USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 578 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 11 MET CE :methyl -176:sc= -1.74 (180deg=-1.84) USER MOD Set 1.2: A 48 HIS : no HD1:sc= -0.73 K(o=-2.5,f=-1.9) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -0.0678 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 97:sc= 0.64 USER MOD Single : A 8 LYS NZ :NH3+ 138:sc= 0.032 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.474) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -104:sc= 0.163 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -173:sc= -0.324 (180deg=-0.493) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -113:sc= -0.139 (180deg=-0.439) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00344) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0.32 (180deg=0.297) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.061) USER MOD Single : A 64 GLN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.267 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 1.030 13.389 6.327 1.00 0.00 N ATOM 15 CA ASP A 2 2.024 12.554 6.998 1.00 0.00 C ATOM 16 C ASP A 2 1.725 11.073 6.778 1.00 0.00 C ATOM 17 O ASP A 2 0.884 10.490 7.467 1.00 0.00 O ATOM 18 CB ASP A 2 2.055 12.868 8.497 1.00 0.00 C ATOM 19 CG ASP A 2 2.422 14.313 8.780 1.00 0.00 C ATOM 20 OD1 ASP A 2 3.631 14.625 8.804 1.00 0.00 O ATOM 21 OD2 ASP A 2 1.501 15.134 8.976 1.00 0.00 O ATOM 0 HA ASP A 2 3.001 12.775 6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.078 12.653 8.930 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.773 12.211 8.988 1.00 0.00 H new ATOM 26 N VAL A 3 2.409 10.471 5.806 1.00 0.00 N ATOM 27 CA VAL A 3 2.217 9.057 5.486 1.00 0.00 C ATOM 28 C VAL A 3 2.820 8.140 6.555 1.00 0.00 C ATOM 29 O VAL A 3 2.268 7.078 6.844 1.00 0.00 O ATOM 30 CB VAL A 3 2.821 8.704 4.106 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.343 8.799 4.129 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.371 7.320 3.660 1.00 0.00 C ATOM 0 H VAL A 3 3.103 10.942 5.225 1.00 0.00 H new ATOM 0 HA VAL A 3 1.140 8.892 5.457 1.00 0.00 H new ATOM 0 HB VAL A 3 2.454 9.433 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.738 8.545 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.640 9.815 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.740 8.105 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.807 7.092 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.699 6.578 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.284 7.298 3.585 1.00 0.00 H new ATOM 42 N TRP A 4 3.949 8.552 7.141 1.00 0.00 N ATOM 43 CA TRP A 4 4.610 7.749 8.167 1.00 0.00 C ATOM 44 C TRP A 4 3.968 7.968 9.537 1.00 0.00 C ATOM 45 O TRP A 4 3.759 7.011 10.285 1.00 0.00 O ATOM 46 CB TRP A 4 6.107 8.073 8.228 1.00 0.00 C ATOM 47 CG TRP A 4 6.981 6.853 8.270 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.879 5.798 9.133 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.096 6.566 7.416 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.858 4.873 8.864 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.617 5.321 7.815 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.701 7.240 6.351 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.715 4.738 7.187 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.790 6.660 5.729 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.288 5.420 6.148 1.00 0.00 C ATOM 0 H TRP A 4 4.419 9.431 6.923 1.00 0.00 H new ATOM 0 HA TRP A 4 4.489 6.700 7.896 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.377 8.674 7.360 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.304 8.682 9.110 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.137 5.705 9.912 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.997 3.995 9.364 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.324 8.197 6.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.101 3.782 7.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.265 7.172 4.905 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.141 4.994 5.641 1.00 0.00 H new ATOM 66 N SER A 5 3.660 9.228 9.867 1.00 0.00 N ATOM 67 CA SER A 5 3.018 9.550 11.142 1.00 0.00 C ATOM 68 C SER A 5 1.669 8.840 11.235 1.00 0.00 C ATOM 69 O SER A 5 1.399 8.125 12.201 1.00 0.00 O ATOM 70 CB SER A 5 2.826 11.063 11.282 1.00 0.00 C ATOM 71 OG SER A 5 2.304 11.399 12.557 1.00 0.00 O ATOM 0 H SER A 5 3.845 10.035 9.271 1.00 0.00 H new ATOM 0 HA SER A 5 3.661 9.208 11.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.780 11.568 11.132 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.151 11.420 10.504 1.00 0.00 H new ATOM 0 HG SER A 5 2.193 12.371 12.619 1.00 0.00 H new ATOM 77 N LEU A 6 0.830 9.042 10.218 1.00 0.00 N ATOM 78 CA LEU A 6 -0.490 8.422 10.175 1.00 0.00 C ATOM 79 C LEU A 6 -0.444 7.147 9.340 1.00 0.00 C ATOM 80 O LEU A 6 -0.649 7.176 8.124 1.00 0.00 O ATOM 81 CB LEU A 6 -1.524 9.400 9.605 1.00 0.00 C ATOM 82 CG LEU A 6 -1.778 10.646 10.459 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.714 11.605 9.741 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.350 10.258 11.816 1.00 0.00 C ATOM 0 H LEU A 6 1.044 9.631 9.413 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.787 8.163 11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.195 9.717 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.468 8.871 9.472 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.825 11.151 10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.882 12.484 10.364 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.266 11.911 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.665 11.109 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.524 11.157 12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.292 9.728 11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.644 9.611 12.337 1.00 0.00 H new ATOM 96 N SER A 7 -0.159 6.030 10.004 1.00 0.00 N ATOM 97 CA SER A 7 -0.068 4.734 9.337 1.00 0.00 C ATOM 98 C SER A 7 -1.075 3.720 9.894 1.00 0.00 C ATOM 99 O SER A 7 -0.980 2.527 9.608 1.00 0.00 O ATOM 100 CB SER A 7 1.356 4.184 9.456 1.00 0.00 C ATOM 101 OG SER A 7 2.280 5.003 8.759 1.00 0.00 O ATOM 0 H SER A 7 0.014 5.997 11.009 1.00 0.00 H new ATOM 0 HA SER A 7 -0.315 4.889 8.287 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.639 4.124 10.507 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.392 3.170 9.058 1.00 0.00 H new ATOM 0 HG SER A 7 2.701 5.628 9.386 1.00 0.00 H new ATOM 107 N LYS A 8 -2.045 4.198 10.680 1.00 0.00 N ATOM 108 CA LYS A 8 -3.062 3.325 11.260 1.00 0.00 C ATOM 109 C LYS A 8 -4.402 3.463 10.527 1.00 0.00 C ATOM 110 O LYS A 8 -5.466 3.292 11.126 1.00 0.00 O ATOM 111 CB LYS A 8 -3.238 3.645 12.747 1.00 0.00 C ATOM 112 CG LYS A 8 -1.974 3.447 13.574 1.00 0.00 C ATOM 113 CD LYS A 8 -1.427 2.031 13.445 1.00 0.00 C ATOM 114 CE LYS A 8 -2.368 1.003 14.055 1.00 0.00 C ATOM 115 NZ LYS A 8 -1.843 -0.385 13.916 1.00 0.00 N ATOM 0 H LYS A 8 -2.144 5.183 10.927 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.726 2.294 11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.570 4.678 12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.029 3.015 13.153 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.215 4.160 13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.188 3.659 14.621 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.267 1.798 12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.456 1.971 13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.518 1.230 15.110 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.343 1.072 13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.001 -0.906 14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.337 -0.867 13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.824 -0.352 13.711 1.00 0.00 H new ATOM 129 N THR A 9 -4.343 3.757 9.225 1.00 0.00 N ATOM 130 CA THR A 9 -5.546 3.913 8.413 1.00 0.00 C ATOM 131 C THR A 9 -5.595 2.862 7.301 1.00 0.00 C ATOM 132 O THR A 9 -4.855 2.943 6.319 1.00 0.00 O ATOM 133 CB THR A 9 -5.639 5.330 7.799 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.697 5.383 6.832 1.00 0.00 O ATOM 135 CG2 THR A 9 -4.326 5.744 7.146 1.00 0.00 C ATOM 0 H THR A 9 -3.471 3.891 8.713 1.00 0.00 H new ATOM 0 HA THR A 9 -6.400 3.770 9.075 1.00 0.00 H new ATOM 0 HB THR A 9 -5.851 6.027 8.610 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.747 6.285 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.428 6.744 6.725 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.532 5.744 7.893 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.077 5.040 6.352 1.00 0.00 H new ATOM 143 N SER A 10 -6.470 1.869 7.471 1.00 0.00 N ATOM 144 CA SER A 10 -6.619 0.794 6.490 1.00 0.00 C ATOM 145 C SER A 10 -7.643 