USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 116 TYR OH : rot 0:sc= 0.172 USER MOD Set 1.2: A 160 HIS :FLIP no HD1:sc= -12.6! C(o=-14!,f=-12!) USER MOD Set 2.1: A 105 SER OG : rot -122:sc= 0.651 USER MOD Set 2.2: A 108 THR OG1 : rot 113:sc= -1.4! USER MOD Set 2.3: A 163 ASN : amide:sc= 0.611 K(o=-0.14,f=-3.7!) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.119) USER MOD Single : A 99 MET CE :methyl -145:sc= -6.22! (180deg=-8.77!) USER MOD Single : A 109 THR OG1 : rot -1:sc= 0.592 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 60:sc= -2.79! USER MOD Single : A 127 THR OG1 : rot 38:sc= 0.307 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 101:sc= 0.142 USER MOD Single : A 146 LYS NZ :NH3+ 178:sc= 0.558 (180deg=0.555) USER MOD Single : A 148 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 150 SER OG : rot 17:sc= -3.83! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.13) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 77.073 -6.882 3.213 1.00 0.00 N ATOM 2 CA LYS A 98 76.760 -5.673 2.400 1.00 0.00 C ATOM 3 C LYS A 98 75.396 -5.837 1.724 1.00 0.00 C ATOM 4 O LYS A 98 74.949 -6.938 1.467 1.00 0.00 O ATOM 5 CB LYS A 98 77.871 -5.600 1.351 1.00 0.00 C ATOM 6 CG LYS A 98 79.235 -5.672 2.041 1.00 0.00 C ATOM 7 CD LYS A 98 80.112 -6.708 1.332 1.00 0.00 C ATOM 8 CE LYS A 98 80.709 -7.665 2.367 1.00 0.00 C ATOM 9 NZ LYS A 98 81.709 -6.852 3.112 1.00 0.00 N ATOM 0 HA LYS A 98 76.713 -4.767 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.768 -6.420 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.788 -4.673 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.718 -4.695 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 98 79.110 -5.942 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 98 79.521 -7.264 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 98 80.909 -6.209 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 98 79.940 -8.054 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.178 -8.524 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 82.333 -7.482 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 82.277 -6.298 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 81.217 -6.207 3.763 1.00 0.00 H new ATOM 23 N MET A 99 74.729 -4.755 1.436 1.00 0.00 N ATOM 24 CA MET A 99 73.395 -4.860 0.780 1.00 0.00 C ATOM 25 C MET A 99 73.237 -3.770 -0.285 1.00 0.00 C ATOM 26 O MET A 99 74.114 -2.955 -0.492 1.00 0.00 O ATOM 27 CB MET A 99 72.384 -4.646 1.903 1.00 0.00 C ATOM 28 CG MET A 99 71.755 -5.979 2.307 1.00 0.00 C ATOM 29 SD MET A 99 70.207 -5.670 3.197 1.00 0.00 S ATOM 30 CE MET A 99 69.252 -5.008 1.805 1.00 0.00 C ATOM 0 H MET A 99 75.048 -3.805 1.625 1.00 0.00 H new ATOM 0 HA MET A 99 73.260 -5.819 0.280 1.00 0.00 H new ATOM 0 HB2 MET A 99 72.876 -4.192 2.763 1.00 0.00 H new ATOM 0 HB3 MET A 99 71.608 -3.953 1.577 1.00 0.00 H new ATOM 0 HG2 MET A 99 71.564 -6.586 1.422 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.443 -6.542 2.937 1.00 0.00 H new ATOM 0 HE1 MET A 99 68.580 -4.228 2.163 1.00 0.00 H new ATOM 0 HE2 MET A 99 69.932 -4.588 1.064 1.00 0.00 H new ATOM 0 HE3 MET A 99 68.669 -5.809 1.350 1.00 0.00 H new ATOM 40 N PHE A 100 72.118 -3.750 -0.954 1.00 0.00 N ATOM 41 CA PHE A 100 71.887 -2.719 -2.002 1.00 0.00 C ATOM 42 C PHE A 100 70.596 -1.948 -1.706 1.00 0.00 C ATOM 43 O PHE A 100 69.587 -2.520 -1.350 1.00 0.00 O ATOM 44 CB PHE A 100 71.756 -3.515 -3.304 1.00 0.00 C ATOM 45 CG PHE A 100 71.802 -2.580 -4.492 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.834 -1.579 -4.642 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.813 -2.724 -5.449 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.879 -0.721 -5.747 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.858 -1.865 -6.554 1.00 0.00 C ATOM 50 CZ PHE A 100 71.892 -0.864 -6.703 1.00 0.00 C ATOM 0 H PHE A 100 71.350 -4.407 -0.819 1.00 0.00 H new ATOM 0 HA PHE A 100 72.689 -1.983 -2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.562 -4.246 -3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.819 -4.072 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 100 70.052 -1.469 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.558 -3.497 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 100 70.133 0.051 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.639 -1.975 -7.292 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.928 -0.202 -7.555 1.00 0.00 H new ATOM 60 N ILE A 101 70.621 -0.652 -1.850 1.00 0.00 N ATOM 61 CA ILE A 101 69.391 0.153 -1.578 1.00 0.00 C ATOM 62 C ILE A 101 69.003 0.953 -2.823 1.00 0.00 C ATOM 63 O ILE A 101 69.638 1.929 -3.169 1.00 0.00 O ATOM 64 CB ILE A 101 69.764 1.093 -0.426 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.647 0.356 0.586 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.488 1.568 0.274 1.00 0.00 C ATOM 67 CD1 ILE A 101 69.980 -0.960 0.992 1.00 0.00 C ATOM 0 H ILE A 101 71.436 -0.114 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 101 68.538 -0.475 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 101 70.310 1.948 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.627 0.159 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.807 0.980 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.750 2.237 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.857 2.098 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 101 67.947 0.707 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.611 -1.481 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.010 -0.752 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 101 69.843 -1.586 0.110 1.00 0.00 H new ATOM 79 N GLY A 102 67.966 0.542 -3.504 1.00 0.00 N ATOM 80 CA GLY A 102 67.544 1.280 -4.731 1.00 0.00 C ATOM 81 C GLY A 102 66.316 2.138 -4.424 1.00 0.00 C ATOM 82 O GLY A 102 65.423 1.727 -3.718 1.00 0.00 O ATOM 0 H GLY A 102 67.395 -0.269 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.360 1.910 -5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.315 0.575 -5.530 1.00 0.00 H new ATOM 86 N GLY A 103 66.265 3.332 -4.950 1.00 0.00 N ATOM 87 CA GLY A 103 65.091 4.213 -4.684 1.00 0.00 C ATOM 88 C GLY A 103 65.555 5.473 -3.951 1.00 0.00 C ATOM 89 O GLY A 103 64.757 6.246 -3.458 1.00 0.00 O ATOM 0 H GLY A 103 66.984 3.735 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 103 64.605 4.483 -5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.352 3.681 -4.084 1.00 0.00 H new ATOM 93 N LEU A 104 66.839 5.686 -3.877 1.00 0.00 N ATOM 94 CA LEU A 104 67.355 6.896 -3.178 1.00 0.00 C ATOM 95 C LEU A 104 66.941 8.163 -3.926 1.00 0.00 C ATOM 96 O LEU A 104 66.623 8.130 -5.099 1.00 0.00 O ATOM 97 CB LEU A 104 68.875 6.746 -3.197 1.00 0.00 C ATOM 98 CG LEU A 104 69.345 6.151 -1.870 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.072 4.646 -1.862 1.00 0.00 C ATOM 100 CD2 LEU A 104 70.845 6.402 -1.706 1.00 0.00 C ATOM 0 H LEU A 104 67.554 5.074 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 104 66.961 6.981 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.177 6.103 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.345 7.716 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 104 68.806 6.620 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.407 4.221 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 104 68.003 4.469 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 104 69.611 4.174 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 104 71.183 5.979 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 104 71.385 5.932 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 104 71.037 7.475 -1.713 1.00 0.00 H new ATOM 112 N SER A 105 66.952 9.282 -3.257 1.00 0.00 N ATOM 113 CA SER A 105 66.569 10.556 -3.930 1.00 0.00 C ATOM 114 C SER A 105 67.778 11.136 -4.671 1.00 0.00 C ATOM 115 O SER A 105 68.866 10.596 -4.619 1.00 0.00 O ATOM 116 CB SER A 105 66.125 11.485 -2.798 1.00 0.00 C ATOM 117 OG SER A 105 67.048 12.560 -2.675 1.00 0.00 O ATOM 0 H SER A 105 67.209 9.370 -2.274 1.00 0.00 H new ATOM 0 HA SER A 105 65.780 10.419 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.126 11.871 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.068 10.932 -1.861 1.00 0.00 H new ATOM 0 HG SER A 105 67.417 12.572 -1.767 1.00 0.00 H new ATOM 123 N TRP A 106 67.598 12.227 -5.365 1.00 0.00 N ATOM 124 CA TRP A 106 68.741 12.830 -6.109 1.00 0.00 C ATOM 125 C TRP A 106 69.714 13.504 -5.136 1.00 0.00 C ATOM 126 O TRP A 106 70.879 13.682 -5.433 1.00 0.00 O ATOM 127 CB TRP A 106 68.111 13.869 -7.037 1.00 0.00 C ATOM 128 CG TRP A 106 66.919 13.279 -7.720 1.00 0.00 C ATOM 129 CD1 TRP A 106 66.715 11.957 -7.926 1.00 0.00 C ATOM 130 CD2 TRP A 106 65.768 13.965 -8.290 1.00 0.00 C ATOM 131 NE1 TRP A 106 65.510 11.789 -8.585 1.00 0.00 N ATOM 132 CE2 TRP A 106 64.889 12.998 -8.831 1.00 0.00 C ATOM 133 CE3 TRP A 106 65.406 15.320 -8.388 1.00 0.00 C ATOM 134 CZ2 TRP A 106 63.691 13.364 -9.450 1.00 0.00 C ATOM 135 CZ3 TRP A 106 64.202 15.692 -9.008 1.00 0.00 C ATOM 136 CH2 TRP A 106 63.347 14.716 -9.538 1.00 0.00 C ATOM 0 H TRP A 106 66.712 12.726 -5.449 1.00 0.00 H new ATOM 0 HA TRP A 106 69.310 12.082 -6.661 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.816 14.749 -6.466 1.00 0.00 H new ATOM 0 HB3 TRP A 106 68.840 14.199 -7.777 1.00 0.00 H new ATOM 0 HD1 TRP A 106 67.383 11.163 -7.625 1.00 0.00 H new ATOM 0 HE1 TRP A 106 65.127 10.883 -8.856 1.00 0.00 H new ATOM 0 HE3 TRP A 106 66.058 16.080 -7.