 0.00 C ATOM 1049 OE1 GLN A 65 8.447 6.686 -14.452 1.00 0.00 O ATOM 1050 NE2 GLN A 65 10.317 7.884 -14.124 1.00 0.00 N ATOM 0 H GLN A 65 8.769 3.624 -11.412 1.00 0.00 H new ATOM 0 HA GLN A 65 11.647 3.368 -11.748 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.475 5.137 -13.270 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.968 4.268 -13.485 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.822 5.919 -12.011 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.329 6.797 -11.839 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.136 8.058 -13.541 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.164 8.437 -14.967 1.00 0.00 H new ATOM 1059 N ARG A 66 10.324 5.404 -9.574 1.00 0.00 N ATOM 1060 CA ARG A 66 10.624 6.292 -8.457 1.00 0.00 C ATOM 1061 C ARG A 66 11.744 5.732 -7.586 1.00 0.00 C ATOM 1062 O ARG A 66 12.731 6.414 -7.312 1.00 0.00 O ATOM 1063 CB ARG A 66 9.373 6.519 -7.611 1.00 0.00 C ATOM 1064 CG ARG A 66 9.059 7.990 -7.383 1.00 0.00 C ATOM 1065 CD ARG A 66 9.634 8.486 -6.065 1.00 0.00 C ATOM 1066 NE ARG A 66 9.976 9.906 -6.116 1.00 0.00 N ATOM 1067 CZ ARG A 66 11.095 10.381 -6.659 1.00 0.00 C ATOM 1068 NH1 ARG A 66 11.983 9.555 -7.198 1.00 0.00 N ATOM 1069 NH2 ARG A 66 11.326 11.687 -6.662 1.00 0.00 N ATOM 0 H ARG A 66 9.339 5.154 -9.662 1.00 0.00 H new ATOM 0 HA ARG A 66 10.958 7.244 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.522 6.044 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.501 6.028 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.465 8.581 -8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.979 8.137 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.911 8.316 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.524 7.908 -5.817 1.00 0.00 H new ATOM 0 HE ARG A 66 9.318 10.573 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.810 8.550 -7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.838 9.925 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.647 12.326 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.183 12.052 -7.078 1.00 0.00 H new ATOM 1083 N LEU A 67 11.582 4.488 -7.149 1.00 0.00 N ATOM 1084 CA LEU A 67 12.578 3.843 -6.304 1.00 0.00 C ATOM 1085 C LEU A 67 13.692 3.204 -7.136 1.00 0.00 C ATOM 1086 O LEU A 67 14.584 2.553 -6.593 1.00 0.00 O ATOM 1087 CB LEU A 67 11.907 2.789 -5.425 1.00 0.00 C ATOM 1088 CG LEU A 67 11.490 1.510 -6.154 1.00 0.00 C ATOM 1089 CD1 LEU A 67 11.966 0.290 -5.392 1.00 0.00 C ATOM 1090 CD2 LEU A 67 9.982 1.462 -6.348 1.00 0.00 C ATOM 0 H LEU A 67 10.772 3.908 -7.366 1.00 0.00 H new ATOM 0 HA LEU A 67 13.032 4.607 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.589 2.523 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.024 3.231 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 67 11.958 1.511 -7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.662 -0.612 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.053 0.314 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.526 0.290 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.711 0.543 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.489 1.487 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.664 2.321 -6.939 1.00 0.00 H new ATOM 1102 N GLN A 68 13.634 3.393 -8.454 1.00 0.00 N ATOM 1103 CA GLN A 68 14.638 2.838 -9.357 1.00 0.00 C ATOM 1104 C GLN A 68 14.602 1.311 -9.362 1.00 0.00 C ATOM 1105 O GLN A 68 15.643 0.656 -9.307 1.00 0.00 O ATOM 1106 CB GLN A 68 16.036 3.329 -8.970 1.00 0.00 C ATOM 1107 CG GLN A 68 16.403 4.667 -9.590 1.00 0.00 C ATOM 1108 CD GLN A 68 17.871 5.007 -9.417 1.00 0.00 C ATOM 1109 OE1 GLN A 68 18.371 5.098 -8.296 1.00 0.00 O ATOM 1110 NE2 GLN A 68 18.569 5.198 -10.530 1.00 0.00 N ATOM 0 H GLN A 68 12.900 3.927 -8.919 1.00 0.00 H new ATOM 0 HA GLN A 68 14.404 3.185 -10.364 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.095 