1.161 5.417 1.00 0.00 C ATOM 146 O SER A 10 -8.406 2.118 5.569 1.00 0.00 O ATOM 147 CB SER A 10 -7.036 -0.509 7.183 1.00 0.00 C ATOM 148 OG SER A 10 -8.256 -0.347 7.890 1.00 0.00 O ATOM 0 H SER A 10 -7.086 1.788 8.280 1.00 0.00 H new ATOM 0 HA SER A 10 -5.653 0.650 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.145 -1.300 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.252 -0.824 7.872 1.00 0.00 H new ATOM 0 HG SER A 10 -8.499 -1.193 8.321 1.00 0.00 H new ATOM 154 N MET A 11 -7.653 0.388 4.331 1.00 0.00 N ATOM 155 CA MET A 11 -8.580 0.616 3.226 1.00 0.00 C ATOM 156 C MET A 11 -9.196 -0.699 2.757 1.00 0.00 C ATOM 157 O MET A 11 -8.500 -1.707 2.625 1.00 0.00 O ATOM 158 CB MET A 11 -7.868 1.303 2.060 1.00 0.00 C ATOM 159 CG MET A 11 -8.750 1.503 0.837 1.00 0.00 C ATOM 160 SD MET A 11 -8.016 2.610 -0.382 1.00 0.00 S ATOM 161 CE MET A 11 -7.919 4.137 0.552 1.00 0.00 C ATOM 0 H MET A 11 -7.026 -0.405 4.194 1.00 0.00 H new ATOM 0 HA MET A 11 -9.378 1.267 3.584 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.498 2.273 2.393 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.998 0.710 1.777 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.944 0.536 0.373 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.713 1.904 1.151 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.550 4.935 -0.093 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.909 4.399 0.924 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.238 4.006 1.393 1.00 0.00 H new ATOM 171 N THR A 12 -10.502 -0.676 2.499 1.00 0.00 N ATOM 172 CA THR A 12 -11.210 -1.867 2.048 1.00 0.00 C ATOM 173 C THR A 12 -11.157 -2.000 0.527 1.00 0.00 C ATOM 174 O THR A 12 -11.643 -1.136 -0.204 1.00 0.00 O ATOM 175 CB THR A 12 -12.684 -1.860 2.508 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.751 -1.782 3.938 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.412 -3.111 2.034 1.00 0.00 C ATOM 0 H THR A 12 -11.088 0.153 2.595 1.00 0.00 H new ATOM 0 HA THR A 12 -10.705 -2.721 2.499 1.00 0.00 H new ATOM 0 HB THR A 12 -13.170 -0.988 2.069 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.689 -1.776 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.448 -3.079 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.387 -3.156 0.945 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.923 -3.994 2.445 1.00 0.00 H new ATOM 185 N PHE A 13 -10.554 -3.094 0.069 1.00 0.00 N ATOM 186 CA PHE A 13 -10.437 -3.386 -1.354 1.00 0.00 C ATOM 187 C PHE A 13 -11.582 -4.285 -1.798 1.00 0.00 C ATOM 188 O PHE A 13 -12.039 -5.144 -1.041 1.00 0.00 O ATOM 189 CB PHE A 13 -9.093 -4.060 -1.651 1.00 0.00 C ATOM 190 CG PHE A 13 -7.939 -3.100 -1.730 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.041 -1.927 -2.463 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.752 -3.373 -1.072 1.00 0.00 C ATOM 193 CE1 PHE A 13 -6.980 -1.047 -2.537 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.688 -2.497 -1.145 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.802 -1.332 -1.878 1.00 0.00 C ATOM 0 H PHE A 13 -10.134 -3.800 0.673 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.487 -2.449 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.888 -4.798 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.169 -4.601 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.961 -1.700 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.658 -4.281 -0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.072 -0.136 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.766 -2.722 -0.629 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.970 -0.645 -1.935 1.00 0.00 H new ATOM 205 N GLN A 14 -12.039 -4.080 -3.032 1.00 0.00 N ATOM 206 CA GLN A 14 -13.131 -4.869 -3.587 1.00 0.00 C ATOM 207 C GLN A 14 -12.643 -5.686 -4.781 1.00 0.00 C ATOM 208 O GLN A 14 -12.222 -5.124 -5.796 1.00 0.00 O ATOM 209 CB GLN A 14 -14.288 -3.958 -4.007 1.00 0.00 C ATOM 210 CG GLN A 14 -15.501 -4.715 -4.528 1.00 0.00 C ATOM 211 CD GLN A 14 -16.592 -3.792 -5.040 1.00 0.00 C ATOM 212 OE1 GLN A 14 -17.468 -3.372 -4.286 1.00 0.00 O ATOM 213 NE2 GLN A 14 -16.545 -3.474 -6.329 1.00 0.00 N ATOM 0 H GLN A 14 -11.667 -3.372 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.488 -5.554 -2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.589 -3.350 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.938 -3.273 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.190 -5.383 -5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.904 -5.340 -3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.800 -3.845 -6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.254 -2.859 -6.729 1.00 0.00 H new ATOM 222 N PRO A 15 -12.685 -7.027 -4.671 1.00 0.00 N ATOM 223 CA PRO A 15 -12.245 -7.930 -5.743 1.00 0.00 C ATOM 224 C PRO A 15 -13.037 -7.736 -7.032 1.00 0.00 C ATOM 225 O PRO A 15 -14.217 -7.380 -7.000 1.00 0.00 O ATOM 226 CB PRO A 15 -12.502 -9.327 -5.172 1.00 0.00 C ATOM 227 CG PRO A 15 -12.584 -9.139 -3.700 1.00 0.00 C ATOM 228 CD PRO A 15 -13.159 -7.770 -3.490 1.00 0.00 C ATOM 0 HA PRO A 15 -11.205 -7.750 -6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.426 -9.750 -5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.698 -10.014 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.215 -9.902 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.599 -9.223 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.248 -7.793 -3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.805 -7.321 -2.562 1.00 0.00 H new ATOM 236 N LYS A 16 -12.378 -7.975 -8.165 1.00 0.00 N ATOM 237 CA LYS A 16 -13.022 -7.843 -9.468 1.00 0.00 C ATOM 238 C LYS A 16 -13.935 -9.039 -9.741 1.00 0.00 C ATOM 239 O LYS A 16 -15.026 -8.881 -10.290 1.00 0.00 O ATOM 240 CB LYS A 16 -11.973 -7.719 -10.578 1.00 0.00 C ATOM 241 CG LYS A 16 -11.128 -6.457 -10.487 1.00 0.00 C ATOM 242 CD LYS A 16 -11.973 -5.201 -10.623 1.00 0.00 C ATOM 243 CE LYS A 16 -11.110 -3.949 -10.588 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.928 -2.704 -10.603 1.00 0.00 N ATOM 0 H LYS A 16 -11.400 -8.261 -8.205 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.627 -6.937 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.316 -8.588 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.476 -7.739 -11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.602 -6.440 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.369 -6.471 -11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.531 -5.235 -11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.705 -5.163 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.488 -3.963 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.436 -3.950 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.300 -1.876 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.503 -2.677 -11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.553 -2.689 -9.772 1.00 0.00 H new ATOM 258 N LYS A 17 -13.477 -10.233 -9.352 1.00 0.00 N ATOM 259 CA LYS A 17 -14.249 -11.460 -9.550 1.00 0.00 C ATOM 260 C LYS A 17 -14.692 -12.053 -8.213 1.00 0.00 C ATOM 261 O LYS A 17 -14.211 -11.649 -7.150 1.00 0.00 O ATOM 262 CB LYS A 17 -13.425 -12.493 -10.328 1.00 0.00 C ATOM 263 CG LYS A 17 -12.904 -11.988 -11.668 1.00 0.00 C ATOM 264 CD LYS A 17 -11.577 -11.260 -11.516 1.00 0.00 C ATOM 265 CE LYS A 17 -11.158 -10.588 -12.814 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.828 -9.927 -12.695 1.00 0.00 N ATOM 0 H LYS A 17 -12.575 -10.374 -8.898 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.138 -11.204 -10.127 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.579 -12.804 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.038 -13.378 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.782 -12.828 -12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.638 -11.318 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.660 -10.512 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.807 -11.966 -11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.124 -11.330 -13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.907 -9.848 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.814 -9.068 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.655 -9.672 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.086 -10.579 -13.020 1.00 0.00 H new ATOM 280 N ALA A 18 -15.609 -13.020 -8.277 1.00 0.00 N ATOM 281 CA ALA A 18 -16.125 -13.681 -7.078 1.00 0.00 C ATOM 282 C ALA A 18 -15.050 -14.524 -6.393 1.00 0.00 C ATOM 283 O ALA A 18 -14.971 -14.558 -5.164 1.00 0.00 O ATOM 284 CB ALA A 18 -17.327 -14.546 -7.430 1.00 0.00 C ATOM 0 H ALA A 18 -16.010 -13.363 -9.150 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.434 -12.905 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.702 -15.032 