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 63.036 12.608 -9.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 63.933 16.736 -9.077 1.00 0.00 H new ATOM 0 HH2 TRP A 106 62.423 15.008 -10.014 1.00 0.00 H new ATOM 147 N ASP A 107 69.246 13.886 -3.978 1.00 0.00 N ATOM 148 CA ASP A 107 70.149 14.554 -2.997 1.00 0.00 C ATOM 149 C ASP A 107 70.525 13.597 -1.861 1.00 0.00 C ATOM 150 O ASP A 107 71.075 14.004 -0.856 1.00 0.00 O ATOM 151 CB ASP A 107 69.342 15.733 -2.454 1.00 0.00 C ATOM 152 CG ASP A 107 70.208 16.539 -1.484 1.00 0.00 C ATOM 153 OD1 ASP A 107 71.320 16.877 -1.856 1.00 0.00 O ATOM 154 OD2 ASP A 107 69.746 16.803 -0.386 1.00 0.00 O ATOM 0 H ASP A 107 68.281 13.765 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 107 71.084 14.871 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 107 69.009 16.368 -3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.447 15.372 -1.946 1.00 0.00 H new ATOM 159 N THR A 108 70.237 12.332 -2.004 1.00 0.00 N ATOM 160 CA THR A 108 70.589 11.369 -0.917 1.00 0.00 C ATOM 161 C THR A 108 72.103 11.360 -0.695 1.00 0.00 C ATOM 162 O THR A 108 72.866 11.788 -1.538 1.00 0.00 O ATOM 163 CB THR A 108 70.113 10.003 -1.413 1.00 0.00 C ATOM 164 OG1 THR A 108 68.901 10.164 -2.133 1.00 0.00 O ATOM 165 CG2 THR A 108 69.877 9.078 -0.219 1.00 0.00 C ATOM 0 H THR A 108 69.777 11.924 -2.818 1.00 0.00 H new ATOM 0 HA THR A 108 70.125 11.636 0.033 1.00 0.00 H new ATOM 0 HB THR A 108 70.871 9.566 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 108 69.053 9.958 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.538 8.105 -0.574 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.807 8.957 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 108 69.118 9.511 0.432 1.00 0.00 H new ATOM 173 N THR A 109 72.541 10.879 0.434 1.00 0.00 N ATOM 174 CA THR A 109 74.004 10.845 0.711 1.00 0.00 C ATOM 175 C THR A 109 74.345 9.672 1.632 1.00 0.00 C ATOM 176 O THR A 109 73.485 8.925 2.054 1.00 0.00 O ATOM 177 CB THR A 109 74.302 12.171 1.413 1.00 0.00 C ATOM 178 OG1 THR A 109 73.621 12.208 2.661 1.00 0.00 O ATOM 179 CG2 THR A 109 73.832 13.332 0.535 1.00 0.00 C ATOM 0 H THR A 109 71.949 10.508 1.177 1.00 0.00 H new ATOM 0 HA THR A 109 74.591 10.717 -0.199 1.00 0.00 H new ATOM 0 HB THR A 109 75.375 12.260 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 109 73.108 11.382 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 109 74.045 14.276 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.357 13.302 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.759 13.247 0.362 1.00 0.00 H new ATOM 187 N LYS A 110 75.597 9.514 1.952 1.00 0.00 N ATOM 188 CA LYS A 110 76.003 8.403 2.856 1.00 0.00 C ATOM 189 C LYS A 110 75.656 8.772 4.300 1.00 0.00 C ATOM 190 O LYS A 110 75.572 7.926 5.170 1.00 0.00 O ATOM 191 CB LYS A 110 77.518 8.290 2.672 1.00 0.00 C ATOM 192 CG LYS A 110 78.115 7.399 3.766 1.00 0.00 C ATOM 193 CD LYS A 110 79.574 7.791 4.002 1.00 0.00 C ATOM 194 CE LYS A 110 80.344 7.736 2.681 1.00 0.00 C ATOM 195 NZ LYS A 110 81.756 8.066 3.038 1.00 0.00 N ATOM 0 H LYS A 110 76.360 10.108 1.626 1.00 0.00 H new ATOM 0 HA LYS A 110 75.498 7.463 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.743 7.874 1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.972 9.280 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.545 7.506 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 110 78.052 6.351 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.627 8.795 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 110 80.029 7.116 4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.273 6.749 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 110 79.943 8.449 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 82.344 8.048 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 81.794 9.014 3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 82.115 7.366 3.719 1.00 0.00 H new ATOM 209 N LYS A 111 75.459 10.035 4.558 1.00 0.00 N ATOM 210 CA LYS A 111 75.124 10.478 5.941 1.00 0.00 C ATOM 211 C LYS A 111 73.654 10.193 6.265 1.00 0.00 C ATOM 212 O LYS A 111 73.341 9.578 7.266 1.00 0.00 O ATOM 213 CB LYS A 111 75.390 11.982 5.940 1.00 0.00 C ATOM 214 CG LYS A 111 76.569 12.292 6.864 1.00 0.00 C ATOM 215 CD LYS A 111 76.052 12.536 8.283 1.00 0.00 C ATOM 216 CE LYS A 111 76.511 13.914 8.762 1.00 0.00 C ATOM 217 NZ LYS A 111 75.840 14.107 10.077 1.00 0.00 N ATOM 0 H LYS A 111 75.516 10.783 3.867 1.00 0.00 H new ATOM 0 HA LYS A 111 75.712 9.952 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.608 12.323 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.502 12.519 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 111 77.276 11.462 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.106 13.170 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 111 74.964 12.477 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.424 11.763 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 111 77.596 13.956 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 111 76.226 14.693 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 76.106 15.032 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 74.809 14.069 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 76.136 13.355 10.731 1.00 0.00 H new ATOM 231 N ASP A 112 72.747 10.640 5.438 1.00 0.00 N ATOM 232 CA ASP A 112 71.302 10.391 5.723 1.00 0.00 C ATOM 233 C ASP A 112 70.966 8.906 5.543 1.00 0.00 C ATOM 234 O ASP A 112 70.231 8.332 6.321 1.00 0.00 O ATOM 235 CB ASP A 112 70.536 11.249 4.716 1.00 0.00 C ATOM 236 CG ASP A 112 70.850 10.780 3.298 1.00 0.00 C ATOM 237 OD1 ASP A 112 71.952 10.310 3.085 1.00 0.00 O ATOM 238 OD2 ASP A 112 69.982 10.901 2.447 1.00 0.00 O ATOM 0 H ASP A 112 72.941 11.163 4.584 1.00 0.00 H new ATOM 0 HA ASP A 112 71.040 10.647 6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.465 11.178 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.812 12.297 4.832 1.00 0.00 H new ATOM 243 N LEU A 113 71.497 8.275 4.530 1.00 0.00 N ATOM 244 CA LEU A 113 71.199 6.827 4.323 1.00 0.00 C ATOM 245 C LEU A 113 71.773 6.009 5.482 1.00 0.00 C ATOM 246 O LEU A 113 71.095 5.196 6.079 1.00 0.00 O ATOM 247 CB LEU A 113 71.894 6.455 3.013 1.00 0.00 C ATOM 248 CG LEU A 113 71.462 5.051 2.586 1.00 0.00 C ATOM 249 CD1 LEU A 113 69.936 4.987 2.508 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.054 4.734 1.211 1.00 0.00 C ATOM 0 H LEU A 113 72.120 8.696 3.841 1.00 0.00 H new ATOM 0 HA LEU A 113 70.128 6.627 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.640 7.177 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.976 6.491 3.140 1.00 0.00 H new ATOM 0 HG LEU A 113 71.819 4.324 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.629 3.986 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.512 5.215 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.578 5.714 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 113 71.747 3.734 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 113 71.695 5.462 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.142 4.780 1.264 1.00 0.00 H new ATOM 262 N LYS A 114 73.019 6.218 5.805 1.00 0.00 N ATOM 263 CA LYS A 114 73.637 5.454 6.925 1.00 0.00 C ATOM 264 C LYS A 114 72.847 5.680 8.216 1.00 0.00 C ATOM 265 O LYS A 114 72.755 4.809 9.058 1.00 0.00 O ATOM 266 CB LYS A 114 75.053 6.013 7.059 1.00 0.00 C ATOM 267 CG LYS A 114 75.802 5.244 8.150 1.00 0.00 C ATOM 268 CD LYS A 114 76.163 6.199 9.290 1.00 0.00 C ATOM 269 CE LYS A 114 77.024 5.463 10.320 1.00 0.00 C ATOM 270 NZ LYS A 114 77.815 6.530 10.996 1.00 0.00 N ATOM 0 H LYS A 114 73.636 6.885 5.342 1.00 0.00 H new ATOM 0 HA LYS A 114 73.642 4.380 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.581 5.926 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 114 75.015 7.074 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.183 4.429 8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 114 76.705 4.794 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 114 76.703 7.061 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 114 75.256 6.578 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 114 76.406 4.918 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 114 77.676 4.733 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 78.430 6.102 11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 78.399 7.027 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 77.169 7.206 11.450 1.00 0.00 H new ATOM 284 N ASP A 115 72.278 6.844 8.383 1.00 0.00 N ATOM 285 CA ASP A 115 71.501 7.112 9.626 1.00 0.00 C ATOM 286 C ASP A 115 70.114 6.499 9.522 1.00 0.00 C ATOM 287 O ASP A 115 69.719 5.716 10.364 1.00 0.00 O ATOM 288 CB ASP A 115 71.421 8.634 9.738 1.00 0.00 C ATOM 289 CG ASP A 115 72.412 9.121 10.797 1.00 0.00 C ATOM 290 OD1 ASP A 115 73.158 8.299 11.303 1.00 0.00 O ATOM 291 OD2 ASP A 115 72.409 10.307 11.082 1.00 0.00 O ATOM 0 H ASP A 115 72.317 7.616 7.717 1.00 0.00 H new ATOM 0 HA ASP A 115 71.972 6.674 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 115 71.647 9.092 8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.409 8.937 10.006 1.00 0.00 H new ATOM 296 N TYR A 116 69.369 6.819 8.498 1.00 