3.412 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.771 2.583 -9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.161 4.650 -10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.796 5.452 -9.138 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.114 5.112 -11.439 1.00 0.00 H new ATOM 0 HE22 GLN A 68 19.561 5.430 -10.476 1.00 0.00 H new ATOM 1119 N ILE A 69 13.399 0.747 -9.443 1.00 0.00 N ATOM 1120 CA ILE A 69 13.237 -0.704 -9.472 1.00 0.00 C ATOM 1121 C ILE A 69 12.820 -1.170 -10.863 1.00 0.00 C ATOM 1122 O ILE A 69 13.285 -2.199 -11.353 1.00 0.00 O ATOM 1123 CB ILE A 69 12.202 -1.186 -8.430 1.00 0.00 C ATOM 1124 CG1 ILE A 69 12.075 -2.710 -8.462 1.00 0.00 C ATOM 1125 CG2 ILE A 69 10.847 -0.536 -8.670 1.00 0.00 C ATOM 1126 CD1 ILE A 69 13.398 -3.436 -8.348 1.00 0.00 C ATOM 0 H ILE A 69 12.525 1.271 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 69 14.203 -1.141 -9.219 1.00 0.00 H new ATOM 0 HB ILE A 69 12.554 -0.888 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.425 -3.028 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.588 -3.005 -9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.136 -0.891 -7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.944 0.547 -8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.489 -0.798 -9.666 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.226 -4.512 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.044 -3.148 -9.178 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.878 -3.172 -7.406 1.00 0.00 H new ATOM 1138 N SER A 70 11.949 -0.394 -11.496 1.00 0.00 N ATOM 1139 CA SER A 70 11.468 -0.702 -12.840 1.00 0.00 C ATOM 1140 C SER A 70 10.813 -2.081 -12.918 1.00 0.00 C ATOM 1141 O SER A 70 10.624 -2.617 -14.009 1.00 0.00 O ATOM 1142 CB SER A 70 12.622 -0.620 -13.841 1.00 0.00 C ATOM 1143 OG SER A 70 12.216 -1.061 -15.125 1.00 0.00 O ATOM 0 H SER A 70 11.558 0.460 -11.098 1.00 0.00 H new ATOM 0 HA SER A 70 10.708 0.038 -13.090 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.982 0.407 -13.903 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.455 -1.229 -13.491 1.00 0.00 H new ATOM 0 HG SER A 70 11.283 -1.359 -15.089 1.00 0.00 H new ATOM 1149 N ASP A 71 10.462 -2.657 -11.769 1.00 0.00 N ATOM 1150 CA ASP A 71 9.826 -3.970 -11.751 1.00 0.00 C ATOM 1151 C ASP A 71 8.337 -3.849 -11.434 1.00 0.00 C ATOM 1152 O ASP A 71 7.900 -4.184 -10.337 1.00 0.00 O ATOM 1153 CB ASP A 71 10.514 -4.878 -10.728 1.00 0.00 C ATOM 1154 CG ASP A 71 10.700 -6.292 -11.243 1.00 0.00 C ATOM 1155 OD1 ASP A 71 11.206 -6.451 -12.373 1.00 0.00 O ATOM 1156 OD2 ASP A 71 10.340 -7.240 -10.514 1.00 0.00 O ATOM 0 H ASP A 71 10.606 -2.240 -10.849 1.00 0.00 H new ATOM 0 HA ASP A 71 9.929 -4.413 -12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.486 -4.458 -10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.923 -4.902 -9.812 1.00 0.00 H new ATOM 1161 N TYR A 72 7.563 -3.358 -12.405 1.00 0.00 N ATOM 1162 CA TYR A 72 6.115 -3.177 -12.241 1.00 0.00 C ATOM 1163 C TYR A 72 5.466 -4.366 -11.535 1.00 0.00 C ATOM 1164 O TYR A 72 4.438 -4.222 -10.869 1.00 0.00 O ATOM 1165 CB TYR A 72 5.452 -2.953 -13.599 1.00 0.00 C ATOM 1166 CG TYR A 72 5.907 -3.922 -14.668 1.00 0.00 C ATOM 1167 CD1 TYR A 72 5.549 -5.263 -14.614 1.00 0.00 C ATOM 1168 CD2 TYR A 72 6.694 -3.496 -15.731 1.00 0.00 C ATOM 1169 CE1 TYR A 72 5.961 -6.152 -15.588 1.00 0.00 C ATOM 1170 CE2 TYR A 72 7.110 -4.379 -16.710 1.00 0.00 C ATOM 1171 CZ TYR A 72 6.741 -5.705 -16.634 1.00 0.00 C ATOM 1172 OH TYR A 72 7.154 -6.587 -17.606 1.00 0.00 O ATOM 0 H TYR A 72 7.916 -3.076 -13.320 1.00 0.00 H new ATOM 0 HA TYR A 72 5.967 -2.298 -11.614 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.371 -3.035 -13.483 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.660 -1.936 -13.931 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.938 -5.617 -13.797 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.986 -2.458 -15.793 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.674 -7.192 -15.531 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.721 -4.032 -17.530 1.00 0.00 H new ATOM 0 HH TYR A 72 7.695 -6.111 -18.271 1.00 0.00 H new ATOM 1182 N GLN A 73 6.066 -5.539 -11.672 1.00 0.00 N ATOM 1183 CA GLN A 73 5.538 -6.726 -11.033 1.00 0.00 C ATOM 1184 C GLN A 73 5.823 -6.675 -9.532 1.00 0.00 C ATOM 1185 O GLN A 73 4.990 -7.064 -8.702 1.00 0.00 O ATOM 1186 CB GLN A 73 6.148 -7.969 -11.686 1.00 0.00 C ATOM 1187 CG GLN A 73 7.360 -8.530 -10.964 1.00 0.00 C ATOM 1188 CD GLN A 73 6.982 -9.590 -9.947 1.00 0.00 C ATOM 1189 OE1 GLN A 73 7.045 -9.229 -8.671 1.00 0.00 O flip ATOM 1190 NE2 GLN A 73 6.637 -10.716 -10.304 1.00 0.00 N flip ATOM 0 H GLN A 73 6.914 -5.690 -12.218 1.00 0.00 H new ATOM 0 HA GLN A 73 4.457 -6.773 -11.163 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.385 -8.745 -11.744 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.432 -7.724 -12.709 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.049 -8.957 -11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.889 -7.720 -10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.603 -10.948 -11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.385 -11.417 -9.607 1.00 0.00 H new ATOM 1199 N GLN A 74 6.982 -6.128 -9.182 1.00 0.00 N ATOM 1200 CA GLN A 74 7.344 -5.976 -7.796 1.00 0.00 C ATOM 1201 C GLN A 74 6.452 -4.917 -7.213 1.00 0.00 C ATOM 1202 O GLN A 74 6.089 -4.961 -6.045 1.00 0.00 O ATOM 1203 CB GLN A 74 8.813 -5.575 -7.658 1.00 0.00 C ATOM 1204 CG GLN A 74 9.262 -5.400 -6.219 1.00 0.00 C ATOM 1205 CD GLN A 74 10.191 -6.505 -5.757 1.00 0.00 C ATOM 1206 OE1 GLN A 74 11.393 -6.294 -5.596 1.00 0.00 O ATOM 1207 NE2 GLN A 74 9.637 -7.692 -5.541 1.00 0.00 N ATOM 0 H GLN A 74 7.679 -5.786 -9.844 1.00 0.00 H new ATOM 0 HA GLN A 74 7.217 -6.920 -7.266 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.434 -6.334 -8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.979 -4.643 -8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.767 -4.439 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.386 -5.372 -5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.636 -7.822 -5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.212 -8.474 -5.229 1.00 0.00 H new ATOM 1216 N LEU A 75 6.083 -3.969 -8.063 1.00 0.00 N ATOM 1217 CA LEU A 75 5.225 -2.898 -7.673 1.00 0.00 C ATOM 1218 C LEU A 75 3.968 -3.404 -7.028 1.00 0.00 C ATOM 1219 O LEU A 75 3.749 -3.177 -5.846 1.00 0.00 O ATOM 1220 CB LEU A 75 4.916 -2.056 -8.866 1.00 0.00 C ATOM 1221 CG LEU A 75 5.986 -1.047 -9.149 1.00 0.00 C ATOM 1222 CD1 LEU A 75 6.150 -0.159 -7.938 1.00 0.00 C ATOM 1223 CD2 LEU A 75 7.314 -1.706 -9.484 1.00 0.00 C ATOM 0 H LEU A 75 6.379 -3.935 -9.039 1.00 0.00 H new ATOM 0 HA LEU A 75 5.739 -2.291 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.788 -2.699 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.968 -1.541 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 75 5.684 -0.461 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.927 0.581 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.209 0.350 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.433 -0.766 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.062 -0.938 -9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.638 -2.319 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.196 -2.334 -10.367 1.00 0.00 H new ATOM 1235 N GLU A 76 3.126 -4.107 -7.744 1.00 0.00 N ATOM 1236 CA GLU A 76 1.953 -4.592 -7.049 1.00 0.00 C ATOM 1237 C GLU A 76 2.383 -5.436 -5.864 1.00 0.00 C ATOM 1238 O GLU A 76 1.625 -5.603 -4.912 1.00 0.00 O ATOM 1239 CB GLU A 76 0.956 -5.359 -7.881 1.00 0.00 C ATOM 1240 CG GLU A 76 -0.392 -5.328 -7.182 1.00 0.00 C ATOM 1241 CD GLU A 76 -1.463 -6.118 -7.907 1.00 0.00 C ATOM 1242 OE1 GLU A 76 -1.140 -7.194 -8.453 1.00 0.00 O ATOM 1243 OE2 GLU A 76 -2.626 -5.662 -7.928 1.00 0.00 O ATOM 0 H GLU A 76 3.213 -4.345 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 76 1.420 -3.693 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.876 -4.919 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.288 -6.388 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.279 -5.724 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.718 -4.293 -7.083 1.00 0.00 H new ATOM 1250 N SER A 77 3.630 -5.923 -5.881 1.00 0.00 N ATOM 1251 CA SER A 77 4.119 -6.672 -4.741 1.00 0.00 C ATOM 1252 C SER A 77 4.096 -5.733 -3.538 1.00 0.00 C ATOM 1253 O SER A 77 3.851 -6.142 -2.406 1.00 0.00 O ATOM 1254 CB SER A 77 5.529 -7.216 -4.983 1.00 0.00 C ATOM 1255 OG SER A 77 5.675 -8.517 -4.441 1.00 0.00 O ATOM 0 H SER A 77 4.292 -5.812 -6.649 1.00 0.00 H new ATOM 0 HA SER A 77 3.483 -7.540 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.734 -7.240 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.262 -6.547 -4.533 1.00 0.00 H new ATOM 0 HG SER A 77 6.584 -8.842 -4.611 1.00 0.00 H new ATOM 1261 N ILE A 78 4.300 -4.446 -3.822 1.00 0.00 N ATOM 1262 CA ILE A 78 4.254 -3.412 -2.797 1.00 0.00 C ATOM 1263 C ILE A 78 2.847 -3.267 -2.315 1.00 0.00 C ATOM 1264 O ILE A 78 2.502 -3.573 -1.172 1.00 0.00 O ATOM 1265 CB ILE A 78 4.619 -1.984 -3.314 1.00 0.00 C ATOM 1266 CG1 ILE A 78 5.304 -2.007 -4.658 1.00 0.00 C ATOM 1267 CG2 ILE A 78 5.414 -1.198 -2.316 1.00 0.00 C ATOM 1268 CD1 ILE A 78 6.555 -2.861 -4.695 1.00 0.00 C ATOM 0 H ILE A 78 4.499 -4.097 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 78 4.972 -3.732 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 78 3.667 -1.471 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.602 -2.375 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.564 -0.987 -4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.641 -0.214 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.836 -1.085 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.344 -1.723 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.990 -2.827 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.277 -2.481 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.300 -3.891 -4.446 1.00 0.00 H new ATOM 1280 N TYR A 79 2.052 -2.741 -3.227 1.00 0.00 N ATOM 1281 CA TYR A 79 0.690 -2.465 -2.968 1.00 0.00 C ATOM 1282 C TYR A 79 -0.028 -3.679 -2.461 1.00 0.00 C ATOM 1283 O TYR A 79 -0.653 -3.653 -1.407 1.00 0.00 O ATOM 1284 CB TYR A 79 0.006 -1.932 -4.221 1.00 0.00 C ATOM 1285 CG TYR A 79 -1.286 -1.203 -3.924 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -2.366 -1.858 -3.345 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -1.418 0.146 -4.214 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -3.543 -1.186 -3.068 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -2.589 0.826 -3.938 1.00 0.00 C ATOM 1290 CZ TYR A 79 -3.648 0.156 -3.366 1.00 0.00 C ATOM 1291 OH TYR A 79 -4.816 0.829 -3.089 1.00 0.00 O ATOM 0 H TYR A 79 2.355 -2.499 -4.170 1.00 0.00 H new ATOM 0 HA TYR A 79 0.649 -1.702 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.686 -1.257 -4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.199 -2.762 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.285 -2.908 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.591 0.675 -4.664 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.375 -1.710 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.673 1.877 -4.170 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.684 1.788 -3.239 1.00 0.00 H new ATOM 1301 N PHE A 80 0.046 -4.730 -3.240 1.00 0.00 N ATOM 1302 CA PHE A 80 -0.662 -5.957 -2.907 1.00 0.00 C ATOM 1303 C PHE A 80 0.086 -6.930 -2.003 1.00 0.00 C ATOM 1304 O PHE A 80 -0.484 -7.396 -1.008 1.00 0.00 O ATOM 1305 CB PHE A 