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.111 -13.922 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.030 -15.304 -8.155 1.00 0.00 H new ATOM 290 N SER A 19 -14.225 -15.205 -7.195 1.00 0.00 N ATOM 291 CA SER A 19 -13.151 -16.050 -6.667 1.00 0.00 C ATOM 292 C SER A 19 -12.250 -15.265 -5.710 1.00 0.00 C ATOM 293 O SER A 19 -11.871 -15.771 -4.652 1.00 0.00 O ATOM 294 CB SER A 19 -12.315 -16.628 -7.813 1.00 0.00 C ATOM 295 OG SER A 19 -11.317 -17.508 -7.325 1.00 0.00 O ATOM 0 H SER A 19 -14.281 -15.187 -8.213 1.00 0.00 H new ATOM 0 HA SER A 19 -13.611 -16.867 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.964 -17.160 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.847 -15.817 -8.371 1.00 0.00 H new ATOM 0 HG SER A 19 -10.799 -17.864 -8.077 1.00 0.00 H new ATOM 301 N LEU A 20 -11.914 -14.031 -6.089 1.00 0.00 N ATOM 302 CA LEU A 20 -11.062 -13.176 -5.267 1.00 0.00 C ATOM 303 C LEU A 20 -11.792 -12.730 -3.997 1.00 0.00 C ATOM 304 O LEU A 20 -13.022 -12.662 -3.966 1.00 0.00 O ATOM 305 CB LEU A 20 -10.614 -11.955 -6.073 1.00 0.00 C ATOM 306 CG LEU A 20 -9.797 -12.260 -7.333 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.598 -10.996 -8.153 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.453 -12.873 -6.966 1.00 0.00 C ATOM 0 H LEU A 20 -12.221 -13.602 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.185 -13.752 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.499 -11.388 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.021 -11.310 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.349 -12.982 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.016 -11.229 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.569 -10.597 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.067 -10.255 -7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.888 -13.082 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.893 -12.176 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.614 -13.801 -6.417 1.00 0.00 H new ATOM 320 N GLN A 21 -11.019 -12.423 -2.954 1.00 0.00 N ATOM 321 CA GLN A 21 -11.582 -11.993 -1.673 1.00 0.00 C ATOM 322 C GLN A 21 -11.120 -10.584 -1.305 1.00 0.00 C ATOM 323 O GLN A 21 -9.954 -10.235 -1.498 1.00 0.00 O ATOM 324 CB GLN A 21 -11.193 -12.978 -0.568 1.00 0.00 C ATOM 325 CG GLN A 21 -11.825 -14.352 -0.730 1.00 0.00 C ATOM 326 CD GLN A 21 -11.443 -15.307 0.385 1.00 0.00 C ATOM 327 OE1 GLN A 21 -12.107 -15.364 1.420 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.371 -16.066 0.179 1.00 0.00 N ATOM 0 H GLN A 21 -10.000 -12.464 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.667 -11.976 -1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.108 -13.085 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.486 -12.564 0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.910 -14.248 -0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.521 -14.777 -1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.850 -15.986 -0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.070 -16.728 0.894 1.00 0.00 H new ATOM 337 N PRO A 22 -12.037 -9.756 -0.757 1.00 0.00 N ATOM 338 CA PRO A 22 -11.734 -8.371 -0.362 1.00 0.00 C ATOM 339 C PRO A 22 -10.566 -8.276 0.618 1.00 0.00 C ATOM 340 O PRO A 22 -10.299 -9.210 1.377 1.00 0.00 O ATOM 341 CB PRO A 22 -13.030 -7.890 0.300 1.00 0.00 C ATOM 342 CG PRO A 22 -14.093 -8.775 -0.252 1.00 0.00 C ATOM 343 CD PRO A 22 -13.441 -10.110 -0.475 1.00 0.00 C ATOM 0 HA PRO A 22 -11.429 -7.770 -1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.973 -7.971 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.227 -6.843 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.930 -8.860 0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.491 -8.374 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.526 -10.751 0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.896 -10.646 -1.308 1.00 0.00 H new ATOM 351 N LEU A 23 -9.876 -7.135 0.595 1.00 0.00 N ATOM 352 CA LEU A 23 -8.731 -6.908 1.474 1.00 0.00 C ATOM 353 C LEU A 23 -8.927 -5.656 2.322 1.00 0.00 C ATOM 354 O LEU A 23 -9.612 -4.722 1.913 1.00 0.00 O ATOM 355 CB LEU A 23 -7.454 -6.773 0.645 1.00 0.00 C ATOM 356 CG LEU A 23 -6.151 -6.868 1.442 1.00 0.00 C ATOM 357 CD1 LEU A 23 -5.995 -8.254 2.047 1.00 0.00 C ATOM 358 CD2 LEU A 23 -4.961 -6.535 0.556 1.00 0.00 C ATOM 0 H LEU A 23 -10.091 -6.353 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.644 -7.765 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.452 -7.550 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.476 -5.815 0.126 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.190 -6.142 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.063 -8.302 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.833 -8.456 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.977 -8.999 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.042 -6.607 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.919 -7.238 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.067 -5.521 0.170 1.00 0.00 H new ATOM 370 N THR A 24 -8.320 -5.646 3.507 1.00 0.00 N ATOM 371 CA THR A 24 -8.419 -4.499 4.407 1.00 0.00 C ATOM 372 C THR A 24 -7.195 -4.405 5.316 1.00 0.00 C ATOM 373 O THR A 24 -7.205 -4.902 6.445 1.00 0.00 O ATOM 374 CB THR A 24 -9.698 -4.553 5.273 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.856 -4.700 4.441 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.834 -3.286 6.110 1.00 0.00 C ATOM 0 H THR A 24 -7.756 -6.417 3.866 1.00 0.00 H new ATOM 0 HA THR A 24 -8.468 -3.612 3.776 1.00 0.00 H new ATOM 0 HB THR A 24 -9.620 -5.412 5.939 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.659 -4.734 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.741 -3.344 6.713 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.968 -3.188 6.765 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.890 -2.419 5.451 1.00 0.00 H new ATOM 384 N ILE A 25 -6.135 -3.778 4.809 1.00 0.00 N ATOM 385 CA ILE A 25 -4.895 -3.633 5.567 1.00 0.00 C ATOM 386 C ILE A 25 -4.414 -2.178 5.580 1.00 0.00 C ATOM 387 O ILE A 25 -4.769 -1.389 4.703 1.00 0.00 O ATOM 388 CB ILE A 25 -3.792 -4.552 4.994 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.624 -4.666 5.975 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.314 -4.043 3.640 1.00 0.00 C ATOM 391 CD1 ILE A 25 -1.794 -5.915 5.777 1.00 0.00 C ATOM 0 H ILE A 25 -6.111 -3.363 3.878 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.103 -3.931 6.595 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.215 -5.546 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.982 -3.791 5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.012 -4.654 6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.538 -4.705 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.152 -4.022 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.910 -3.037 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.983 -5.932 6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.423 -6.795 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.377 -5.919 4.770 1.00 0.00 H new ATOM 403 N SER A 26 -3.601 -1.835 6.583 1.00 0.00 N ATOM 404 CA SER A 26 -3.080 -0.477 6.727 1.00 0.00 C ATOM 405 C SER A 26 -1.555 -0.428 6.585 1.00 0.00 C ATOM 406 O SER A 26 -0.891 -1.460 6.483 1.00 0.00 O ATOM 407 CB SER A 26 -3.493 0.092 8.088 1.00 0.00 C ATOM 408 OG SER A 26 -3.144 1.459 8.201 1.00 0.00 O ATOM 0 H SER A 26 -3.290 -2.482 7.308 1.00 0.00 H new ATOM 0 HA SER A 26 -3.504 0.127 5.925 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.569 -0.023 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.010 -0.476 8.884 1.00 0.00 H new ATOM 0 HG SER A 26 -2.350 1.548 8.768 1.00 0.00 H new ATOM 414 N LEU A 27 -1.021 0.796 6.581 1.00 0.00 N ATOM 415 CA LEU A 27 0.418 1.041 6.464 1.00 0.00 C ATOM 416 C LEU A 27 1.203 0.364 7.592 1.00 0.00 C ATOM 417 O LEU A 27 1.984 -0.556 7.349 1.00 0.00 O ATOM 418 CB LEU A 27 0.689 2.552 6.488 1.00 0.00 C ATOM 419 CG LEU A 27 -0.047 3.372 5.421 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.376 4.831 5.484 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.204 2.802 4.031 1.00 0.00 C ATOM 0 H LEU A 27 -1.577 1.648 6.659 1.00 0.00 H new ATOM 0 HA LEU A 27 0.752 0.615 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.415 2.937 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.761 2.713 6.370 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.116 3.313 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.156 5.397 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.139 5.236 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.449 4.906 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.328 3.400 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.272 