0.00 N ATOM 297 CA TYR A 116 68.023 6.202 8.374 1.00 0.00 C ATOM 298 C TYR A 116 68.158 4.710 8.643 1.00 0.00 C ATOM 299 O TYR A 116 67.270 4.074 9.172 1.00 0.00 O ATOM 300 CB TYR A 116 67.587 6.422 6.931 1.00 0.00 C ATOM 301 CG TYR A 116 66.357 5.584 6.676 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.101 6.073 7.044 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.471 4.320 6.082 1.00 0.00 C ATOM 304 CE1 TYR A 116 63.953 5.302 6.816 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.324 3.548 5.854 1.00 0.00 C ATOM 306 CZ TYR A 116 64.066 4.039 6.221 1.00 0.00 C ATOM 307 OH TYR A 116 62.936 3.279 5.994 1.00 0.00 O ATOM 0 H TYR A 116 69.630 7.469 7.756 1.00 0.00 H new ATOM 0 HA TYR A 116 67.303 6.629 9.072 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.372 7.476 6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.387 6.142 6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.015 7.046 7.505 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.442 3.941 5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 116 62.982 5.681 7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.411 2.574 5.395 1.00 0.00 H new ATOM 0 HH TYR A 116 62.145 3.767 6.305 1.00 0.00 H new ATOM 317 N PHE A 117 69.283 4.153 8.275 1.00 0.00 N ATOM 318 CA PHE A 117 69.498 2.704 8.496 1.00 0.00 C ATOM 319 C PHE A 117 70.155 2.442 9.854 1.00 0.00 C ATOM 320 O PHE A 117 70.128 1.337 10.360 1.00 0.00 O ATOM 321 CB PHE A 117 70.398 2.251 7.347 1.00 0.00 C ATOM 322 CG PHE A 117 69.534 1.962 6.143 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.466 1.066 6.259 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.791 2.593 4.920 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.652 0.799 5.153 1.00 0.00 C ATOM 326 CE2 PHE A 117 68.977 2.323 3.811 1.00 0.00 C ATOM 327 CZ PHE A 117 67.907 1.427 3.929 1.00 0.00 C ATOM 0 H PHE A 117 70.059 4.645 7.831 1.00 0.00 H new ATOM 0 HA PHE A 117 68.557 2.154 8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.129 3.025 7.111 1.00 0.00 H new ATOM 0 HB3 PHE A 117 70.958 1.361 7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.270 0.580 7.203 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.614 3.286 4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 117 66.827 0.108 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.175 2.806 2.866 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.279 1.221 3.075 1.00 0.00 H new ATOM 337 N SER A 118 70.735 3.440 10.455 1.00 0.00 N ATOM 338 CA SER A 118 71.371 3.229 11.785 1.00 0.00 C ATOM 339 C SER A 118 70.314 2.756 12.786 1.00 0.00 C ATOM 340 O SER A 118 70.622 2.173 13.806 1.00 0.00 O ATOM 341 CB SER A 118 71.919 4.596 12.190 1.00 0.00 C ATOM 342 OG SER A 118 72.678 4.459 13.383 1.00 0.00 O ATOM 0 H SER A 118 70.797 4.389 10.086 1.00 0.00 H new ATOM 0 HA SER A 118 72.158 2.475 11.758 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.542 5.002 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.100 5.299 12.344 1.00 0.00 H new ATOM 0 HG SER A 118 73.034 5.333 13.647 1.00 0.00 H new ATOM 348 N LYS A 119 69.064 3.004 12.493 1.00 0.00 N ATOM 349 CA LYS A 119 67.977 2.569 13.416 1.00 0.00 C ATOM 350 C LYS A 119 67.767 1.056 13.301 1.00 0.00 C ATOM 351 O LYS A 119 67.097 0.450 14.114 1.00 0.00 O ATOM 352 CB LYS A 119 66.734 3.324 12.947 1.00 0.00 C ATOM 353 CG LYS A 119 65.577 3.054 13.910 1.00 0.00 C ATOM 354 CD LYS A 119 64.284 2.876 13.114 1.00 0.00 C ATOM 355 CE LYS A 119 63.468 1.731 13.715 1.00 0.00 C ATOM 356 NZ LYS A 119 62.306 1.568 12.798 1.00 0.00 N ATOM 0 H LYS A 119 68.750 3.490 11.653 1.00 0.00 H new ATOM 0 HA LYS A 119 68.208 2.780 14.460 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.941 4.393 12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.463 3.009 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.781 2.159 14.499 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.474 3.881 14.612 1.00 0.00 H new ATOM 0 HD2 LYS A 119 63.704 3.799 13.132 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.514 2.664 12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 119 64.056 0.815 13.775 1.00 0.00 H new ATOM 0 HE3 LYS A 119 63.142 1.967 14.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 61.697 0.799 13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 61.762 2.454 12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 62.647 1.337 11.843 1.00 0.00 H new ATOM 370 N PHE A 120 68.347 0.440 12.306 1.00 0.00 N ATOM 371 CA PHE A 120 68.195 -1.036 12.151 1.00 0.00 C ATOM 372 C PHE A 120 69.314 -1.738 12.915 1.00 0.00 C ATOM 373 O PHE A 120 69.105 -2.326 13.957 1.00 0.00 O ATOM 374 CB PHE A 120 68.354 -1.316 10.655 1.00 0.00 C ATOM 375 CG PHE A 120 67.240 -0.678 9.860 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.269 0.692 9.593 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.200 -1.468 9.360 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.255 1.277 8.825 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.189 -0.885 8.586 1.00 0.00 C ATOM 380 CZ PHE A 120 65.219 0.488 8.319 1.00 0.00 C ATOM 0 H PHE A 120 68.919 0.894 11.594 1.00 0.00 H new ATOM 0 HA PHE A 120 67.237 -1.389 12.532 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.315 -0.934 10.311 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.358 -2.392 10.482 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.074 1.301 9.979 1.00 0.00 H new ATOM 0 HD2 PHE A 120 66.177 -2.527 9.571 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.274 2.338 8.624 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.387 -1.494 8.196 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.441 0.938 7.721 1.00 0.00 H new ATOM 390 N GLY A 121 70.506 -1.668 12.393 1.00 0.00 N ATOM 391 CA GLY A 121 71.665 -2.314 13.063 1.00 0.00 C ATOM 392 C GLY A 121 72.927 -1.504 12.765 1.00 0.00 C ATOM 393 O GLY A 121 73.027 -0.842 11.750 1.00 0.00 O ATOM 0 H GLY A 121 70.728 -1.186 11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.497 -2.367 14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 121 71.782 -3.338 12.708 1.00 0.00 H new ATOM 397 N GLU A 122 73.887 -1.544 13.641 1.00 0.00 N ATOM 398 CA GLU A 122 75.141 -0.772 13.414 1.00 0.00 C ATOM 399 C GLU A 122 75.635 -0.950 11.976 1.00 0.00 C ATOM 400 O GLU A 122 75.791 -2.053 11.496 1.00 0.00 O ATOM 401 CB GLU A 122 76.147 -1.366 14.398 1.00 0.00 C ATOM 402 CG GLU A 122 76.399 -0.374 15.533 1.00 0.00 C ATOM 403 CD GLU A 122 77.053 -1.101 16.709 1.00 0.00 C ATOM 404 OE1 GLU A 122 76.674 -2.231 16.966 1.00 0.00 O ATOM 405 OE2 GLU A 122 77.922 -0.515 17.334 1.00 0.00 O ATOM 0 H GLU A 122 73.859 -2.080 14.509 1.00 0.00 H new ATOM 0 HA GLU A 122 74.995 0.298 13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 122 75.767 -2.305 14.800 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.082 -1.593 13.886 1.00 0.00 H new ATOM 0 HG2 GLU A 122 77.043 0.434 15.188 1.00 0.00 H new ATOM 0 HG3 GLU A 122 75.460 0.080 15.849 1.00 0.00 H new ATOM 412 N VAL A 123 75.899 0.131 11.296 1.00 0.00 N ATOM 413 CA VAL A 123 76.407 0.038 9.895 1.00 0.00 C ATOM 414 C VAL A 123 77.885 0.395 9.847 1.00 0.00 C ATOM 415 O VAL A 123 78.314 1.406 10.366 1.00 0.00 O ATOM 416 CB VAL A 123 75.574 1.044 9.083 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.420 1.665 7.964 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.416 0.301 8.431 1.00 0.00 C ATOM 0 H VAL A 123 75.785 1.080 11.651 1.00 0.00 H new ATOM 0 HA VAL A 123 76.312 -0.971 9.493 1.00 0.00 H new ATOM 0 HB VAL A 123 75.220 1.828 9.753 1.00 0.00 H new ATOM 0 HG11 VAL A 123 75.814 2.374 7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.274 2.184 8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 123 76.774 0.879 7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 123 73.815 1.001 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 123 74.806 -0.475 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 123 73.797 -0.156 9.203 1.00 0.00 H new ATOM 428 N VAL A 124 78.657 -0.412 9.191 1.00 0.00 N ATOM 429 CA VAL A 124 80.097 -0.105 9.065 1.00 0.00 C ATOM 430 C VAL A 124 80.285 0.746 7.820 1.00 0.00 C ATOM 431 O VAL A 124 81.248 1.478 7.694 1.00 0.00 O ATOM 432 CB VAL A 124 80.791 -1.464 8.907 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.057 -1.311 8.050 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.175 -1.996 10.290 1.00 0.00 C ATOM 0 H VAL A 124 78.352 -1.272 8.736 1.00 0.00 H new ATOM 0 HA VAL A 124 80.503 0.439 9.918 1.00 0.00 H new ATOM 0 HB VAL A 124 80.111 -2.161 8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.543 -2.281 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 124 81.786 -0.930 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 124 82.741 -0.613 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 124 81.669 -2.962 10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 124 81.853 -1.293 10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.277 -2.112 10.897 1.00 0.00 H new ATOM 444 N ASP A 125 79.383 0.645 6.885 1.00 0.00 N ATOM 445 CA ASP A 125 79.552 1.447 5.653 1.00 0.00 C ATOM 446 C ASP A 125 78.210 1.808 5.004 1.00 0.00 C ATOM 447 O ASP A 125 77.192 1.194 5.250 1.00 0.00 O ATOM 448 CB ASP A 125 80.375 0.565 4.716 1.00 0.00 C ATOM 449 CG ASP A 125 81.858 0.909 4.866 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.205 