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 15:sc= -1.66! USER MOD Set 1.2: A 160 HIS :FLIP no HE2:sc= -15.4! C(o=-19!,f=-17!) USER MOD Set 2.1: A 108 THR OG1 : rot 89:sc= -0.0986 USER MOD Set 2.2: A 163 ASN : amide:sc= -1.87 K(o=-2,f=-5!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 178:sc= -7.49! (180deg=-7.83!) USER MOD Single : A 105 SER OG : rot -159:sc= 0.0344 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0443 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 76:sc= 0.224 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 9:sc= -1.41 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 137 SER OG : rot -18:sc= 0.798 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot -21:sc= -2.79! 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 :FLIP amide:sc= -0.12 F(o=-0.69,f=-0.12) 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+ -156:sc= -0.0339 (180deg=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.651 -7.236 3.795 1.00 0.00 N ATOM 2 CA LYS A 98 76.353 -5.974 3.062 1.00 0.00 C ATOM 3 C LYS A 98 75.152 -6.170 2.131 1.00 0.00 C ATOM 4 O LYS A 98 74.931 -7.241 1.604 1.00 0.00 O ATOM 5 CB LYS A 98 77.616 -5.672 2.247 1.00 0.00 C ATOM 6 CG LYS A 98 78.867 -5.985 3.077 1.00 0.00 C ATOM 7 CD LYS A 98 79.652 -7.118 2.412 1.00 0.00 C ATOM 8 CE LYS A 98 80.689 -6.525 1.454 1.00 0.00 C ATOM 9 NZ LYS A 98 81.732 -7.579 1.309 1.00 0.00 N ATOM 0 HA LYS A 98 76.102 -5.159 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.619 -6.266 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.622 -4.624 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.492 -5.096 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.582 -6.271 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.147 -7.726 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 98 78.973 -7.775 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 98 80.241 -6.279 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.113 -5.603 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 82.477 -7.244 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 82.146 -7.788 2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 81.302 -8.442 0.920 1.00 0.00 H new ATOM 23 N MET A 99 74.384 -5.137 1.921 1.00 0.00 N ATOM 24 CA MET A 99 73.203 -5.251 1.014 1.00 0.00 C ATOM 25 C MET A 99 73.142 -4.019 0.112 1.00 0.00 C ATOM 26 O MET A 99 73.817 -3.037 0.347 1.00 0.00 O ATOM 27 CB MET A 99 71.947 -5.326 1.906 1.00 0.00 C ATOM 28 CG MET A 99 72.253 -4.885 3.344 1.00 0.00 C ATOM 29 SD MET A 99 72.465 -3.089 3.388 1.00 0.00 S ATOM 30 CE MET A 99 70.709 -2.653 3.364 1.00 0.00 C ATOM 0 H MET A 99 74.522 -4.217 2.338 1.00 0.00 H new ATOM 0 HA MET A 99 73.270 -6.136 0.382 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.164 -4.693 1.489 1.00 0.00 H new ATOM 0 HB3 MET A 99 71.563 -6.346 1.911 1.00 0.00 H new ATOM 0 HG2 MET A 99 71.442 -5.183 4.008 1.00 0.00 H new ATOM 0 HG3 MET A 99 73.156 -5.378 3.703 1.00 0.00 H new ATOM 0 HE1 MET A 99 70.602 -1.570 3.422 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.257 -3.013 2.440 1.00 0.00 H new ATOM 0 HE3 MET A 99 70.208 -3.113 4.216 1.00 0.00 H new ATOM 40 N PHE A 100 72.349 -4.056 -0.922 1.00 0.00 N ATOM 41 CA PHE A 100 72.270 -2.875 -1.825 1.00 0.00 C ATOM 42 C PHE A 100 70.897 -2.210 -1.723 1.00 0.00 C ATOM 43 O PHE A 100 69.900 -2.852 -1.470 1.00 0.00 O ATOM 44 CB PHE A 100 72.516 -3.423 -3.229 1.00 0.00 C ATOM 45 CG PHE A 100 72.185 -2.357 -4.244 1.00 0.00 C ATOM 46 CD1 PHE A 100 72.751 -1.083 -4.122 1.00 0.00 C ATOM 47 CD2 PHE A 100 71.306 -2.636 -5.297 1.00 0.00 C ATOM 48 CE1 PHE A 100 72.443 -0.090 -5.054 1.00 0.00 C ATOM 49 CE2 PHE A 100 71.002 -1.640 -6.233 1.00 0.00 C ATOM 50 CZ PHE A 100 71.571 -0.367 -6.109 1.00 0.00 C ATOM 0 H PHE A 100 71.757 -4.846 -1.179 1.00 0.00 H new ATOM 0 HA PHE A 100 73.000 -2.109 -1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 100 73.556 -3.732 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 100 71.902 -4.307 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 100 73.426 -0.868 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 100 70.863 -3.617 -5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 100 72.880 0.893 -4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 100 70.329 -1.854 -7.050 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.335 0.402 -6.830 1.00 0.00 H new ATOM 60 N ILE A 101 70.852 -0.920 -1.904 1.00 0.00 N ATOM 61 CA ILE A 101 69.555 -0.189 -1.806 1.00 0.00 C ATOM 62 C ILE A 101 69.281 0.571 -3.104 1.00 0.00 C ATOM 63 O ILE A 101 69.925 1.556 -3.407 1.00 0.00 O ATOM 64 CB ILE A 101 69.744 0.777 -0.635 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.475 0.065 0.508 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.381 1.241 -0.139 1.00 0.00 C ATOM 67 CD1 ILE A 101 69.766 -1.252 0.835 1.00 0.00 C ATOM 0 H ILE A 101 71.661 -0.336 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 101 68.706 -0.855 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 101 70.330 1.634 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.510 -0.129 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.500 0.704 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.513 1.930 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.853 1.747 -0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 101 67.801 0.379 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.289 -1.755 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 101 68.739 -1.047 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 101 69.764 -1.893 -0.047 1.00 0.00 H new ATOM 79 N GLY A 102 68.333 0.114 -3.879 1.00 0.00 N ATOM 80 CA GLY A 102 68.024 0.805 -5.164 1.00 0.00 C ATOM 81 C GLY A 102 66.770 1.665 -5.011 1.00 0.00 C ATOM 82 O GLY A 102 65.738 1.206 -4.565 1.00 0.00 O ATOM 0 H GLY A 102 67.761 -0.706 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.867 1.428 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.875 0.069 -5.955 1.00 0.00 H new ATOM 86 N GLY A 103 66.849 2.913 -5.389 1.00 0.00 N ATOM 87 CA GLY A 103 65.662 3.805 -5.275 1.00 0.00 C ATOM 88 C GLY A 103 66.000 5.006 -4.391 1.00 0.00 C ATOM 89 O GLY A 103 65.185 5.463 -3.614 1.00 0.00 O ATOM 0 H GLY A 103 67.686 3.352 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.355 4.145 -6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.822 3.255 -4.851 1.00 0.00 H new ATOM 93 N LEU A 104 67.193 5.522 -4.498 1.00 0.00 N ATOM 94 CA LEU A 104 67.569 6.695 -3.657 1.00 0.00 C ATOM 95 C LEU A 104 67.228 7.999 -4.384 1.00 0.00 C ATOM 96 O LEU A 104 67.173 8.050 -5.597 1.00 0.00 O ATOM 97 CB LEU A 104 69.080 6.572 -3.448 1.00 0.00 C ATOM 98 CG LEU A 104 69.358 6.050 -2.036 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.264 4.524 -2.027 1.00 0.00 C ATOM 100 CD2 LEU A 104 70.762 6.475 -1.602 1.00 0.00 C ATOM 0 H LEU A 104 67.921 5.185 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 104 67.031 6.711 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.507 5.895 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.558 7.541 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 104 68.622 6.464 