2.825 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.152 1.773 3.990 1.00 0.00 H new ATOM 433 N ASP A 28 0.974 0.816 8.825 1.00 0.00 N ATOM 434 CA ASP A 28 1.673 0.283 9.996 1.00 0.00 C ATOM 435 C ASP A 28 1.421 -1.214 10.171 1.00 0.00 C ATOM 436 O ASP A 28 2.317 -1.954 10.583 1.00 0.00 O ATOM 437 CB ASP A 28 1.236 1.037 11.257 1.00 0.00 C ATOM 438 CG ASP A 28 1.982 0.584 12.499 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.116 1.060 12.718 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.431 -0.245 13.254 1.00 0.00 O ATOM 0 H ASP A 28 0.305 1.555 9.040 1.00 0.00 H new ATOM 0 HA ASP A 28 2.742 0.426 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.397 2.105 11.111 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.166 0.894 11.408 1.00 0.00 H new ATOM 445 N GLU A 29 0.205 -1.654 9.854 1.00 0.00 N ATOM 446 CA GLU A 29 -0.159 -3.062 9.984 1.00 0.00 C ATOM 447 C GLU A 29 0.379 -3.910 8.820 1.00 0.00 C ATOM 448 O GLU A 29 0.139 -5.119 8.778 1.00 0.00 O ATOM 449 CB GLU A 29 -1.685 -3.199 10.073 1.00 0.00 C ATOM 450 CG GLU A 29 -2.159 -4.579 10.510 1.00 0.00 C ATOM 451 CD GLU A 29 -1.556 -5.015 11.833 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.100 -4.631 12.890 1.00 0.00 O ATOM 453 OE2 GLU A 29 -0.541 -5.743 11.811 1.00 0.00 O ATOM 0 H GLU A 29 -0.544 -1.056 9.506 1.00 0.00 H new ATOM 0 HA GLU A 29 0.300 -3.437 10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.066 -2.456 10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.118 -2.969 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.246 -4.575 10.595 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.902 -5.307 9.741 1.00 0.00 H new ATOM 460 N LEU A 30 1.113 -3.294 7.881 1.00 0.00 N ATOM 461 CA LEU A 30 1.649 -4.039 6.741 1.00 0.00 C ATOM 462 C LEU A 30 3.142 -3.770 6.490 1.00 0.00 C ATOM 463 O LEU A 30 3.683 -4.197 5.469 1.00 0.00 O ATOM 464 CB LEU A 30 0.830 -3.729 5.483 1.00 0.00 C ATOM 465 CG LEU A 30 1.253 -4.474 4.209 1.00 0.00 C ATOM 466 CD1 LEU A 30 1.449 -5.957 4.487 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.222 -4.270 3.111 1.00 0.00 C ATOM 0 H LEU A 30 1.344 -2.300 7.890 1.00 0.00 H new ATOM 0 HA LEU A 30 1.565 -5.098 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.215 -3.961 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.887 -2.658 5.290 1.00 0.00 H new ATOM 0 HG LEU A 30 2.206 -4.064 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.748 -6.463 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.224 -6.086 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.515 -6.386 4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.535 -4.804 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.743 -4.653 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.133 -3.207 2.888 1.00 0.00 H new ATOM 479 N PHE A 31 3.819 -3.085 7.420 1.00 0.00 N ATOM 480 CA PHE A 31 5.250 -2.822 7.238 1.00 0.00 C ATOM 481 C PHE A 31 6.037 -3.146 8.507 1.00 0.00 C ATOM 482 O PHE A 31 5.590 -2.853 9.619 1.00 0.00 O ATOM 483 CB PHE A 31 5.516 -1.377 6.797 1.00 0.00 C ATOM 484 CG PHE A 31 4.758 -0.958 5.566 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.827 -1.704 4.401 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.976 0.185 5.578 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.129 -1.319 3.273 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.278 0.575 4.452 1.00 0.00 C ATOM 489 CZ PHE A 31 3.353 -0.178 3.299 1.00 0.00 C ATOM 0 H PHE A 31 3.415 -2.714 8.280 1.00 0.00 H new ATOM 0 HA PHE A 31 5.594 -3.480 6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.257 -0.706 7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.583 -1.256 6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.434 -2.597 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.911 0.778 6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.190 -1.910 2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.673 1.470 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.806 0.125 2.418 1.00 0.00 H new ATOM 499 N SER A 32 7.211 -3.753 8.330 1.00 0.00 N ATOM 500 CA SER A 32 8.068 -4.126 9.456 1.00 0.00 C ATOM 501 C SER A 32 9.520 -3.691 9.220 1.00 0.00 C ATOM 502 O SER A 32 10.438 -4.211 9.860 1.00 0.00 O ATOM 503 CB SER A 32 8.027 -5.646 9.642 1.00 0.00 C ATOM 504 OG SER A 32 6.703 -6.097 9.877 1.00 0.00 O ATOM 0 H SER A 32 7.591 -3.997 7.415 1.00 0.00 H new ATOM 0 HA SER A 32 7.696 -3.621 10.348 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.429 -6.135 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.665 -5.930 10.479 1.00 0.00 H new ATOM 0 HG SER A 32 6.704 -7.070 9.991 1.00 0.00 H new ATOM 510 N SER A 33 9.725 -2.729 8.315 1.00 0.00 N ATOM 511 CA SER A 33 11.066 -2.239 8.005 1.00 0.00 C ATOM 512 C SER A 33 11.022 -0.800 7.496 1.00 0.00 C ATOM 513 O SER A 33 10.220 -0.471 6.619 1.00 0.00 O ATOM 514 CB SER A 33 11.741 -3.140 6.967 1.00 0.00 C ATOM 515 OG SER A 33 11.890 -4.464 7.451 1.00 0.00 O ATOM 0 H SER A 33 8.979 -2.277 7.787 1.00 0.00 H new ATOM 0 HA SER A 33 11.649 -2.260 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.149 -3.150 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.719 -2.733 6.710 1.00 0.00 H new ATOM 0 HG SER A 33 12.322 -5.016 6.766 1.00 0.00 H new ATOM 521 N ARG A 34 11.885 0.054 8.048 1.00 0.00 N ATOM 522 CA ARG A 34 11.944 1.457 7.636 1.00 0.00 C ATOM 523 C ARG A 34 12.361 1.576 6.169 1.00 0.00 C ATOM 524 O ARG A 34 11.826 2.405 5.431 1.00 0.00 O ATOM 525 CB ARG A 34 12.905 2.252 8.532 1.00 0.00 C ATOM 526 CG ARG A 34 14.321 1.693 8.579 1.00 0.00 C ATOM 527 CD ARG A 34 15.215 2.531 9.479 1.00 0.00 C ATOM 528 NE ARG A 34 16.561 1.970 9.600 1.00 0.00 N ATOM 529 CZ ARG A 34 17.606 2.635 10.104 1.00 0.00 C ATOM 530 NH1 ARG A 34 17.470 3.891 10.524 1.00 0.00 N ATOM 531 NH2 ARG A 34 18.793 2.043 10.187 1.00 0.00 N ATOM 0 H ARG A 34 12.550 -0.200 8.778 1.00 0.00 H new ATOM 0 HA ARG A 34 10.945 1.880 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.945 3.282 8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.503 2.277 9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.297 0.665 8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.737 1.666 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.280 3.544 9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.764 2.605 10.469 1.00 0.00 H new ATOM 0 HE ARG A 34 16.711 1.013 9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.563 4.354 10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.273 4.390 10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.907 1.081 9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 34 19.590 2.550 10.571 1.00 0.00 H new ATOM 545 N GLY A 35 13.319 0.740 5.754 1.00 0.00 N ATOM 546 CA GLY A 35 13.777 0.756 4.374 1.00 0.00 C ATOM 547 C GLY A 35 12.720 0.236 3.418 1.00 0.00 C ATOM 548 O GLY A 35 12.567 0.763 2.315 1.00 0.00 O ATOM 0 H GLY A 35 13.783 0.055 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.050 1.774 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.678 0.149 4.284 1.00 0.00 H new ATOM 552 N GLU A 36 11.992 -0.803 3.839 1.00 0.00 N ATOM 553 CA GLU A 36 10.927 -1.372 3.018 1.00 0.00 C ATOM 554 C GLU A 36 9.865 -0.311 2.741 1.00 0.00 C ATOM 555 O GLU A 36 9.332 -0.231 1.634 1.00 0.00 O ATOM 556 CB GLU A 36 10.298 -2.586 3.712 1.00 0.00 C ATOM 557 CG GLU A 36 9.221 -3.276 2.888 1.00 0.00 C ATOM 558 CD GLU A 36 9.723 -3.755 1.537 1.00 0.00 C ATOM 559 OE1 GLU A 36 10.286 -4.868 1.474 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.554 -3.017 0.543 1.00 0.00 O ATOM 0 H GLU A 36 12.122 -1.263 4.740 1.00 0.00 H new ATOM 0 HA GLU A 36 11.354 -1.705 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.082 -3.307 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.867 -2.267 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.833 -4.127 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.390 -2.587 2.737 1.00 0.00 H new ATOM 567 N PHE A 37 9.567 0.503 3.762 1.00 0.00 N ATOM 568 CA PHE A 37 8.595 1.586 3.632 1.00 0.00 C ATOM 569 C PHE A 37 9.002 2.512 2.485 1.00 0.00 C ATOM 570 O PHE A 37 8.164 2.951 1.698 1.00 0.00 O ATOM 571 CB PHE A 37 8.502 2.374 4.945 1.00 0.00 C ATOM 572 CG PHE A 37 7.311 3.292 5.030 1.00 0.00 C ATOM 573 CD1 PHE A 37 7.371 4.578 4.518 1.00 0.00 C ATOM 574 CD2 PHE A 37 6.136 2.866 5.628 1.00 0.00 C ATOM 575 CE1 PHE A 37 6.280 5.423 4.603 1.00 0.00 C ATOM 576 CE2 PHE A 37 5.043 3.706 5.713 1.00 0.00 C ATOM 577 CZ PHE A 37 5.115 4.986 5.200 1.00 0.00 C ATOM 0 H PHE A 37 9.989 0.428 4.688 1.00 0.00 H new ATOM 0 HA PHE A 37 7.616 1.161 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.464 1.670 5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.411 2.963 