2.058 4.645 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.622 0.018 5.199 1.00 0.00 O ATOM 0 H ASP A 125 78.553 0.053 6.922 1.00 0.00 H new ATOM 0 HA ASP A 125 80.037 2.398 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.209 -0.487 4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.058 0.716 3.684 1.00 0.00 H new ATOM 456 N CYS A 126 78.231 2.802 4.160 1.00 0.00 N ATOM 457 CA CYS A 126 77.000 3.245 3.443 1.00 0.00 C ATOM 458 C CYS A 126 77.426 4.069 2.234 1.00 0.00 C ATOM 459 O CYS A 126 78.452 4.718 2.254 1.00 0.00 O ATOM 460 CB CYS A 126 76.226 4.105 4.442 1.00 0.00 C ATOM 461 SG CYS A 126 74.724 4.737 3.653 1.00 0.00 S ATOM 0 H CYS A 126 79.068 3.338 3.932 1.00 0.00 H new ATOM 0 HA CYS A 126 76.385 2.416 3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 126 75.968 3.516 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 126 76.847 4.933 4.784 1.00 0.00 H new ATOM 0 HG CYS A 126 73.983 3.740 3.270 1.00 0.00 H new ATOM 467 N THR A 127 76.685 4.028 1.165 1.00 0.00 N ATOM 468 CA THR A 127 77.119 4.797 -0.029 1.00 0.00 C ATOM 469 C THR A 127 75.925 5.241 -0.888 1.00 0.00 C ATOM 470 O THR A 127 74.881 4.620 -0.903 1.00 0.00 O ATOM 471 CB THR A 127 78.022 3.801 -0.775 1.00 0.00 C ATOM 472 OG1 THR A 127 79.381 4.095 -0.484 1.00 0.00 O ATOM 473 CG2 THR A 127 77.801 3.890 -2.284 1.00 0.00 C ATOM 0 H THR A 127 75.814 3.506 1.066 1.00 0.00 H new ATOM 0 HA THR A 127 77.630 5.726 0.226 1.00 0.00 H new ATOM 0 HB THR A 127 77.774 2.792 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.465 4.357 0.457 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.451 3.176 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.761 3.659 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 127 78.033 4.898 -2.627 1.00 0.00 H new ATOM 481 N LEU A 128 76.104 6.302 -1.631 1.00 0.00 N ATOM 482 CA LEU A 128 75.025 6.794 -2.534 1.00 0.00 C ATOM 483 C LEU A 128 75.518 6.675 -3.978 1.00 0.00 C ATOM 484 O LEU A 128 76.456 7.334 -4.380 1.00 0.00 O ATOM 485 CB LEU A 128 74.796 8.261 -2.147 1.00 0.00 C ATOM 486 CG LEU A 128 74.025 8.996 -3.255 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.995 9.447 -4.349 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.968 8.070 -3.864 1.00 0.00 C ATOM 0 H LEU A 128 76.962 6.854 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 128 74.098 6.227 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 128 74.239 8.314 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.754 8.752 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 128 73.533 9.867 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 128 74.444 9.967 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 128 75.739 10.119 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 128 75.494 8.576 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 128 72.428 8.601 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.455 7.192 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 128 72.268 7.757 -3.089 1.00 0.00 H new ATOM 500 N LYS A 129 74.920 5.814 -4.752 1.00 0.00 N ATOM 501 CA LYS A 129 75.386 5.630 -6.156 1.00 0.00 C ATOM 502 C LYS A 129 74.587 6.488 -7.136 1.00 0.00 C ATOM 503 O LYS A 129 73.365 6.547 -7.093 1.00 0.00 O ATOM 504 CB LYS A 129 75.172 4.146 -6.459 1.00 0.00 C ATOM 505 CG LYS A 129 76.519 3.419 -6.438 1.00 0.00 C ATOM 506 CD LYS A 129 76.979 3.157 -7.873 1.00 0.00 C ATOM 507 CE LYS A 129 78.177 4.053 -8.196 1.00 0.00 C ATOM 508 NZ LYS A 129 79.301 3.113 -8.464 1.00 0.00 N ATOM 0 H LYS A 129 74.131 5.230 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 129 76.427 5.934 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 129 74.499 3.707 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 129 74.699 4.028 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 129 77.260 4.020 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 129 76.428 2.478 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 129 77.252 2.109 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 129 76.164 3.356 -8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 129 77.976 4.684 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 129 78.408 4.718 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 80.159 3.654 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 79.475 2.530 -7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 79.055 2.498 -9.266 1.00 0.00 H new ATOM 522 N LEU A 130 75.285 7.133 -8.035 1.00 0.00 N ATOM 523 CA LEU A 130 74.616 7.977 -9.057 1.00 0.00 C ATOM 524 C LEU A 130 74.552 7.198 -10.378 1.00 0.00 C ATOM 525 O LEU A 130 74.397 5.993 -10.382 1.00 0.00 O ATOM 526 CB LEU A 130 75.503 9.217 -9.189 1.00 0.00 C ATOM 527 CG LEU A 130 75.418 10.043 -7.906 1.00 0.00 C ATOM 528 CD1 LEU A 130 76.709 9.878 -7.104 1.00 0.00 C ATOM 529 CD2 LEU A 130 75.226 11.518 -8.264 1.00 0.00 C ATOM 0 H LEU A 130 76.303 7.107 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 130 73.595 8.251 -8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 130 76.535 8.921 -9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 130 75.184 9.816 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 130 74.574 9.699 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 130 76.647 10.468 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 130 76.848 8.827 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 130 77.554 10.221 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 130 75.165 12.109 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 130 76.071 11.860 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 130 74.305 11.637 -8.835 1.00 0.00 H new ATOM 541 N ASP A 131 74.679 7.858 -11.502 1.00 0.00 N ATOM 542 CA ASP A 131 74.632 7.120 -12.800 1.00 0.00 C ATOM 543 C ASP A 131 76.039 6.651 -13.184 1.00 0.00 C ATOM 544 O ASP A 131 76.951 7.448 -13.288 1.00 0.00 O ATOM 545 CB ASP A 131 74.107 8.130 -13.821 1.00 0.00 C ATOM 546 CG ASP A 131 72.576 8.113 -13.812 1.00 0.00 C ATOM 547 OD1 ASP A 131 72.010 8.077 -12.733 1.00 0.00 O ATOM 548 OD2 ASP A 131 71.997 8.136 -14.886 1.00 0.00 O ATOM 0 H ASP A 131 74.812 8.867 -11.577 1.00 0.00 H new ATOM 0 HA ASP A 131 73.999 6.234 -12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 131 74.472 9.129 -13.582 1.00 0.00 H new ATOM 0 HB3 ASP A 131 74.479 7.885 -14.816 1.00 0.00 H new ATOM 553 N PRO A 132 76.171 5.365 -13.375 1.00 0.00 N ATOM 554 CA PRO A 132 77.484 4.780 -13.741 1.00 0.00 C ATOM 555 C PRO A 132 77.838 5.086 -15.201 1.00 0.00 C ATOM 556 O PRO A 132 78.952 4.867 -15.634 1.00 0.00 O ATOM 557 CB PRO A 132 77.279 3.284 -13.532 1.00 0.00 C ATOM 558 CG PRO A 132 75.806 3.065 -13.672 1.00 0.00 C ATOM 559 CD PRO A 132 75.121 4.346 -13.266 1.00 0.00 C ATOM 0 HA PRO A 132 78.305 5.183 -13.149 1.00 0.00 H new ATOM 0 HB2 PRO A 132 77.835 2.704 -14.269 1.00 0.00 H new ATOM 0 HB3 PRO A 132 77.632 2.972 -12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 132 75.553 2.803 -14.699 1.00 0.00 H new ATOM 0 HG3 PRO A 132 75.479 2.238 -13.042 1.00 0.00 H new ATOM 0 HD2 PRO A 132 74.278 4.571 -13.919 1.00 0.00 H new ATOM 0 HD3 PRO A 132 74.730 4.284 -12.250 1.00 0.00 H new ATOM 567 N ILE A 133 76.907 5.586 -15.966 1.00 0.00 N ATOM 568 CA ILE A 133 77.212 5.896 -17.393 1.00 0.00 C ATOM 569 C ILE A 133 76.808 7.336 -17.728 1.00 0.00 C ATOM 570 O ILE A 133 77.489 8.027 -18.459 1.00 0.00 O ATOM 571 CB ILE A 133 76.388 4.888 -18.203 1.00 0.00 C ATOM 572 CG1 ILE A 133 77.036 4.685 -19.573 1.00 0.00 C ATOM 573 CG2 ILE A 133 74.956 5.399 -18.383 1.00 0.00 C ATOM 574 CD1 ILE A 133 77.383 6.041 -20.179 1.00 0.00 C ATOM 0 H ILE A 133 75.954 5.793 -15.668 1.00 0.00 H new ATOM 0 HA ILE A 133 78.276 5.817 -17.615 1.00 0.00 H new ATOM 0 HB ILE A 133 76.359 3.939 -17.667 1.00 0.00 H new ATOM 0 HG12 ILE A 133 77.936 4.078 -19.475 1.00 0.00 H new ATOM 0 HG13 ILE A 133 76.357 4.144 -20.232 1.00 0.00 H new ATOM 0 HG21 ILE A 133 74.381 4.675 -18.960 1.00 0.00 H new ATOM 0 HG22 ILE A 133 74.493 5.535 -17.406 1.00 0.00 H new ATOM 0 HG23 ILE A 133 74.974 6.352 -18.912 1.00 0.00 H new ATOM 0 HD11 ILE A 133 77.845 5.896 -21.156 1.00 0.00 H new ATOM 0 HD12 ILE A 133 76.474 6.632 -20.292 1.00 0.00 H new ATOM 0 HD13 ILE A 133 78.078 6.565 -19.523 1.00 0.00 H new ATOM 586 N THR A 134 75.705 7.792 -17.202 1.00 0.00 N ATOM 587 CA THR A 134 75.261 9.178 -17.493 1.00 0.00 C ATOM 588 C THR A 134 75.845 10.147 -16.459 1.00 0.00 C ATOM 589 O THR A 134 75.974 11.329 -16.705 1.00 0.00 O ATOM 590 CB THR A 134 73.741 9.113 -17.382 1.00 0.00 C ATOM 591 OG1 THR A 134 73.216 8.402 -18.494 1.00 0.00 O ATOM 592 CG2 THR A 134 73.173 10.525 -17.364 1.00 0.00 C ATOM 0 H THR A 134 75.093 7.261 -16.582 1.00 0.00 H new ATOM 0 HA THR A 134 75.588 9.534 -18.470 1.00 0.00 H new ATOM 0 HB THR A 134 73.464 8.600 -16.461 1.00 0.00 H new ATOM 0 HG1 THR A 134 72.240 8.358 -18.423 1.00 0.00 H new ATOM 0 HG21 THR A 134 72.087 10.479 -17.285 1.00 0.00 H new ATOM 0 HG22 THR A 134 73.577 11.069 -16.510 1.00 0.00 H new ATOM 0 HG23 THR A 134 73.448 11.040 -18.285 1.00 0.00 H new ATOM 600 N GLY A 135 76.202 9.653 -15.305 1.00 0.00 N ATOM 601 CA GLY A 135 76.781 10.544 -14.258 1.00 0.00 C ATOM 602 C GLY A 135 75.659 11.154 -13.417 1.00 0.00 C ATOM 603 O GLY A 135 75.748 11.225 -12.207 1.00 0.00 O ATOM 0 H GLY A 135 76.118 8.671 -15.041 1.00 0.00 H new ATOM 0 HA2 