80 -1.064 -6.679 -4.196 1.00 0.00 C ATOM 1306 CG PHE A 80 -2.119 -7.740 -4.024 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -1.929 -8.811 -3.161 1.00 0.00 C ATOM 1308 CD2 PHE A 80 -3.304 -7.668 -4.740 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -2.901 -9.784 -3.017 1.00 0.00 C ATOM 1310 CE2 PHE A 80 -4.278 -8.638 -4.599 1.00 0.00 C ATOM 1311 CZ PHE A 80 -4.076 -9.697 -3.736 1.00 0.00 C ATOM 0 H PHE A 80 0.584 -4.768 -4.106 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.528 -5.634 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.425 -5.940 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.176 -7.137 -4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.012 -8.885 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.468 -6.843 -5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.741 -10.612 -2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.196 -8.568 -5.163 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.836 -10.456 -3.624 1.00 0.00 H new ATOM 1321 N ARG A 81 1.312 -7.296 -2.374 1.00 0.00 N ATOM 1322 CA ARG A 81 2.051 -8.307 -1.624 1.00 0.00 C ATOM 1323 C ARG A 81 2.556 -7.837 -0.273 1.00 0.00 C ATOM 1324 O ARG A 81 3.121 -8.629 0.480 1.00 0.00 O ATOM 1325 CB ARG A 81 3.200 -8.858 -2.467 1.00 0.00 C ATOM 1326 CG ARG A 81 2.748 -9.729 -3.638 1.00 0.00 C ATOM 1327 CD ARG A 81 1.461 -9.218 -4.282 1.00 0.00 C ATOM 1328 NE ARG A 81 1.035 -10.062 -5.396 1.00 0.00 N ATOM 1329 CZ ARG A 81 1.558 -9.996 -6.618 1.00 0.00 C ATOM 1330 NH1 ARG A 81 2.523 -9.126 -6.889 1.00 0.00 N ATOM 1331 NH2 ARG A 81 1.114 -10.801 -7.573 1.00 0.00 N ATOM 0 H ARG A 81 1.808 -6.913 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 81 1.336 -9.100 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.787 -8.024 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.860 -9.443 -1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.538 -9.762 -4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.596 -10.751 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.670 -9.180 -3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.613 -8.199 -4.637 1.00 0.00 H new ATOM 0 HE ARG A 81 0.293 -10.742 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.868 -8.503 -6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.920 -9.080 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.372 -11.471 -7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.515 -10.751 -8.510 1.00 0.00 H new ATOM 1345 N ILE A 82 2.351 -6.574 0.056 1.00 0.00 N ATOM 1346 CA ILE A 82 2.798 -6.081 1.341 1.00 0.00 C ATOM 1347 C ILE A 82 1.654 -5.453 2.125 1.00 0.00 C ATOM 1348 O ILE A 82 1.493 -5.738 3.310 1.00 0.00 O ATOM 1349 CB ILE A 82 3.971 -5.097 1.190 1.00 0.00 C ATOM 1350 CG1 ILE A 82 5.102 -5.772 0.422 1.00 0.00 C ATOM 1351 CG2 ILE A 82 4.475 -4.640 2.550 1.00 0.00 C ATOM 1352 CD1 ILE A 82 6.216 -4.825 0.036 1.00 0.00 C ATOM 0 H ILE A 82 1.887 -5.885 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 82 3.157 -6.939 1.909 1.00 0.00 H new ATOM 0 HB ILE A 82 3.623 -4.221 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.514 -6.577 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.696 -6.230 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.304 -3.945 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.668 -4.143 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.814 -5.504 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.987 -5.372 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.817 -4.033 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.648 -4.386 0.935 1.00 0.00 H new ATOM 1364 N LEU A 83 0.838 -4.624 1.478 1.00 0.00 N ATOM 1365 CA LEU A 83 -0.278 -4.005 2.176 1.00 0.00 C ATOM 1366 C LEU A 83 -1.395 -3.622 1.221 1.00 0.00 C ATOM 1367 O LEU A 83 -1.770 -2.455 1.158 1.00 0.00 O ATOM 1368 CB LEU A 83 0.185 -2.760 2.931 1.00 0.00 