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.280 4.924 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.074 1.866 6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.339 6.424 4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.132 3.362 6.181 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.261 5.644 5.266 1.00 0.00 H new ATOM 587 N ILE A 38 10.299 2.821 2.417 1.00 0.00 N ATOM 588 CA ILE A 38 10.842 3.663 1.356 1.00 0.00 C ATOM 589 C ILE A 38 10.550 3.079 -0.027 1.00 0.00 C ATOM 590 O ILE A 38 10.014 3.773 -0.893 1.00 0.00 O ATOM 591 CB ILE A 38 12.371 3.847 1.514 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.695 4.522 2.852 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.938 4.661 0.356 1.00 0.00 C ATOM 594 CD1 ILE A 38 11.979 5.840 3.062 1.00 0.00 C ATOM 0 H ILE A 38 10.994 2.497 3.090 1.00 0.00 H new ATOM 0 HA ILE A 38 10.352 4.633 1.443 1.00 0.00 H new ATOM 0 HB ILE A 38 12.837 2.862 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.432 3.843 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.770 4.690 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.014 4.779 0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.741 4.144 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.465 5.643 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.259 6.256 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.260 6.537 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.902 5.677 3.035 1.00 0.00 H new ATOM 606 N SER A 39 10.903 1.801 -0.231 1.00 0.00 N ATOM 607 CA SER A 39 10.680 1.147 -1.523 1.00 0.00 C ATOM 608 C SER A 39 9.198 1.189 -1.892 1.00 0.00 C ATOM 609 O SER A 39 8.824 1.839 -2.869 1.00 0.00 O ATOM 610 CB SER A 39 11.194 -0.296 -1.500 1.00 0.00 C ATOM 611 OG SER A 39 11.018 -0.924 -2.759 1.00 0.00 O ATOM 0 H SER A 39 11.339 1.208 0.475 1.00 0.00 H new ATOM 0 HA SER A 39 11.240 1.691 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.250 -0.304 -1.231 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.665 -0.861 -0.732 1.00 0.00 H new ATOM 0 HG SER A 39 11.356 -1.843 -2.716 1.00 0.00 H new ATOM 617 N VAL A 40 8.367 0.469 -1.122 1.00 0.00 N ATOM 618 CA VAL A 40 6.922 0.390 -1.374 1.00 0.00 C ATOM 619 C VAL A 40 6.318 1.676 -1.941 1.00 0.00 C ATOM 620 O VAL A 40 5.441 1.608 -2.804 1.00 0.00 O ATOM 621 CB VAL A 40 6.129 -0.036 -0.116 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.491 -1.458 0.290 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.368 0.926 1.037 1.00 0.00 C ATOM 0 H VAL A 40 8.676 -0.071 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 40 6.827 -0.381 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 40 5.068 -0.006 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.923 -1.739 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.253 -2.141 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.557 -1.513 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.797 0.600 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.429 0.941 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.049 1.927 0.748 1.00 0.00 H new ATOM 633 N GLY A 41 6.770 2.843 -1.471 1.00 0.00 N ATOM 634 CA GLY A 41 6.234 4.099 -1.975 1.00 0.00 C ATOM 635 C GLY A 41 5.848 5.053 -0.856 1.00 0.00 C ATOM 636 O GLY A 41 4.821 5.726 -0.939 1.00 0.00 O ATOM 0 H GLY A 41 7.492 2.939 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.975 4.576 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.360 3.896 -2.594 1.00 0.00 H new ATOM 640 N GLY A 42 6.684 5.126 0.186 1.00 0.00 N ATOM 641 CA GLY A 42 6.394 5.993 1.315 1.00 0.00 C ATOM 642 C GLY A 42 7.443 7.064 1.532 1.00 0.00 C ATOM 643 O GLY A 42 8.470 6.819 2.166 1.00 0.00 O ATOM 0 H GLY A 42 7.554 4.599 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.426 6.469 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.311 5.387 2.217 1.00 0.00 H new ATOM 647 N ASP A 43 7.180 8.255 1.000 1.00 0.00 N ATOM 648 CA ASP A 43 8.068 9.398 1.190 1.00 0.00 C ATOM 649 C ASP A 43 7.586 10.179 2.414 1.00 0.00 C ATOM 650 O ASP A 43 8.144 10.037 3.503 1.00 0.00 O ATOM 651 CB ASP A 43 8.083 10.286 -0.059 1.00 0.00 C ATOM 652 CG ASP A 43 8.678 9.582 -1.265 1.00 0.00 C ATOM 653 OD1 ASP A 43 7.922 8.899 -1.989 1.00 0.00 O ATOM 654 OD2 ASP A 43 9.901 9.714 -1.486 1.00 0.00 O ATOM 0 H ASP A 43 6.356 8.454 0.432 1.00 0.00 H new ATOM 0 HA ASP A 43 9.090 9.055 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.065 10.599 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.655 11.190 0.149 1.00 0.00 H new ATOM 659 N GLY A 44 6.549 11.001 2.235 1.00 0.00 N ATOM 660 CA GLY A 44 6.019 11.785 3.340 1.00 0.00 C ATOM 661 C GLY A 44 4.594 12.235 3.100 1.00 0.00 C ATOM 662 O GLY A 44 3.667 11.758 3.753 1.00 0.00 O ATOM 0 H GLY A 44 6.069 11.136 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.061 11.193 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.651 12.659 3.497 1.00 0.00 H new ATOM 666 N ARG A 45 4.420 13.160 2.161 1.00 0.00 N ATOM 667 CA ARG A 45 3.098 13.674 1.830 1.00 0.00 C ATOM 668 C ARG A 45 2.406 12.771 0.813 1.00 0.00 C ATOM 669 O ARG A 45 2.584 12.928 -0.397 1.00 0.00 O ATOM 670 CB ARG A 45 3.204 15.104 1.292 1.00 0.00 C ATOM 671 CG ARG A 45 3.424 16.148 2.378 1.00 0.00 C ATOM 672 CD ARG A 45 4.659 15.850 3.216 1.00 0.00 C ATOM 673 NE ARG A 45 4.930 16.914 4.184 1.00 0.00 N ATOM 674 CZ ARG A 45 5.265 16.707 5.462 1.00 0.00 C ATOM 675 NH1 ARG A 45 5.393 15.472 5.943 1.00 0.00 N ATOM 676 NH2 ARG A 45 5.479 17.746 6.262 1.00 0.00 N ATOM 0 H ARG A 45 5.179 13.568 1.616 1.00 0.00 H new ATOM 0 HA ARG A 45 2.496 13.687 2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.026 15.155 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.293 15.346 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.526 17.132 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.548 16.187 3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.521 14.906 3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.521 15.727 2.561 1.00 0.00 H new ATOM 0 HE ARG A 45 4.858 17.879 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.235 14.669 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.649 15.329 6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.387 18.695 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.735 17.594 7.238 1.00 0.00 H new ATOM 690 N MET A 46 1.622 11.817 1.317 1.00 0.00 N ATOM 691 CA MET A 46 0.899 10.885 0.457 1.00 0.00 C ATOM 692 C MET A 46 -0.442 11.480 0.032 1.00 0.00 C ATOM 693 O MET A 46 -0.899 12.472 0.604 1.00 0.00 O ATOM 694 CB MET A 46 0.682 9.551 1.177 1.00 0.00 C ATOM 695 CG MET A 46 0.639 8.353 0.242 1.00 0.00 C ATOM 696 SD MET A 46 2.202 7.453 0.184 1.00 0.00 S ATOM 697 CE MET A 46 3.306 8.714 -0.451 1.00 0.00 C ATOM 0 H MET A 46 1.473 11.671 2.315 1.00 0.00 H new ATOM 0 HA MET A 46 1.498 10.706 -0.436 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.482 9.406 1.903 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.252 9.598 1.737 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.153 7.676 0.563 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.382 8.691 -0.762 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.281 8.273 -0.659 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.893 9.130 -1.370 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.417 9.507 0.289 1.00 0.00 H new ATOM 707 N SER A 47 -1.071 10.869 -0.969 1.00 0.00 N ATOM 708 CA SER A 47 -2.351 11.353 -1.472 1.00 0.00 C ATOM 709 C SER A 47 -3.532 10.716 -0.741 1.00 0.00 C ATOM 710 O SER A 47 -4.206 11.370 0.056 1.00 0.00 O ATOM 711 CB SER A 47 -2.466 11.090 -2.978 1.00 0.00 C ATOM 712 OG SER A 47 -3.669 11.627 -3.501 1.00 0.00 O ATOM 0 H SER A 47 -0.715 10.040 -1.446 1.00 0.00 H new ATOM 0 HA SER A 47 -2.386 12.427 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.613 11.532 -3.493 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.431 10.017 -3.166 1.00 0.00 H new ATOM 0 HG SER A 47 -3.717 11.447 -4.463 1.00 0.00 H new ATOM 718 N HIS A 48 -3.765 9.433 -1.018 1.00 0.00 N ATOM 719 CA HIS A 48 -4.892 8.690 -0.458 1.00 0.00 C ATOM 720 C HIS A 48 -4.895 7.260 -0.995 1.00 0.00 C ATOM 721 O HIS A 48 -4.911 6.304 -0.218 1.00 0.00 O ATOM 722 CB HIS A 48 -6.205 9.386 -0.843 1.00 0.00 C ATOM 723 CG HIS A 48 -7.435 8.629 -0.444 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.233 8.997 0.619 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.007 7.521 -0.973 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.239 8.146 0.726 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.125 7.242 -0.228 1.00 0.00 N ATOM 0 H HIS A 48 -3.175 8.879 -1.639 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.797 8.662 0.627 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.231 10.372 -0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.220 9.541 -1.922 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.649 6.961 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.022 8.184 1.469 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.764 6.463 -0.386 1.00 0.00 H new ATOM 736 N LYS A 49 -4.878 7.117 -2.318 1.00 0.00 N ATOM 737 CA LYS A 49 -4.834 5.802 -2.951 1.00 0.00 C ATOM 738 C LYS A 49 -3.403 5.257 -2.948 1.00 0.00 C ATOM 739 O LYS A 49 -3.192 4.043 -2.955 1.00 0.00 O ATOM 740 CB LYS A 49 -5.344 5.907 -4.389 1.00 0.00 C ATOM 741 CG LYS A 49 -5.454 4.570 -5.105 1.00 0.00 C ATOM 742 CD LYS A 49 -6.537 3.684 -4.499 1.00 0.00 C ATOM 743 CE LYS A 49 -5.974 2.740 -3.443 1.00 0.00 C ATOM 744 NZ LYS A 49 -5.036 1.736 -4.024 1.00 0.00 N ATOM 0 H LYS A 49 -4.894 7.898 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.470 5.119 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.323 6.386 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.676 6.556 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.673 4.740 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.495 4.054 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.310 4.309 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.014 3.103 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.455 3.320 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.795 2.222 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.454 0.786 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.864 1.960 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.136 1.760 -3.504 1.00 0.00 H new ATOM 758 N GLU A 50 -2.423 6.167 -2.932 1.00 0.00 N ATOM 759 CA GLU A 50 -1.011 5.798 -2.942 1.00 0.00 C ATOM 760 C GLU A 50 -0.605 5.031 -1.683 1.00 0.00 C ATOM 761 O GLU A 50 -0.055 3.934 -1.780 1.00 0.00 O ATOM 762 CB GLU A 50 -0.145 7.055 -3.078 1.00 0.00 C ATOM 763 CG GLU A 50 -0.255 7.733 -4.435 1.00 0.00 C ATOM 764 CD GLU A 50 0.675 8.925 -4.568 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.289 10.030 -4.132 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.789 8.752 -5.106 1.00 0.00 O ATOM 0 H GLU A 50 -2.589 7.173 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.853 5.140 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.430 7.766 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.897 6.788 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.027 7.010 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.283 8.059 -4.592 1.00 0.00 H new ATOM 773 N ALA A 51 -0.887 5.608 -0.508 1.00 0.00 N ATOM 774 CA ALA A 51 -0.519 4.988 0.771 1.00 0.00 C ATOM 775 C ALA A 51 -0.912 3.515 0.821 1.00 0.00 C ATOM 776 O ALA A 51 -0.046 2.664 1.022 1.00 0.00 O ATOM 777 CB ALA A 51 -1.130 5.749 1.939 1.00 0.00 C ATOM 0 H ALA A 51 -1.368 6.503 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 51 0.566 5.040 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.843 5.270 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.769 6.778 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.216 5.745 1.848 1.00 0.00 H new ATOM 783 N ILE A 52 -2.194 3.201 0.645 1.00 0.00 N ATOM 784 CA ILE A 52 -2.621 1.803 0.712 1.00 0.00 C ATOM 785 C ILE A 52 -1.880 0.979 -0.339 1.00 0.00 C ATOM 786 O ILE A 52 -1.395 -0.115 -0.043 1.00 0.00 O ATOM 787 CB ILE A 52 -4.148 1.650 0.557 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.875 2.492 1.613 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.556 0.187 0.661 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.622 2.044 3.038 1.00 0.00 C ATOM 0 H ILE A 52 -2.938 3.874 0.460 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.368 1.427 1.703 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.434 2.011 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.566 3.532 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.947 2.457 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.637 0.102 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.063 -0.385 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.260 -0.205 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.170 2.689 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.958 1.014 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.556 2.106 3.255 1.00 0.00 H new ATOM 802 N LEU A 53 -1.807 1.501 -1.567 1.00 0.00 N ATOM 803 CA LEU A 53 -1.185 0.776 -2.679 1.00 0.00 C ATOM 804 C LEU A 53 0.211 0.239 -2.337 1.00 0.00 C ATOM 805 O LEU A 53 0.642 -0.767 -2.902 1.00 0.00 O ATOM 806 CB LEU A 53 -1.154 1.646 -3.937 1.00 0.00 C ATOM 807 CG LEU A 53 -0.739 0.943 -5.230 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.769 -0.100 -5.631 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.548 1.966 -6.341 1.00 0.00 C ATOM 0 H LEU A 53 -2.170 2.421 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.805 -0.099 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.146 2.075 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.470 2.477 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 53 0.208 0.431 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.453 -0.587 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.860 -0.844 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.734 0.383 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.253 1.456 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.483 2.501 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.229 2.675 -6.053 1.00 0.00 H new ATOM 821 N LEU A 54 0.917 0.916 -1.421 1.00 0.00 N ATOM 822 CA LEU A 54 2.251 0.484 -0.990 1.00 0.00 C ATOM 823 C LEU A 54 2.278 -1.008 -0.634 1.00 0.00 C ATOM 824 O LEU A 54 3.278 -1.690 -0.863 1.00 0.00 O ATOM 825 CB LEU A 54 2.698 1.297 0.230 1.00 0.00 C ATOM 826 CG LEU A 54 3.444 2.600 -0.074 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.586 3.531 -0.913 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.858 3.282 1.223 1.00 0.00 C ATOM 0 H LEU A 54 0.585 1.766 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 54 2.933 0.652 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.817 1.535 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.340 0.668 0.847 1.00 0.00 H new ATOM 0 HG LEU A 54 4.340 2.358 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.137 4.449 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.334 3.043 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.671 3.769 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.387 4.207 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.971 3.508 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.513 2.620 1.790 1.00 0.00 H new ATOM 840 N GLY A 55 1.167 -1.498 -0.066 1.00 0.00 N ATOM 841 CA GLY A 55 1.063 -2.896 0.333 1.00 0.00 C ATOM 842 C GLY A 55 1.500 -3.872 -0.746 1.00 0.00 C ATOM 843 O GLY A 55 2.244 -4.810 -0.462 1.00 0.00 O ATOM 0 H GLY A 55 0.333 -0.943 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.670 -3.057 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.030 -3.110 0.608 1.00 0.00 H new ATOM 847 N LEU A 56 1.027 -3.665 -1.978 1.00 0.00 N ATOM 848 CA LEU A 56 1.382 -4.543 -3.098 1.00 0.00 C ATOM 849 C LEU A 56 2.895 -4.725 -3.205 1.00 0.00 C ATOM 850 O LEU A 56 3.378 -5.843 -3.390 1.00 0.00 O ATOM 851 CB LEU A 56 0.837 -3.996 -4.420 1.00 0.00 C ATOM 852 CG LEU A 56 -0.660 -3.665 -4.434 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.125 -3.386 -5.855 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.467 -4.796 -3.813 1.00 0.00 C ATOM 0 H LEU A 56 0.399 -2.900 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 56 0.927 -5.514 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.393 -3.094 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.037 -4.726 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.822 -2.768 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.190 -3.152 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.570 -2.540 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.949 -4.265 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.526 -4.541 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.304 -5.713 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.149 -4.946 -2.781 1.00 0.00 H new ATOM 866 N ARG A 57 3.639 -3.623 -3.090 1.00 0.00 N ATOM 867 CA ARG A 57 5.100 -3.670 -3.170 1.00 0.00 C ATOM 868 C ARG A 57 5.691 -4.459 -1.998 1.00 0.00 C ATOM 869 O ARG A 57 6.749 -5.075 -2.130 1.00 0.00 O ATOM 870 CB ARG A 57 5.687 -2.255 -3.195 1.00 0.00 C ATOM 871 CG ARG A 57 5.426 -1.499 -4.490 1.00 0.00 C ATOM 872 CD ARG A 57 4.041 -0.869 -4.511 1.00 0.00 C ATOM 873 NE ARG A 57 3.872 0.043 -5.642 1.00 0.00 N ATOM 874 CZ ARG A 57 3.124 1.150 -5.611 1.00 0.00 C ATOM 875 NH1 ARG A 57 2.453 1.487 -4.512 1.00 0.00 N ATOM 876 NH2 ARG A 57 3.047 1.923 -6.688 1.00 0.00 N ATOM 