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.462 4.153 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 104 68.264 4.219 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 104 69.999 4.110 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 104 70.960 6.103 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 104 71.497 6.062 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 104 70.831 7.563 -1.607 1.00 0.00 H new ATOM 112 N SER A 105 66.993 9.052 -3.651 1.00 0.00 N ATOM 113 CA SER A 105 66.649 10.353 -4.297 1.00 0.00 C ATOM 114 C SER A 105 67.921 11.079 -4.747 1.00 0.00 C ATOM 115 O SER A 105 68.987 10.881 -4.204 1.00 0.00 O ATOM 116 CB SER A 105 65.931 11.152 -3.211 1.00 0.00 C ATOM 117 OG SER A 105 64.547 10.827 -3.224 1.00 0.00 O ATOM 0 H SER A 105 67.024 9.069 -2.632 1.00 0.00 H new ATOM 0 HA SER A 105 66.032 10.222 -5.186 1.00 0.00 H new ATOM 0 HB2 SER A 105 66.360 10.927 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.067 12.220 -3.380 1.00 0.00 H new ATOM 0 HG SER A 105 64.039 11.543 -2.789 1.00 0.00 H new ATOM 123 N TRP A 106 67.815 11.921 -5.735 1.00 0.00 N ATOM 124 CA TRP A 106 69.018 12.658 -6.216 1.00 0.00 C ATOM 125 C TRP A 106 69.647 13.460 -5.069 1.00 0.00 C ATOM 126 O TRP A 106 70.758 13.936 -5.173 1.00 0.00 O ATOM 127 CB TRP A 106 68.493 13.602 -7.298 1.00 0.00 C ATOM 128 CG TRP A 106 68.044 12.808 -8.484 1.00 0.00 C ATOM 129 CD1 TRP A 106 68.867 12.215 -9.381 1.00 0.00 C ATOM 130 CD2 TRP A 106 66.685 12.511 -8.917 1.00 0.00 C ATOM 131 NE1 TRP A 106 68.098 11.575 -10.337 1.00 0.00 N ATOM 132 CE2 TRP A 106 66.748 11.728 -10.093 1.00 0.00 C ATOM 133 CE3 TRP A 106 65.417 12.842 -8.407 1.00 0.00 C ATOM 134 CZ2 TRP A 106 65.592 11.289 -10.742 1.00 0.00 C ATOM 135 CZ3 TRP A 106 64.252 12.401 -9.057 1.00 0.00 C ATOM 136 CH2 TRP A 106 64.341 11.626 -10.223 1.00 0.00 C ATOM 0 H TRP A 106 66.949 12.132 -6.231 1.00 0.00 H new ATOM 0 HA TRP A 106 69.789 11.986 -6.593 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.664 14.192 -6.908 1.00 0.00 H new ATOM 0 HB3 TRP A 106 69.273 14.304 -7.592 1.00 0.00 H new ATOM 0 HD1 TRP A 106 69.946 12.238 -9.355 1.00 0.00 H new ATOM 0 HE1 TRP A 106 68.482 11.054 -11.125 1.00 0.00 H new ATOM 0 HE3 TRP A 106 65.338 13.439 -7.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 65.666 10.693 -11.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 63.283 12.660 -8.657 1.00 0.00 H new ATOM 0 HH2 TRP A 106 63.442 11.290 -10.719 1.00 0.00 H new ATOM 147 N ASP A 107 68.943 13.629 -3.981 1.00 0.00 N ATOM 148 CA ASP A 107 69.512 14.420 -2.849 1.00 0.00 C ATOM 149 C ASP A 107 69.881 13.521 -1.660 1.00 0.00 C ATOM 150 O ASP A 107 69.990 13.985 -0.543 1.00 0.00 O ATOM 151 CB ASP A 107 68.398 15.389 -2.458 1.00 0.00 C ATOM 152 CG ASP A 107 67.099 14.611 -2.234 1.00 0.00 C ATOM 153 OD1 ASP A 107 66.433 14.316 -3.213 1.00 0.00 O ATOM 154 OD2 ASP A 107 66.794 14.324 -1.089 1.00 0.00 O ATOM 0 H ASP A 107 68.006 13.257 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 107 70.432 14.928 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 107 68.672 15.928 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.258 16.134 -3.242 1.00 0.00 H new ATOM 159 N THR A 108 70.086 12.250 -1.881 1.00 0.00 N ATOM 160 CA THR A 108 70.459 11.358 -0.741 1.00 0.00 C ATOM 161 C THR A 108 71.973 11.391 -0.525 1.00 0.00 C ATOM 162 O THR A 108 72.739 11.579 -1.450 1.00 0.00 O ATOM 163 CB THR A 108 70.007 9.953 -1.147 1.00 0.00 C ATOM 164 OG1 THR A 108 68.923 10.049 -2.058 1.00 0.00 O ATOM 165 CG2 THR A 108 69.561 9.179 0.093 1.00 0.00 