GLY A 135 77.459 9.977 -13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 135 77.369 11.334 -14.725 1.00 0.00 H new ATOM 607 N ARG A 136 74.604 11.600 -14.044 1.00 0.00 N ATOM 608 CA ARG A 136 73.483 12.210 -13.272 1.00 0.00 C ATOM 609 C ARG A 136 73.027 11.266 -12.157 1.00 0.00 C ATOM 610 O ARG A 136 73.154 10.063 -12.255 1.00 0.00 O ATOM 611 CB ARG A 136 72.365 12.417 -14.294 1.00 0.00 C ATOM 612 CG ARG A 136 71.344 13.411 -13.737 1.00 0.00 C ATOM 613 CD ARG A 136 70.394 13.848 -14.854 1.00 0.00 C ATOM 614 NE ARG A 136 69.130 14.219 -14.162 1.00 0.00 N ATOM 615 CZ ARG A 136 68.084 13.444 -14.256 1.00 0.00 C ATOM 616 NH1 ARG A 136 67.646 13.078 -15.429 1.00 0.00 N ATOM 617 NH2 ARG A 136 67.477 13.034 -13.176 1.00 0.00 N ATOM 0 H ARG A 136 74.470 11.569 -15.055 1.00 0.00 H new ATOM 0 HA ARG A 136 73.774 13.144 -12.792 1.00 0.00 H new ATOM 0 HB2 ARG A 136 72.778 12.790 -15.231 1.00 0.00 H new ATOM 0 HB3 ARG A 136 71.880 11.467 -14.516 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.780 12.952 -12.925 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.855 14.279 -13.320 1.00 0.00 H new ATOM 0 HD2 ARG A 136 70.801 14.692 -15.411 1.00 0.00 H new ATOM 0 HD3 ARG A 136 70.230 13.043 -15.570 1.00 0.00 H new ATOM 0 HE ARG A 136 69.081 15.078 -13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 136 68.121 13.397 -16.273 1.00 0.00 H new ATOM 0 HH12 ARG A 136 66.829 12.472 -15.502 1.00 0.00 H new ATOM 0 HH21 ARG A 136 67.820 13.319 -12.259 1.00 0.00 H new ATOM 0 HH22 ARG A 136 66.660 12.428 -13.249 1.00 0.00 H new ATOM 631 N SER A 137 72.498 11.803 -11.095 1.00 0.00 N ATOM 632 CA SER A 137 72.034 10.939 -9.971 1.00 0.00 C ATOM 633 C SER A 137 71.092 9.846 -10.490 1.00 0.00 C ATOM 634 O SER A 137 70.086 10.123 -11.112 1.00 0.00 O ATOM 635 CB SER A 137 71.289 11.884 -9.032 1.00 0.00 C ATOM 636 OG SER A 137 71.922 13.157 -9.048 1.00 0.00 O ATOM 0 H SER A 137 72.366 12.805 -10.955 1.00 0.00 H new ATOM 0 HA SER A 137 72.860 10.432 -9.473 1.00 0.00 H new ATOM 0 HB2 SER A 137 70.248 11.978 -9.343 1.00 0.00 H new ATOM 0 HB3 SER A 137 71.284 11.480 -8.020 1.00 0.00 H new ATOM 0 HG SER A 137 71.414 13.768 -9.622 1.00 0.00 H new ATOM 642 N ARG A 138 71.406 8.607 -10.225 1.00 0.00 N ATOM 643 CA ARG A 138 70.531 7.491 -10.683 1.00 0.00 C ATOM 644 C ARG A 138 69.483 7.202 -9.605 1.00 0.00 C ATOM 645 O ARG A 138 68.419 6.682 -9.877 1.00 0.00 O ATOM 646 CB ARG A 138 71.477 6.303 -10.873 1.00 0.00 C ATOM 647 CG ARG A 138 70.944 5.392 -11.980 1.00 0.00 C ATOM 648 CD ARG A 138 69.774 4.562 -11.449 1.00 0.00 C ATOM 649 NE ARG A 138 69.693 3.389 -12.362 1.00 0.00 N ATOM 650 CZ ARG A 138 69.090 3.500 -13.513 1.00 0.00 C ATOM 651 NH1 ARG A 138 67.802 3.308 -13.595 1.00 0.00 N ATOM 652 NH2 ARG A 138 69.774 3.802 -14.584 1.00 0.00 N ATOM 0 H ARG A 138 72.236 8.319 -9.708 1.00 0.00 H new ATOM 0 HA ARG A 138 69.991 7.715 -11.603 1.00 0.00 H new ATOM 0 HB2 ARG A 138 72.475 6.658 -11.130 1.00 0.00 H new ATOM 0 HB3 ARG A 138 71.567 5.745 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 138 70.620 5.990 -12.832 1.00 0.00 H new ATOM 0 HG3 ARG A 138 71.737 4.734 -12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 138 69.946 4.250 -10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 138 68.847 5.135 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 138 70.109 2.499 -12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 138 67.267 3.071 -12.759 1.00 0.00 H new ATOM 0 HH12 ARG A 138 67.330 3.395 -14.495 1.00 0.00 H new ATOM 0 HH21 ARG A 138 70.781 3.951 -14.521 1.00 0.00 H new ATOM 0 HH22 ARG A 138 69.301 3.888 -15.484 1.00 0.00 H new ATOM 666 N GLY A 139 69.770 7.575 -8.386 1.00 0.00 N ATOM 667 CA GLY A 139 68.788 7.368 -7.285 1.00 0.00 C ATOM 668 C GLY A 139 68.983 6.017 -6.589 1.00 0.00 C ATOM 669 O GLY A 139 68.030 5.306 -6.345 1.00 0.00 O ATOM 0 H GLY A 139 70.646 8.016 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.888 8.170 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 139 67.776 7.427 -7.686 1.00 0.00 H new ATOM 673 N PHE A 140 70.190 5.655 -6.232 1.00 0.00 N ATOM 674 CA PHE A 140 70.367 4.355 -5.517 1.00 0.00 C ATOM 675 C PHE A 140 71.774 4.249 -4.934 1.00 0.00 C ATOM 676 O PHE A 140 72.727 4.739 -5.500 1.00 0.00 O ATOM 677 CB PHE A 140 70.111 3.262 -6.557 1.00 0.00 C ATOM 678 CG PHE A 140 71.354 3.007 -7.376 1.00 0.00 C ATOM 679 CD1 PHE A 140 71.587 3.749 -8.534 1.00 0.00 C ATOM 680 CD2 PHE A 140 72.264 2.021 -6.978 1.00 0.00 C ATOM 681 CE1 PHE A 140 72.734 3.508 -9.302 1.00 0.00 C ATOM 682 CE2 PHE A 140 73.412 1.779 -7.743 1.00 0.00 C ATOM 683 CZ PHE A 140 73.646 2.522 -8.905 1.00 0.00 C ATOM 0 H PHE A 140 71.042 6.189 -6.400 1.00 0.00 H new ATOM 0 HA PHE A 140 69.679 4.262 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 140 69.802 2.343 -6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.292 3.560 -7.212 1.00 0.00 H new ATOM 0 HD1 PHE A 140 70.883 4.509 -8.839 1.00 0.00 H new ATOM 0 HD2 PHE A 140 72.081 1.447 -6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 140 72.915 4.082 -10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 140 74.116 1.020 -7.436 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.530 2.335 -9.496 1.00 0.00 H new ATOM 693 N GLY A 141 71.906 3.610 -3.802 1.00 0.00 N ATOM 694 CA GLY A 141 73.249 3.469 -3.177 1.00 0.00 C ATOM 695 C GLY A 141 73.352 2.115 -2.483 1.00 0.00 C ATOM 696 O GLY A 141 72.619 1.195 -2.785 1.00 0.00 O ATOM 0 H GLY A 141 71.140 3.180 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 141 74.026 3.560 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.412 4.271 -2.457 1.00 0.00 H new ATOM 700 N PHE A 142 74.267 1.979 -1.564 1.00 0.00 N ATOM 701 CA PHE A 142 74.422 0.673 -0.867 1.00 0.00 C ATOM 702 C PHE A 142 74.432 0.852 0.650 1.00 0.00 C ATOM 703 O PHE A 142 74.518 1.950 1.165 1.00 0.00 O ATOM 704 CB PHE A 142 75.772 0.134 -1.332 1.00 0.00 C ATOM 705 CG PHE A 142 75.634 -0.477 -2.702 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.340 0.334 -3.804 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.799 -1.856 -2.870 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.212 -0.234 -5.076 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.670 -2.425 -4.143 1.00 0.00 C ATOM 710 CZ PHE A 142 75.377 -1.613 -5.245 1.00 0.00 C ATOM 0 H PHE A 142 74.911 2.712 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 142 73.596 -0.000 -1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.507 0.939 -1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.139 -0.612 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.212 1.398 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.026 -2.481 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.986 0.392 -5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.796 -3.489 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.278 -2.052 -6.227 1.00 0.00 H new ATOM 720 N VAL A 143 74.364 -0.236 1.361 1.00 0.00 N ATOM 721 CA VAL A 143 74.390 -0.174 2.846 1.00 0.00 C ATOM 722 C VAL A 143 75.140 -1.393 3.369 1.00 0.00 C ATOM 723 O VAL A 143 74.859 -2.516 3.000 1.00 0.00 O ATOM 724 CB VAL A 143 72.919 -0.190 3.280 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.802 -0.726 4.710 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.362 1.235 3.228 1.00 0.00 C ATOM 0 H VAL A 143 74.291 -1.176 0.972 1.00 0.00 H new ATOM 0 HA VAL A 143 74.893 0.712 3.233 1.00 0.00 H new ATOM 0 HB VAL A 143 72.353 -0.835 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.754 -0.734 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.200 -1.740 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.369 -0.086 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.316 1.228 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 143 72.934 1.874 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.438 1.619 2.211 1.00 0.00 H new ATOM 736 N LEU A 144 76.104 -1.179 4.211 1.00 0.00 N ATOM 737 CA LEU A 144 76.891 -2.318 4.741 1.00 0.00 C ATOM 738 C LEU A 144 76.681 -2.433 6.249 1.00 0.00 C ATOM 739 O LEU A 144 77.204 -1.655 7.022 1.00 0.00 O ATOM 740 CB LEU A 144 78.331 -1.956 4.399 1.00 0.00 C ATOM 741 CG LEU A 144 78.744 -2.673 3.110 1.00 0.00 C ATOM 742 CD1 LEU A 144 77.781 -2.295 1.979 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.165 -2.252 2.728 1.00 0.00 C ATOM 0 H LEU A 144 76.382 -0.261 4.557 1.00 0.00 H new ATOM 0 HA LEU A 144 76.604 -3.282 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.427 -0.877 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 144 78.993 -2.243 5.216 1.00 0.00 H new ATOM 0 HG LEU A 144 78.711 -3.751 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.077 -2.806 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.768 -2.592 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 144 77.813 -1.217 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.461 -2.761 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.195 -1.174 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.852 -2.521 3.530 1.00 0.00 H new ATOM 755 N PHE A 145 75.903 -3.388 6.666 1.00 0.00 N ATOM 756 CA PHE A 145 75.636 -3.550 8.120 1.00 0.00 C ATOM 757 C PHE A 145 76.815 -4.232 8.813 1.00 0.00 C ATOM 758 O PHE A 145 77.513 -5.038 8.231 1.00 0.00 O ATOM 759 CB PHE A 145 74.387 -4.419 8.185 1.00 0.00 C ATOM 760 CG PHE A 145 73.185 -3.590 7.806 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.745 -2.569 8.655 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.516 -3.834 6.601 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.636 -1.793 8.301 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.406 -3.059 6.247 1.00 0.00 C ATOM 765 CZ PHE A 145 70.966 -2.038 7.096 1.00 0.00 C ATOM 0 H PHE A 145 75.439 -4.066 6.062 1.00 0.00 H new ATOM 0 HA PHE A 145 75.498 -2.595 8.627 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.485 -5.269 7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.263 -4.823 9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.262 -2.380 9.584 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.857 -4.621 5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.297 -1.005 8.957 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.889 -3.249 5.318 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.110 -1.439 6.822 1.00 0.00 H new ATOM 775 N LYS A 146 77.039 -3.904 10.052 1.00 0.00 N ATOM 776 CA LYS A 146 78.174 -4.515 10.800 1.00 0.00 C ATOM 777 C LYS A 146 78.028 -6.040 10.874 1.00 0.00 C ATOM 778 O LYS A 146 78.999 -6.763 10.790 1.00 0.00 O ATOM 779 CB LYS A 146 78.094 -3.903 12.199 1.00 0.00 C ATOM 780 CG LYS A 146 79.508 -3.697 12.748 1.00 0.00 C ATOM 781 CD LYS A 146 79.593 -4.262 14.167 1.00 0.00 C ATOM 782 CE LYS A 146 78.509 -3.622 15.038 1.00 0.00 C ATOM 783 NZ LYS A 146 79.015 -3.744 16.434 1.00 0.00 N ATOM 0 H LYS A 146 76.482 -3.235 10.584 1.00 0.00 H new ATOM 0 HA LYS A 146 79.131 -4.321 10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 146 77.565 -2.951 12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.527 -4.557 12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 146 80.235 -4.192 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 146 79.757 -2.636 12.752 1.00 0.00 H new ATOM 0 HD2 LYS A 146 79.466 -5.344 14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 146 80.578 -4.064 14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 146 78.349 -2.579 14.766 1.00 0.00 H new ATOM 0 HE3 LYS A 146 77.554 -4.133 14.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 78.341 -3.297 17.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 79.119 -4.749 16.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 79.938 -3.271 16.511 1.00 0.00 H new ATOM 797 N GLU A 147 76.831 -6.538 11.042 1.00 0.00 N ATOM 798 CA GLU A 147 76.661 -8.020 11.133 1.00 0.00 C ATOM 799 C GLU A 147 75.498 -8.499 10.257 1.00 0.00 C ATOM 800 O GLU A 147 74.524 -7.797 10.046 1.00 0.00 O ATOM 801 CB GLU A 147 76.372 -8.306 12.611 1.00 0.00 C ATOM 802 CG GLU A 147 75.476 -7.208 13.194 1.00 0.00 C ATOM 803 CD GLU A 147 74.564 -7.809 14.263 1.00 0.00 C ATOM 804 OE1 GLU A 147 75.061 -8.564 15.082 1.00 0.00 O ATOM 805 OE2 GLU A 147 73.382 -7.506 14.243 1.00 0.00 O ATOM 0 H GLU A 147 75.973 -5.992 11.119 1.00 0.00 H new ATOM 0 HA GLU A 147 77.549 -8.545 10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 147 75.885 -9.276 12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 147 77.307 -8.358 13.169 1.00 0.00 H new ATOM 0 HG2 GLU A 147 76.088 -6.416 13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 147 74.878 -6.754 12.404 1.00 0.00 H new ATOM 812 N SER A 148 75.592 -9.701 9.751 1.00 0.00 N ATOM 813 CA SER A 148 74.499 -10.242 8.894 1.00 0.00 C ATOM 814 C SER A 148 73.159 -10.112 9.619 1.00 0.00 C ATOM 815 O SER A 148 72.117 -9.999 9.005 1.00 0.00 O ATOM 816 CB SER A 148 74.852 -11.712 8.682 1.00 0.00 C ATOM 817 OG SER A 148 75.242 -12.286 9.922 1.00 0.00 O ATOM 0 H SER A 148 76.381 -10.331 9.895 1.00 0.00 H new ATOM 0 HA SER A 148 74.407 -9.707 7.949 1.00 0.00 H new ATOM 0 HB2 SER A 148 73.995 -12.248 8.274 1.00 0.00 H new ATOM 0 HB3 SER A 148 75.660 -11.803 7.956 1.00 0.00 H new ATOM 0 HG SER A 148 75.468 -13.230 9.789 1.00 0.00 H new ATOM 823 N GLU A 149 73.181 -10.126 10.923 1.00 0.00 N ATOM 824 CA GLU A 149 71.911 -10.002 11.691 1.00 0.00 C ATOM 825 C GLU A 149 71.260 -8.647 11.407 1.00 0.00 C ATOM 826 O GLU A 149 70.126 -8.571 10.975 1.00 0.00 O ATOM 827 CB GLU A 149 72.322 -10.106 13.159 1.00 0.00 C ATOM 828 CG GLU A 149 72.800 -11.529 13.456 1.00 0.00 C ATOM 829 CD GLU A 149 71.894 -12.164 14.513 1.00 0.00 C ATOM 830 OE1 GLU A 149 71.577 -11.486 15.477 1.00 0.00 O ATOM 831 OE2 GLU A 149 71.533 -13.316 14.341 1.00 0.00 O ATOM 0 H GLU A 149 74.024 -10.218 11.490 1.00 0.00 H new ATOM 0 HA GLU A 149 71.185 -10.768 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 149 73.116 -9.392 13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.479 -9.852 13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 149 72.786 -12.126 12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 149 73.831 -11.511 13.809 1.00 0.00 H new ATOM 838 N SER A 150 71.968 -7.576 11.637 1.00 0.00 N ATOM 839 CA SER A 150 71.384 -6.232 11.368 1.00 0.00 C ATOM 840 C SER A 150 70.823 -6.187 9.944 1.00 0.00 C ATOM 841 O SER A 150 69.848 -5.513 9.667 1.00 0.00 O ATOM 842 CB SER A 150 72.546 -5.252 11.526 1.00 0.00 C ATOM 843 OG SER A 150 73.718 -5.809 10.945 1.00 0.00 O ATOM 0 H SER A 150 72.922 -7.573 11.998 1.00 0.00 H new ATOM 0 HA SER A 150 70.563 -5.990 12.043 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.304 -4.304 11.045 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.716 -5.040 12.582 1.00 0.00 H new ATOM 0 HG SER A 150 73.470 -6.551 10.355 1.00 0.00 H new ATOM 849 N VAL A 151 71.431 -6.905 9.039 1.00 0.00 N ATOM 850 CA VAL A 151 70.934 -6.910 7.632 1.00 0.00 C ATOM 851 C VAL A 151 69.545 -7.554 7.564 1.00 0.00 C ATOM 852 O VAL A 151 68.590 -6.947 7.118 1.00 0.00 O ATOM 853 CB VAL A 151 71.953 -7.744 6.854 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.676 -7.624 5.356 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.361 -7.227 7.149 1.00 0.00 C ATOM 0 H VAL A 151 72.250 -7.488 9.212 1.00 0.00 H new ATOM 0 HA VAL A 151 70.837 -5.904 7.224 1.00 0.00 H new ATOM 0 HB VAL A 151 71.873 -8.788 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.403 -8.219 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.671 -7.988 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.756 -6.580 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 151 74.090 -7.820 6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.436 -6.183 6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.562 -7.309 8.217 1.00 0.00 H new ATOM 865 N ASP A 152 69.423 -8.778 8.003 1.00 0.00 N ATOM 866 CA ASP A 152 68.094 -9.452 7.962 1.00 0.00 C ATOM 867 C ASP A 152 67.035 -8.561 8.616 1.00 0.00 C ATOM 868 O ASP A 152 65.870 -8.609 8.274 1.00 0.00 O ATOM 869 CB ASP A 152 68.277 -10.755 8.751 1.00 0.00 C ATOM 870 CG ASP A 152 68.232 -10.469 10.255 1.00 0.00 C ATOM 871 OD1 ASP A 152 67.204 -10.008 10.722 1.00 0.00 O ATOM 872 OD2 ASP A 152 69.225 -10.721 10.916 1.00 0.00 O ATOM 0 H ASP A 152 70.184 -9.338 8.387 1.00 0.00 H new ATOM 0 HA ASP A 152 67.759 -9.646 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.494 -11.464 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.229 -11.218 8.489 1.00 0.00 H new ATOM 877 N LYS A 153 67.436 -7.748 9.555 1.00 0.00 N ATOM 878 CA LYS A 153 66.455 -6.852 10.230 1.00 0.00 C ATOM 879 C LYS A 153 65.953 -5.793 9.249 1.00 0.00 C ATOM 880 O LYS A 153 64.775 -5.512 9.176 1.00 0.00 O ATOM 881 CB LYS A 153 67.230 -6.202 11.377 1.00 0.00 C ATOM 882 CG LYS A 153 66.338 -6.129 12.618 1.00 0.00 C ATOM 883 CD LYS A 153 66.421 -7.449 13.388 1.00 0.00 C ATOM 884 CE LYS A 153 65.058 -8.144 13.363 1.00 0.00 C ATOM 885 NZ LYS A 153 64.276 -7.503 14.457 1.00 0.00 N ATOM 0 H LYS A 153 68.398 -7.666 9.883 1.00 0.00 H new ATOM 0 HA LYS A 153 65.580 -7.392 10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 153 68.129 -6.779 11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.555 -5.202 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 153 66.653 -5.303 13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 153 65.307 -5.931 12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 153 67.178 -8.095 12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 153 66.727 -7.263 14.418 1.00 0.00 H new ATOM 0 HE2 LYS A 153 64.567 -8.014 12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 153 65.159 -9.217 13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 63.328 -7.928 14.