0 H ARG A 57 3.255 -2.690 -2.942 1.00 0.00 H new ATOM 0 HA ARG A 57 5.364 -4.178 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.271 -1.686 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.763 -2.316 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.180 -0.722 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.528 -2.180 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.286 -1.654 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.875 -0.327 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 57 4.357 -0.181 -6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.506 0.898 -3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.885 2.334 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.558 1.671 -7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.477 2.769 -6.669 1.00 0.00 H new ATOM 890 N TYR A 58 5.003 -4.432 -0.854 1.00 0.00 N ATOM 891 CA TYR A 58 5.447 -5.157 0.336 1.00 0.00 C ATOM 892 C TYR A 58 5.211 -6.660 0.175 1.00 0.00 C ATOM 893 O TYR A 58 6.105 -7.471 0.422 1.00 0.00 O ATOM 894 CB TYR A 58 4.703 -4.646 1.574 1.00 0.00 C ATOM 895 CG TYR A 58 5.229 -5.211 2.876 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.308 -4.625 3.524 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.643 -6.330 3.455 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.790 -5.138 4.712 1.00 0.00 C ATOM 899 CE2 TYR A 58 5.118 -6.848 4.644 1.00 0.00 C ATOM 900 CZ TYR A 58 6.193 -6.248 5.269 1.00 0.00 C ATOM 901 OH TYR A 58 6.671 -6.760 6.456 1.00 0.00 O ATOM 0 H TYR A 58 4.134 -3.914 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 58 6.516 -4.984 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.772 -3.559 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.646 -4.895 1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.778 -3.754 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.803 -6.802 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.631 -4.671 5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.651 -7.718 5.082 1.00 0.00 H new ATOM 0 HH TYR A 58 6.139 -7.542 6.713 1.00 0.00 H new ATOM 911 N LYS A 59 3.994 -7.013 -0.245 1.00 0.00 N ATOM 912 CA LYS A 59 3.607 -8.408 -0.456 1.00 0.00 C ATOM 913 C LYS A 59 4.274 -9.005 -1.702 1.00 0.00 C ATOM 914 O LYS A 59 4.302 -10.226 -1.864 1.00 0.00 O ATOM 915 CB LYS A 59 2.087 -8.511 -0.605 1.00 0.00 C ATOM 916 CG LYS A 59 1.309 -8.062 0.624 1.00 0.00 C ATOM 917 CD LYS A 59 1.628 -8.921 1.837 1.00 0.00 C ATOM 918 CE LYS A 59 0.660 -8.654 2.978 1.00 0.00 C ATOM 919 NZ LYS A 59 -0.656 -9.317 2.758 1.00 0.00 N ATOM 0 H LYS A 59 3.253 -6.342 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 59 3.941 -8.973 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.775 -7.909 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.824 -9.545 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.545 -7.021 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.240 -8.110 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.584 -9.974 1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.647 -8.721 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.094 -9.010 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.512 -7.579 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.275 -9.138 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.098 -8.935 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.515 -10.342 2.649 1.00 0.00 H new ATOM 933 N LYS A 60 4.800 -8.139 -2.579 1.00 0.00 N ATOM 934 CA LYS A 60 5.458 -8.572 -3.814 1.00 0.00 C ATOM 935 C LYS A 60 4.429 -9.089 -4.820 1.00 0.00 C ATOM 936 O LYS A 60 4.412 -10.273 -5.164 1.00 0.00 O ATOM 937 CB LYS A 60 6.525 -9.641 -3.531 1.00 0.00 C ATOM 938 CG LYS A 60 7.521 -9.247 -2.447 1.00 0.00 C ATOM 939 CD LYS A 60 8.175 -7.905 -2.743 1.00 0.00 C ATOM 940 CE LYS A 60 9.102 -7.476 -1.615 1.00 0.00 C ATOM 941 NZ LYS A 60 9.606 -6.086 -1.803 1.00 0.00 N ATOM 0 H LYS A 60 4.781 -7.127 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 60 5.960 -7.707 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.029 -10.566 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.069 -9.850 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.011 -9.199 -1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.289 -10.015 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.739 -7.971 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.405 -7.148 -2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.572 -7.544 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.946 -8.163 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.136 -5.792 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.232 -6.053 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.802 -5.442 -1.949 1.00 0.00 H new ATOM 955 N LEU A 61 3.566 -8.182 -5.281 1.00 0.00 N ATOM 956 CA LEU A 61 2.523 -8.530 -6.252 1.00 0.00 C ATOM 957 C LEU A 61 1.859 -7.286 -6.858 1.00 0.00 C ATOM 958 O LEU A 61 0.691 -7.329 -7.242 1.00 0.00 O ATOM 959 CB LEU A 61 1.465 -9.429 -5.596 1.00 0.00 C ATOM 960 CG LEU A 61 1.096 -9.071 -4.149 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.552 -7.654 -4.060 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.084 -10.063 -3.600 1.00 0.00 C ATOM 0 H LEU A 61 3.567 -7.202 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 61 3.004 -9.072 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.560 -9.396 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.825 -10.458 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 61 2.002 -9.124 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.298 -7.426 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.307 -6.951 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.341 -7.567 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.167 -9.796 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.817 -10.040 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.510 -11.066 -3.620 1.00 0.00 H new ATOM 974 N TYR A 62 2.613 -6.192 -6.972 1.00 0.00 N ATOM 975 CA TYR A 62 2.087 -4.948 -7.539 1.00 0.00 C ATOM 976 C TYR A 62 1.690 -5.104 -9.016 1.00 0.00 C ATOM 977 O TYR A 62 0.961 -4.269 -9.556 1.00 0.00 O ATOM 978 CB TYR A 62 3.128 -3.831 -7.385 1.00 0.00 C ATOM 979 CG TYR A 62 2.691 -2.499 -7.956 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.632 -1.799 -7.396 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.337 -1.948 -9.055 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.228 -0.586 -7.916 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.940 -0.733 -9.580 1.00 0.00 C ATOM 984 CZ TYR A 62 1.884 -0.056 -9.007 1.00 0.00 C ATOM 985 OH TYR A 62 1.485 1.154 -9.528 1.00 0.00 O ATOM 0 H TYR A 62 3.589 -6.141 -6.680 1.00 0.00 H new ATOM 0 HA TYR A 62 1.182 -4.689 -6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.356 -3.704 -6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.052 -4.139 -7.875 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.116 -2.209 -6.540 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.163 -2.478 -9.507 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.401 -0.054 -7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.454 -0.316 -10.434 1.00 0.00 H new ATOM 0 HH TYR A 62 2.052 1.384 -10.293 1.00 0.00 H new ATOM 995 N ASN A 63 2.161 -6.176 -9.662 1.00 0.00 N ATOM 996 CA ASN A 63 1.866 -6.420 -11.073 1.00 0.00 C ATOM 997 C ASN A 63 0.392 -6.780 -11.312 1.00 0.00 C ATOM 998 O ASN A 63 -0.321 -6.043 -11.995 1.00 0.00 O ATOM 999 CB ASN A 63 2.784 -7.524 -11.613 1.00 0.00 C ATOM 1000 CG ASN A 63 2.564 -7.803 -13.088 1.00 0.00 C ATOM 1001 OD1 ASN A 63 3.092 -7.100 -13.950 1.00 0.00 O ATOM 1002 ND2 ASN A 63 1.792 -8.843 -13.387 1.00 0.00 N ATOM 0 H ASN A 63 2.748 -6.888 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 63 2.054 -5.492 -11.613 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.823 -7.236 -11.453 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.616 -8.440 -11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.618 -9.085 -14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.374 -9.399 -12.641 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.066 -7.908 -10.753 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.453 -8.349 -10.947 1.00 0.00 C ATOM 1011 C GLN A 64 -2.387 -7.913 -9.811 1.00 0.00 C ATOM 1012 O GLN A 64 -3.599 -8.080 -9.933 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.515 -9.869 -11.107 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.275 -10.344 -12.531 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.583 -11.819 -12.715 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -0.721 -12.673 -12.511 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -2.816 -12.123 -13.110 1.00 0.00 N ATOM 0 H GLN A 64 