C ATOM 0 H THR A 108 70.013 11.793 -2.790 1.00 0.00 H new ATOM 0 HA THR A 108 69.991 11.673 0.192 1.00 0.00 H new ATOM 0 HB THR A 108 70.837 9.430 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 108 69.269 10.100 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.240 8.179 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.393 9.103 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.732 9.702 0.570 1.00 0.00 H new ATOM 173 N THR A 109 72.411 11.211 0.689 1.00 0.00 N ATOM 174 CA THR A 109 73.876 11.233 0.969 1.00 0.00 C ATOM 175 C THR A 109 74.256 10.067 1.887 1.00 0.00 C ATOM 176 O THR A 109 73.416 9.477 2.535 1.00 0.00 O ATOM 177 CB THR A 109 74.119 12.564 1.681 1.00 0.00 C ATOM 178 OG1 THR A 109 73.419 12.569 2.918 1.00 0.00 O ATOM 179 CG2 THR A 109 73.620 13.713 0.802 1.00 0.00 C ATOM 0 H THR A 109 71.817 11.049 1.502 1.00 0.00 H new ATOM 0 HA THR A 109 74.471 11.135 0.061 1.00 0.00 H new ATOM 0 HB THR A 109 75.186 12.691 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 109 73.574 13.420 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.793 14.662 1.310 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.158 13.706 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.553 13.591 0.615 1.00 0.00 H new ATOM 187 N LYS A 110 75.517 9.739 1.953 1.00 0.00 N ATOM 188 CA LYS A 110 75.947 8.618 2.836 1.00 0.00 C ATOM 189 C LYS A 110 75.582 8.932 4.290 1.00 0.00 C ATOM 190 O LYS A 110 75.607 8.072 5.147 1.00 0.00 O ATOM 191 CB LYS A 110 77.466 8.542 2.671 1.00 0.00 C ATOM 192 CG LYS A 110 77.805 7.722 1.426 1.00 0.00 C ATOM 193 CD LYS A 110 79.278 7.924 1.063 1.00 0.00 C ATOM 194 CE LYS A 110 79.433 9.210 0.244 1.00 0.00 C ATOM 195 NZ LYS A 110 80.684 9.019 -0.542 1.00 0.00 N ATOM 0 H LYS A 110 76.267 10.197 1.435 1.00 0.00 H new ATOM 0 HA LYS A 110 75.463 7.676 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.883 9.545 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.916 8.086 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.607 6.666 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.170 8.026 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.882 7.983 1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.643 7.070 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 110 78.576 9.367 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 110 79.503 10.084 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 80.857 9.860 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 81.484 8.879 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 80.585 8.184 -1.154 1.00 0.00 H new ATOM 209 N LYS A 111 75.250 10.163 4.571 1.00 0.00 N ATOM 210 CA LYS A 111 74.891 10.540 5.968 1.00 0.00 C ATOM 211 C LYS A 111 73.426 10.200 6.260 1.00 0.00 C ATOM 212 O LYS A 111 73.126 9.435 7.155 1.00 0.00 O ATOM 213 CB LYS A 111 75.116 12.050 6.036 1.00 0.00 C ATOM 214 CG LYS A 111 76.573 12.329 6.409 1.00 0.00 C ATOM 215 CD LYS A 111 76.620 13.192 7.671 1.00 0.00 C ATOM 216 CE LYS A 111 77.920 14.000 7.690 1.00 0.00 C ATOM 217 NZ LYS A 111 78.728 13.401 8.788 1.00 0.00 N ATOM 0 H LYS A 111 75.212 10.924 3.893 1.00 0.00 H new ATOM 0 HA LYS A 111 75.487 10.001 6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 111 74.881 12.508 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.448 12.496 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 111 77.103 11.391 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.079 12.838 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.762 13.863 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.558 12.561 