C ATOM 1369 CG LEU A 83 0.829 -1.673 2.072 1.00 0.00 C ATOM 1370 CD1 LEU A 83 0.797 -0.345 2.805 1.00 0.00 C ATOM 1371 CD2 LEU A 83 2.259 -2.045 1.705 1.00 0.00 C ATOM 0 H LEU A 83 0.927 -4.371 0.494 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.662 -4.742 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.673 -2.330 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.899 -3.065 3.696 1.00 0.00 H new ATOM 0 HG LEU A 83 0.258 -1.580 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.258 0.424 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.237 -0.070 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.346 -0.433 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.695 -1.255 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.848 -2.167 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.259 -2.980 1.144 1.00 0.00 H new ATOM 1383 N LEU A 84 -1.944 -4.586 0.479 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.022 -4.263 -0.448 1.00 0.00 C ATOM 1385 C LEU A 84 -4.082 -3.393 0.270 1.00 0.00 C ATOM 1386 O LEU A 84 -4.145 -2.181 0.065 1.00 0.00 O ATOM 1387 CB LEU A 84 -3.607 -5.561 -1.058 1.00 0.00 C ATOM 1388 CG LEU A 84 -4.996 -5.433 -1.662 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -5.181 -4.025 -2.158 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -5.193 -6.436 -2.786 1.00 0.00 C ATOM 0 H LEU A 84 -1.668 -5.568 0.501 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.640 -3.675 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.926 -5.918 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.637 -6.325 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.745 -5.650 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.175 -3.920 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.075 -3.329 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.428 -3.804 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.194 -6.324 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.454 -6.257 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.072 -7.447 -2.397 1.00 0.00 H new ATOM 1402 N PRO A 85 -4.891 -4.004 1.140 1.00 0.00 N ATOM 1403 CA PRO A 85 -5.929 -3.348 1.946 1.00 0.00 C ATOM 1404 C PRO A 85 -5.515 -1.978 2.495 1.00 0.00 C ATOM 1405 O PRO A 85 -6.146 -0.969 2.192 1.00 0.00 O ATOM 1406 CB PRO A 85 -6.111 -4.347 3.116 1.00 0.00 C ATOM 1407 CG PRO A 85 -5.024 -5.362 2.918 1.00 0.00 C ATOM 1408 CD PRO A 85 -4.848 -5.405 1.446 1.00 0.00 C ATOM 0 HA PRO A 85 -6.824 -3.142 1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.018 -3.849 4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.097 -4.812 3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.104 -5.067 3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.308 -6.336 3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.904 -5.865 1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.642 -5.963 0.949 1.00 0.00 H new ATOM 1416 N TYR A 86 -4.469 -1.958 3.325 1.00 0.00 N ATOM 1417 CA TYR A 86 -3.984 -0.718 3.946 1.00 0.00 C ATOM 1418 C TYR A 86 -4.014 0.467 2.987 1.00 0.00 C ATOM 1419 O TYR A 86 -4.638 1.490 3.267 1.00 0.00 O ATOM 1420 CB TYR A 86 -2.562 -0.907 4.478 1.00 0.00 C ATOM 1421 CG TYR A 86 -2.150 0.119 5.518 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -3.081 0.978 6.099 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -0.824 0.227 5.921 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -2.702 1.909 7.045 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -0.439 1.157 6.868 1.00 0.00 C ATOM 1426 CZ TYR A 86 -1.382 1.995 7.426 1.00 0.00 C ATOM 1427 OH TYR A 86 -1.003 2.923 8.368 1.00 0.00 O ATOM 0 H TYR A 86 -3.938 -2.789 3.585 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.662 -0.495 4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.477 -1.903 4.912 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -1.864 -0.863 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.118 0.914 5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.082 -0.427 5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.437 2.567 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.596 1.227 7.170 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.747 3.086 8.984 1.00 0.00 H new ATOM 1437 N GLU A 87 -3.328 0.325 1.866 1.00 0.00 N ATOM 1438 CA GLU A 87 -3.261 1.389 0.868 1.00 0.00 C ATOM 1439 C GLU A 87 -4.648 1.755 0.355 1.00 0.00 C ATOM 1440 O GLU A 87 -5.018 2.927 0.319 1.00 0.00 O ATOM 1441 CB GLU A 87 -2.374 0.964 -0.301 1.00 0.00 C ATOM 1442 CG GLU A 87 -1.234 0.045 0.104 1.00 0.00 C ATOM 1443 CD GLU A 87 -0.036 0.158 -0.821 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -0.169 0.791 -1.889 1.00 0.00 O ATOM 1445 OE2 GLU A 87 1.035 -0.383 -0.476 1.00 0.00 O ATOM 0 H GLU A 87 -2.807 -0.517 1.620 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.830 2.268 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.988 0.460 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.961 1.854 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.926 0.282 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.588 -0.986 0.110 1.00 0.00 H new ATOM 1452 N ARG A 88 -5.408 0.746 -0.049 1.00 0.00 N ATOM 1453 CA ARG A 88 -6.755 0.962 -0.573 1.00 0.00 C ATOM 1454 C ARG A 88 -7.787 1.125 0.545 1.00 0.00 C ATOM 1455 O ARG A 88 -8.989 1.165 0.284 1.00 0.00 O ATOM 1456 CB ARG A 88 -7.156 -0.208 -1.473 1.00 0.00 C ATOM 1457 CG ARG A 88 -8.305 0.111 -2.415 1.00 0.00 C ATOM 1458 CD ARG A 88 -8.846 -1.143 -3.085 1.00 0.00 C ATOM 1459 NE ARG A 88 -10.208 -1.452 -2.651 1.00 0.00 N ATOM 1460 CZ ARG A 88 -10.503 -2.233 -1.613 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -9.538 -2.790 -0.891 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -11.770 -2.459 -1.296 1.00 0.00 N ATOM 0 H ARG A 88 -5.117 -0.231 -0.025 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.738 1.888 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.291 -0.516 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.435 -1.056 -0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.105 0.602 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.967 0.814 -3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.831 -1.011 -4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.193 -1.986 -2.858 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.981 -1.044 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.561 -2.621 -1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.774 -3.387 -0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.517 -2.035 -1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.998 -3.057 -0.502 1.00 0.00 H new ATOM 1476 N HIS A 89 -7.322 1.201 1.788 1.00 0.00 N ATOM 1477 CA HIS A 89 -8.220 1.337 2.930 1.00 0.00 C ATOM 1478 C HIS A 89 -8.499 2.798 3.284 1.00 0.00 C ATOM 1479 O HIS A 89 -9.627 3.272 3.152 1.00 0.00 O ATOM 1480 CB HIS A 89 -7.638 0.611 4.145 1.00 0.00 C ATOM 1481 CG HIS A 89 -8.366 -0.650 4.494 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -8.644 -1.638 3.573 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -8.876 -1.083 5.672 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -9.293 -2.623 4.168 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -9.446 -2.310 5.442 1.00 0.00 N ATOM 0 H HIS A 89 -6.332 1.171 2.030 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.170 0.884 2.646 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -6.592 0.375 3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -7.659 1.282 5.003 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -8.388 -1.612 2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -8.841 -0.560 6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.639 -3.529 3.694 1.00 0.00 H new