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 64.764 -7.649 15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 64.190 -6.484 14.271 1.00 0.00 H new ATOM 899 N VAL A 154 66.835 -5.202 8.491 1.00 0.00 N ATOM 900 CA VAL A 154 66.391 -4.163 7.514 1.00 0.00 C ATOM 901 C VAL A 154 65.599 -4.817 6.379 1.00 0.00 C ATOM 902 O VAL A 154 64.865 -4.162 5.667 1.00 0.00 O ATOM 903 CB VAL A 154 67.679 -3.527 6.981 1.00 0.00 C ATOM 904 CG1 VAL A 154 67.348 -2.202 6.288 1.00 0.00 C ATOM 905 CG2 VAL A 154 68.643 -3.262 8.141 1.00 0.00 C ATOM 0 H VAL A 154 67.837 -5.390 8.504 1.00 0.00 H new ATOM 0 HA VAL A 154 65.739 -3.419 7.972 1.00 0.00 H new ATOM 0 HB VAL A 154 68.145 -4.207 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 154 68.265 -1.750 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 154 66.665 -2.386 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 154 66.878 -1.525 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 154 69.558 -2.810 7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 154 68.175 -2.585 8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 154 68.883 -4.203 8.636 1.00 0.00 H new ATOM 915 N MET A 155 65.735 -6.103 6.211 1.00 0.00 N ATOM 916 CA MET A 155 64.981 -6.793 5.126 1.00 0.00 C ATOM 917 C MET A 155 63.619 -7.260 5.649 1.00 0.00 C ATOM 918 O MET A 155 62.683 -7.439 4.895 1.00 0.00 O ATOM 919 CB MET A 155 65.850 -7.988 4.734 1.00 0.00 C ATOM 920 CG MET A 155 65.676 -8.279 3.242 1.00 0.00 C ATOM 921 SD MET A 155 64.238 -9.351 2.999 1.00 0.00 S ATOM 922 CE MET A 155 64.753 -10.067 1.417 1.00 0.00 C ATOM 0 H MET A 155 66.334 -6.705 6.776 1.00 0.00 H new ATOM 0 HA MET A 155 64.787 -6.140 4.275 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.897 -7.778 4.955 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.570 -8.863 5.321 1.00 0.00 H new ATOM 0 HG2 MET A 155 65.545 -7.347 2.692 1.00 0.00 H new ATOM 0 HG3 MET A 155 66.572 -8.759 2.848 1.00 0.00 H new ATOM 0 HE1 MET A 155 63.997 -10.773 1.074 1.00 0.00 H new ATOM 0 HE2 MET A 155 64.870 -9.273 0.679 1.00 0.00 H new ATOM 0 HE3 MET A 155 65.703 -10.586 1.545 1.00 0.00 H new ATOM 932 N ASP A 156 63.498 -7.451 6.935 1.00 0.00 N ATOM 933 CA ASP A 156 62.192 -7.900 7.498 1.00 0.00 C ATOM 934 C ASP A 156 61.083 -6.927 7.079 1.00 0.00 C ATOM 935 O ASP A 156 59.961 -7.319 6.826 1.00 0.00 O ATOM 936 CB ASP A 156 62.396 -7.909 9.025 1.00 0.00 C ATOM 937 CG ASP A 156 61.978 -6.565 9.636 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.460 -5.547 9.168 1.00 0.00 O ATOM 939 OD2 ASP A 156 61.183 -6.580 10.561 1.00 0.00 O ATOM 0 H ASP A 156 64.244 -7.316 7.618 1.00 0.00 H new ATOM 0 HA ASP A 156 61.890 -8.884 7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.811 -8.714 9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.442 -8.109 9.256 1.00 0.00 H new ATOM 944 N GLN A 157 61.396 -5.662 6.998 1.00 0.00 N ATOM 945 CA GLN A 157 60.370 -4.661 6.588 1.00 0.00 C ATOM 946 C GLN A 157 60.905 -3.826 5.425 1.00 0.00 C ATOM 947 O GLN A 157 61.612 -2.861 5.619 1.00 0.00 O ATOM 948 CB GLN A 157 60.150 -3.785 7.823 1.00 0.00 C ATOM 949 CG GLN A 157 59.176 -4.480 8.776 1.00 0.00 C ATOM 950 CD GLN A 157 57.798 -3.827 8.661 1.00 0.00 C ATOM 951 OE1 GLN A 157 56.799 -4.509 8.551 1.00 0.00 O ATOM 952 NE2 GLN A 157 57.703 -2.526 8.681 1.00 0.00 N ATOM 0 H GLN A 157 62.320 -5.278 7.198 1.00 0.00 H new ATOM 0 HA GLN A 157 59.442 -5.125 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 157 61.100 -3.603 8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 157 59.754 -2.813 7.527 1.00 0.00 H new ATOM 0 HG2 GLN A 157 59.109 -5.541 8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 157 59.540 -4.409 9.801 1.00 0.00 H new ATOM 0 HE21 GLN A 157 58.543 -1.955 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 157 56.789 -2.080 8.604 1.00 0.00 H new ATOM 961 N LYS A 158 60.581 -4.196 4.216 1.00 0.00 N ATOM 962 CA LYS A 158 61.086 -3.423 3.044 1.00 0.00 C ATOM 963 C LYS A 158 60.174 -2.242 2.750 1.00 0.00 C ATOM 964 O LYS A 158 60.303 -1.582 1.739 1.00 0.00 O ATOM 965 CB LYS A 158 61.094 -4.414 1.881 1.00 0.00 C ATOM 966 CG LYS A 158 61.475 -3.689 0.590 1.00 0.00 C ATOM 967 CD LYS A 158 60.236 -3.537 -0.294 1.00 0.00 C ATOM 968 CE LYS A 158 60.622 -2.824 -1.591 1.00 0.00 C ATOM 969 NZ LYS A 158 59.507 -3.112 -2.535 1.00 0.00 N ATOM 0 H LYS A 158 59.991 -4.996 3.989 1.00 0.00 H new ATOM 0 HA LYS A 158 62.078 -3.008 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.802 -5.218 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 158 60.111 -4.874 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 158 61.893 -2.709 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 158 62.246 -4.248 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 158 59.812 -4.516 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 158 59.468 -2.969 0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 158 60.738 -1.752 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 158 61.572 -3.194 -1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 59.700 -2.655 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 59.425 -4.140 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 58.617 -2.742 -2.144 1.00 0.00 H new ATOM 983 N GLU A 159 59.293 -1.934 3.650 1.00 0.00 N ATOM 984 CA GLU A 159 58.427 -0.753 3.437 1.00 0.00 C ATOM 985 C GLU A 159 59.189 0.431 3.992 1.00 0.00 C ATOM 986 O GLU A 159 58.829 1.022 4.990 1.00 0.00 O ATOM 987 CB GLU A 159 57.177 -1.001 4.253 1.00 0.00 C ATOM 988 CG GLU A 159 56.526 -2.317 3.820 1.00 0.00 C ATOM 989 CD GLU A 159 55.005 -2.190 3.912 1.00 0.00 C ATOM 990 OE1 GLU A 159 54.468 -2.488 4.967 1.00 0.00 O ATOM 991 OE2 GLU A 159 54.402 -1.796 2.927 1.00 0.00 O ATOM 0 H GLU A 159 59.135 -2.445 4.519 1.00 0.00 H new ATOM 0 HA GLU A 159 58.166 -0.575 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.426 -1.040 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.476 -0.177 4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 159 56.820 -2.561 2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.872 -3.132 4.455 1.00 0.00 H new ATOM 998 N HIS A 160 60.273 0.737 3.362 1.00 0.00 N ATOM 999 CA HIS A 160 61.134 1.839 3.842 1.00 0.00 C ATOM 1000 C HIS A 160 60.670 3.173 3.259 1.00 0.00 C ATOM 1001 O HIS A 160 59.740 3.232 2.479 1.00 0.00 O ATOM 1002 CB HIS A 160 62.528 1.489 3.327 1.00 0.00 C ATOM 1003 CG HIS A 160 63.134 0.437 4.210 1.00 0.00 C ATOM 1004 ND1 HIS A 160 62.728 -0.839 4.519 1.00 0.00 N flip ATOM 1005 CD2 HIS A 160 64.327 0.643 4.914 1.00 0.00 C flip ATOM 1006 CE1 HIS A 160 63.649 -1.391 5.385 1.00 0.00 C flip ATOM 1007 NE2 HIS A 160 64.591 -0.487 5.603 1.00 0.00 N flip ATOM 0 H HIS A 160 60.607 0.265 2.522 1.00 0.00 H new ATOM 0 HA HIS A 160 61.106 1.945 4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.469 1.128 2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.158 2.378 3.316 1.00 0.00 H new ATOM 0 HD2 HIS A 160 64.926 1.542 4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 160 63.609 -2.383 5.809 1.00 0.00 H new ATOM 0 HE2 HIS A 160 65.402 -0.625 6.206 1.00 0.00 H new ATOM 1015 N LYS A 161 61.310 4.245 3.631 1.00 0.00 N ATOM 1016 CA LYS A 161 60.905 5.576 3.100 1.00 0.00 C ATOM 1017 C LYS A 161 61.890 6.650 3.567 1.00 0.00 C ATOM 1018 O LYS A 161 61.568 7.489 4.383 1.00 0.00 O ATOM 1019 CB LYS A 161 59.515 5.831 3.683 1.00 0.00 C ATOM 1020 CG LYS A 161 58.453 5.531 2.625 1.00 0.00 C ATOM 1021 CD LYS A 161 57.394 4.596 3.216 1.00 0.00 C ATOM 1022 CE LYS A 161 56.818 5.220 4.489 1.00 0.00 C ATOM 1023 NZ LYS A 161 55.350 5.288 4.252 1.00 0.00 N ATOM 0 H LYS A 161 62.097 4.258 4.280 1.00 0.00 H new ATOM 0 HA LYS A 161 60.898 5.602 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 161 59.357 5.204 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.432 6.867 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 161 57.988 6.458 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 161 58.914 5.070 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.599 4.424 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.835 3.625 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 161 57.049 4.614 5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 161 57.236 6.211 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 54.883 5.706 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 55.160 5.876 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 54.979 4.330 4.092 1.00 0.00 H new ATOM 1037 N LEU A 162 63.087 6.633 3.050 1.00 0.00 N ATOM 1038 CA LEU A 162 64.089 7.657 3.462 1.00 0.00 C ATOM 1039 C LEU A 162 64.095 8.809 2.454 1.00 0.00 C ATOM 1040 O LEU A 162 63.738 8.639 1.305 1.00 0.00 O ATOM 1041 CB LEU A 162 65.434 6.928 3.471 1.00 0.00 C ATOM 1042 CG LEU A 162 65.850 6.592 2.039 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.701 7.730 1.474 1.00 0.00 C ATOM 1044 CD2 LEU A 162 66.669 5.300 2.045 1.00 0.00 C ATOM 0 H LEU A 162 63.415 5.956 2.361 1.00 0.00 H new ATOM 0 HA LEU A 162 63.867 8.089 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 162 66.193 7.552 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 162 65.359 6.015 4.062 1.00 0.00 H new ATOM 0 HG LEU A 162 64.962 6.463 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 162 66.998 7.490 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.122 8.653 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.591 7.859 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 162 66.969 5.055 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.557 5.435 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 162 66.065 4.488 2.451 1.00 0.00 H new ATOM 1056 N ASN A 163 64.488 9.978 2.874 1.00 0.00 N ATOM 1057 CA ASN A 163 64.503 11.139 1.938 1.00 0.00 C ATOM 1058 C ASN A 163 63.095 11.385 1.387 1.00 0.00 C ATOM 1059 O ASN A 163 62.912 12.087 0.412 1.00 0.00 O ATOM 1060 CB ASN A 163 65.456 10.733 0.815 1.00 0.00 C ATOM 1061 CG ASN A 163 66.857 11.270 1.115 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.541 11.746 0.230 1.00 0.00 O ATOM 1063 ND2 ASN A 163 67.315 11.216 2.336 1.00 0.00 N ATOM 0 H ASN A 163 64.800 10.181 3.824 1.00 0.00 H new ATOM 0 HA ASN A 163 64.822 12.061 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.483 9.647 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.101 11.126 -0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 