0.497 -8.526 -10.169 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.803 -7.864 -11.858 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.773 -10.325 -10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.492 -10.221 -10.776 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.892 -9.760 -13.214 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.236 -10.157 -12.802 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.499 -11.382 -13.267 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.079 -13.098 -13.256 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.861 -7.361 -8.720 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.718 -6.952 -7.605 1.00 0.00 C ATOM 1028 C ALA A 65 -3.547 -5.716 -7.949 1.00 0.00 C ATOM 1029 O ALA A 65 -4.717 -5.622 -7.573 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.891 -6.701 -6.356 1.00 0.00 C ATOM 0 H ALA A 65 -0.865 -7.188 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.410 -7.772 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.547 -6.398 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.365 -7.614 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.167 -5.910 -6.552 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.938 -4.774 -8.669 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.617 -3.540 -9.060 1.00 0.00 C ATOM 1038 C ARG A 66 -4.697 -3.794 -10.118 1.00 0.00 C ATOM 1039 O ARG A 66 -5.652 -3.023 -10.228 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.598 -2.524 -9.581 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.104 -1.090 -9.571 1.00 0.00 C ATOM 1042 CD ARG A 66 -1.996 -0.105 -9.912 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.654 -0.126 -11.334 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.046 0.877 -11.974 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.708 1.988 -11.324 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.777 0.768 -13.270 1.00 0.00 N ATOM 0 H ARG A 66 -1.974 -4.843 -8.994 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.111 -3.139 -8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.694 -2.585 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.317 -2.794 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.918 -0.986 -10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.512 -0.854 -8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.307 0.901 -9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.109 -0.341 -9.324 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.895 -0.959 -11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.913 2.079 -10.329 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.244 2.748 -11.821 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.035 -0.080 -13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.313 1.532 -13.761 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.548 -4.875 -10.893 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.515 -5.211 -11.942 1.00 0.00 C ATOM 1062 C VAL A 67 -6.580 -6.197 -11.449 1.00 0.00 C ATOM 1063 O VAL A 67 -7.759 -6.056 -11.776 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.823 -5.799 -13.195 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.871 -4.782 -13.806 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -4.086 -7.091 -12.867 1.00 0.00 C ATOM 0 H VAL A 67 -3.770 -5.529 -10.813 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.002 -4.273 -12.211 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.598 -6.033 -13.924 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.394 -5.213 -14.686 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.428 -3.891 -14.095 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.109 -4.512 -13.075 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.611 -7.478 -13.769 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.325 -6.894 -12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.794 -7.827 -12.485 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.160 -7.191 -10.663 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.078 -8.203 -10.134 1.00 0.00 C ATOM 1078 C LYS A 68 -8.067 -7.607 -9.135 1.00 0.00 C ATOM 1079 O LYS A 68 -9.189 -8.096 -9.002 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.297 -9.340 -9.471 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.644 -10.290 -10.464 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.683 -11.072 -11.250 1.00 0.00 C ATOM 1083 CE LYS A 68 -6.036 -12.080 -12.185 1.00 0.00 C ATOM 1084 NZ LYS A 68 -7.049 -12.877 -12.931 1.00 0.00 N ATOM 0 H LYS A 68 -5.189 -7.317 -10.378 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.646 -8.596 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.527 -8.914 -8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.971 -9.906 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.016 -9.724 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.991 -10.982 -9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.348 -11.590 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.298 -10.382 -11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.393 -11.557 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.398 -12.751 -11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.567 -13.553 -13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.647 -13.396 -12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.642 -12.240 -13.500 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.644 -6.560 -8.426 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.497 -5.903 -7.442 1.00 0.00 C ATOM 1100 C TYR A 69 -8.706 -4.431 -7.792 1.00 0.00 C ATOM 1101 O TYR A 69 -7.938 -3.850 -8.562 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.889 -6.040 -6.045 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.893 -7.459 -5.521 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.883 -8.351 -5.863 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.912 -7.909 -4.691 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -6.888 -9.649 -5.390 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.923 -9.205 -4.214 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.910 -10.071 -4.565 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.921 -11.364 -4.091 1.00 0.00 O ATOM 0 H TYR A 69 -6.714 -6.150 -8.517 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.471 -6.391 -7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.863 -5.672 -6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.441 -5.404 -5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.082 -8.024 -6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.709 -7.234 -4.414 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.096 -10.330 -5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.722 -9.538 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.055 -11.355 -3.120 1.00 0.00 H new ATOM 1119 N SER A 70 -9.754 -3.837 -7.220 1.00 0.00 N ATOM 1120 CA SER A 70 -10.079 -2.433 -7.470 1.00 0.00 C ATOM 1121 C SER A 70 -9.101 -1.499 -6.758 1.00 0.00 C ATOM 1122 O SER A 70 -9.251 -1.217 -5.567 1.00 0.00 O ATOM 1123 CB SER A 70 -11.513 -2.135 -7.020 1.00 0.00 C ATOM 1124 OG SER A 70 -11.882 -0.802 -7.331 1.00 0.00 O ATOM 0 H SER A 70 -10.393 -4.308 -6.579 1.00 0.00 H new ATOM 0 HA SER A 70 -9.994 -2.255 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.200 -2.828 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.601 -2.298 -5.946 1.00 0.00 H new ATOM 0 HG SER A 70 -12.802 -0.640 -7.034 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.095 -1.028 -7.497 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.092 -0.117 -6.948 1.00 0.00 C ATOM 1132 C LEU A 71 -6.910 1.097 -7.858 1.00 0.00 C ATOM 1133 O LEU A 71 -7.375 2.192 -7.540 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.752 -0.838 -6.747 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.702 -1.824 -5.575 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.368 -3.141 -5.943 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.265 -2.057 -5.137 1.00 0.00 C ATOM 0 H LEU A 71 -7.954 -1.264 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.446 0.228 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.508 -1.377 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.974 -0.088 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.253 -1.388 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.319 -3.823 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.411 -2.961 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.852 -3.584 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.248 -2.760 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.693 -2.467 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.822 -1.112 -4.823 1.00 0.00 H new