163 68.247 11.573 2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 163 66.741 10.817 3.079 1.00 0.00 H new ATOM 1070 N GLY A 164 62.099 10.810 2.007 1.00 0.00 N ATOM 1071 CA GLY A 164 60.702 11.008 1.523 1.00 0.00 C ATOM 1072 C GLY A 164 60.420 10.049 0.364 1.00 0.00 C ATOM 1073 O GLY A 164 59.568 10.300 -0.466 1.00 0.00 O ATOM 0 H GLY A 164 62.193 10.212 2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.997 10.831 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.562 12.039 1.198 1.00 0.00 H new ATOM 1077 N LYS A 165 61.129 8.956 0.296 1.00 0.00 N ATOM 1078 CA LYS A 165 60.899 7.989 -0.816 1.00 0.00 C ATOM 1079 C LYS A 165 61.217 6.559 -0.365 1.00 0.00 C ATOM 1080 O LYS A 165 62.078 6.334 0.464 1.00 0.00 O ATOM 1081 CB LYS A 165 61.867 8.426 -1.916 1.00 0.00 C ATOM 1082 CG LYS A 165 61.079 8.974 -3.106 1.00 0.00 C ATOM 1083 CD LYS A 165 61.733 8.505 -4.407 1.00 0.00 C ATOM 1084 CE LYS A 165 60.751 7.625 -5.184 1.00 0.00 C ATOM 1085 NZ LYS A 165 60.483 8.371 -6.444 1.00 0.00 N ATOM 0 H LYS A 165 61.856 8.690 0.960 1.00 0.00 H new ATOM 0 HA LYS A 165 59.861 7.988 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.546 9.189 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.480 7.582 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 165 60.045 8.631 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 165 61.055 10.063 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 165 62.024 9.365 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 165 62.643 7.947 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 165 61.177 6.643 -5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 165 59.834 7.462 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 59.817 7.831 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 60.071 9.299 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 61.374 8.505 -6.964 1.00 0.00 H new ATOM 1099 N VAL A 166 60.533 5.592 -0.917 1.00 0.00 N ATOM 1100 CA VAL A 166 60.794 4.171 -0.539 1.00 0.00 C ATOM 1101 C VAL A 166 62.071 3.680 -1.227 1.00 0.00 C ATOM 1102 O VAL A 166 62.673 4.386 -2.011 1.00 0.00 O ATOM 1103 CB VAL A 166 59.578 3.398 -1.053 1.00 0.00 C ATOM 1104 CG1 VAL A 166 59.659 1.943 -0.587 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.300 4.037 -0.506 1.00 0.00 C ATOM 0 H VAL A 166 59.802 5.725 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 166 60.934 4.041 0.534 1.00 0.00 H new ATOM 0 HB VAL A 166 59.564 3.429 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 166 58.792 1.394 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.569 1.486 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 166 59.674 1.910 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.433 3.487 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.316 4.007 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.240 5.073 -0.840 1.00 0.00 H new ATOM 1115 N ILE A 167 62.489 2.479 -0.944 1.00 0.00 N ATOM 1116 CA ILE A 167 63.731 1.954 -1.588 1.00 0.00 C ATOM 1117 C ILE A 167 63.590 0.467 -1.918 1.00 0.00 C ATOM 1118 O ILE A 167 62.557 -0.139 -1.714 1.00 0.00 O ATOM 1119 CB ILE A 167 64.870 2.139 -0.570 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.311 2.262 0.854 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.674 3.392 -0.917 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.304 1.659 1.848 1.00 0.00 C ATOM 0 H ILE A 167 62.029 1.838 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 167 63.926 2.486 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 167 65.519 1.264 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.130 3.309 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.352 1.748 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.479 3.519 -0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.097 3.288 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.020 4.263 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 167 64.906 1.747 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 167 65.463 0.607 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.252 2.193 1.784 1.00 0.00 H new ATOM 1134 N ASP A 168 64.644 -0.117 -2.413 1.00 0.00 N ATOM 1135 CA ASP A 168 64.629 -1.564 -2.753 1.00 0.00 C ATOM 1136 C ASP A 168 65.828 -2.231 -2.077 1.00 0.00 C ATOM 1137 O ASP A 168 66.927 -2.214 -2.602 1.00 0.00 O ATOM 1138 CB ASP A 168 64.756 -1.621 -4.276 1.00 0.00 C ATOM 1139 CG ASP A 168 64.779 -3.079 -4.733 1.00 0.00 C ATOM 1140 OD1 ASP A 168 64.844 -3.947 -3.878 1.00 0.00 O ATOM 1141 OD2 ASP A 168 64.733 -3.304 -5.931 1.00 0.00 O ATOM 0 H ASP A 168 65.529 0.356 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 168 63.728 -2.078 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 168 63.921 -1.097 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 168 65.667 -1.115 -4.594 1.00 0.00 H new ATOM 1146 N PRO A 169 65.576 -2.761 -0.912 1.00 0.00 N ATOM 1147 CA PRO A 169 66.642 -3.413 -0.115 1.00 0.00 C ATOM 1148 C PRO A 169 67.016 -4.785 -0.684 1.00 0.00 C ATOM 1149 O PRO A 169 66.242 -5.720 -0.653 1.00 0.00 O ATOM 1150 CB PRO A 169 66.016 -3.558 1.268 1.00 0.00 C ATOM 1151 CG PRO A 169 64.539 -3.581 1.028 1.00 0.00 C ATOM 1152 CD PRO A 169 64.277 -2.799 -0.234 1.00 0.00 C ATOM 0 HA PRO A 169 67.568 -2.837 -0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.350 -4.473 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.297 -2.728 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.182 -4.606 0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.006 -3.140 1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.520 -3.282 -0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 169 63.914 -1.795 -0.012 1.00 0.00 H new ATOM 1160 N LYS A 170 68.215 -4.909 -1.179 1.00 0.00 N ATOM 1161 CA LYS A 170 68.679 -6.215 -1.727 1.00 0.00 C ATOM 1162 C LYS A 170 70.038 -6.545 -1.130 1.00 0.00 C ATOM 1163 O LYS A 170 70.513 -5.869 -0.244 1.00 0.00 O ATOM 1164 CB LYS A 170 68.832 -6.005 -3.226 1.00 0.00 C ATOM 1165 CG LYS A 170 67.916 -6.971 -3.979 1.00 0.00 C ATOM 1166 CD LYS A 170 68.400 -7.113 -5.423 1.00 0.00 C ATOM 1167 CE LYS A 170 68.155 -5.803 -6.176 1.00 0.00 C ATOM 1168 NZ LYS A 170 67.741 -6.214 -7.548 1.00 0.00 N ATOM 0 H LYS A 170 68.900 -4.155 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 170 67.986 -7.024 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 170 68.583 -4.976 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.869 -6.167 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 170 67.914 -7.944 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 170 66.890 -6.603 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 170 69.461 -7.361 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 170 67.874 -7.931 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 170 67.380 -5.209 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 170 69.056 -5.190 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 67.556 -5.367 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 68.501 -6.772 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 66.877 -6.790 -7.492 1.00 0.00 H new ATOM 1182 N ARG A 171 70.681 -7.563 -1.611 1.00 0.00 N ATOM 1183 CA ARG A 171 72.018 -7.892 -1.058 1.00 0.00 C ATOM 1184 C ARG A 171 73.115 -7.209 -1.876 1.00 0.00 C ATOM 1185 O ARG A 171 72.847 -6.403 -2.746 1.00 0.00 O ATOM 1186 CB ARG A 171 72.131 -9.414 -1.139 1.00 0.00 C ATOM 1187 CG ARG A 171 71.376 -10.043 0.033 1.00 0.00 C ATOM 1188 CD ARG A 171 71.166 -11.536 -0.233 1.00 0.00 C ATOM 1189 NE ARG A 171 72.459 -12.178 0.133 1.00 0.00 N ATOM 1190 CZ ARG A 171 72.481 -13.147 1.007 1.00 0.00 C ATOM 1191 NH1 ARG A 171 72.139 -14.355 0.651 1.00 0.00 N ATOM 1192 NH2 ARG A 171 72.847 -12.908 2.236 1.00 0.00 N ATOM 0 H ARG A 171 70.346 -8.176 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 171 72.135 -7.542 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 171 71.720 -9.770 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 171 73.179 -9.714 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 171 71.937 -9.903 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 171 70.414 -9.548 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 171 70.345 -11.932 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 171 70.916 -11.719 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 171 73.327 -11.861 -0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 171 71.854 -14.542 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 171 72.156 -15.112 1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 171 73.116 -11.964 2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 171 72.864 -13.665 2.919 1.00 0.00 H new ATOM 1206 N ALA A 172 74.351 -7.523 -1.602 1.00 0.00 N ATOM 1207 CA ALA A 172 75.470 -6.891 -2.358 1.00 0.00 C ATOM 1208 C ALA A 172 76.711 -7.786 -2.308 1.00 0.00 C ATOM 1209 O ALA A 172 76.848 -8.624 -1.438 1.00 0.00 O ATOM 1210 CB ALA A 172 75.731 -5.567 -1.639 1.00 0.00 C ATOM 0 H ALA A 172 74.635 -8.191 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 172 75.229 -6.742 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.544 -5.038 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 172 74.830 -4.955 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 172 76.005 -5.764 -0.603 1.00 0.00 H new TER 1216 ALA A 172