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 111 78.441 13.933 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 111 77.726 15.057 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 79.636 13.902 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 78.210 13.485 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 78.903 12.397 8.582 1.00 0.00 H new ATOM 231 N ASP A 112 72.510 10.764 5.519 1.00 0.00 N ATOM 232 CA ASP A 112 71.069 10.469 5.772 1.00 0.00 C ATOM 233 C ASP A 112 70.779 8.983 5.522 1.00 0.00 C ATOM 234 O ASP A 112 69.971 8.377 6.198 1.00 0.00 O ATOM 235 CB ASP A 112 70.298 11.362 4.791 1.00 0.00 C ATOM 236 CG ASP A 112 70.212 10.690 3.417 1.00 0.00 C ATOM 237 OD1 ASP A 112 71.227 10.194 2.959 1.00 0.00 O ATOM 238 OD2 ASP A 112 69.133 10.682 2.850 1.00 0.00 O ATOM 0 H ASP A 112 72.695 11.413 4.754 1.00 0.00 H new ATOM 0 HA ASP A 112 70.778 10.669 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.295 11.553 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.794 12.328 4.701 1.00 0.00 H new ATOM 243 N LEU A 113 71.434 8.392 4.560 1.00 0.00 N ATOM 244 CA LEU A 113 71.196 6.948 4.273 1.00 0.00 C ATOM 245 C LEU A 113 71.823 6.087 5.371 1.00 0.00 C ATOM 246 O LEU A 113 71.176 5.236 5.949 1.00 0.00 O ATOM 247 CB LEU A 113 71.876 6.689 2.926 1.00 0.00 C ATOM 248 CG LEU A 113 71.433 5.330 2.383 1.00 0.00 C ATOM 249 CD1 LEU A 113 70.011 5.440 1.831 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.380 4.894 1.263 1.00 0.00 C ATOM 0 H LEU A 113 72.123 8.846 3.961 1.00 0.00 H new ATOM 0 HA LEU A 113 70.135 6.701 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.617 7.477 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.959 6.710 3.044 1.00 0.00 H new ATOM 0 HG LEU A 113 71.456 4.594 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.695 4.471 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.335 5.751 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.988 6.177 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 113 72.064 3.925 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.357 5.631 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.394 4.815 1.654 1.00 0.00 H new ATOM 262 N LYS A 114 73.074 6.304 5.671 1.00 0.00 N ATOM 263 CA LYS A 114 73.728 5.498 6.739 1.00 0.00 C ATOM 264 C LYS A 114 72.941 5.635 8.043 1.00 0.00 C ATOM 265 O LYS A 114 72.792 4.690 8.792 1.00 0.00 O ATOM 266 CB LYS A 114 75.127 6.092 6.896 1.00 0.00 C ATOM 267 CG LYS A 114 75.801 5.485 8.129 1.00 0.00 C ATOM 268 CD LYS A 114 77.133 6.191 8.389 1.00 0.00 C ATOM 269 CE LYS A 114 78.212 5.150 8.692 1.00 0.00 C ATOM 270 NZ LYS A 114 79.352 5.509 7.805 1.00 0.00 N ATOM 0 H LYS A 114 73.669 7.002 5.225 1.00 0.00 H new ATOM 0 HA LYS A 114 73.768 4.437 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.722 5.889 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 114 75.065 7.175 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.150 5.585 8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 114 75.967 4.419 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.418 6.784 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 114 77.033 6.881 9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 114 78.504 5.178 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 114 77.855 4.141 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 80.133 4.839 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 79.046 5.467 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 79.675 6.472 8.027 1.00 0.00 H new ATOM 284 N ASP A 115 72.436 6.806 8.318 1.00 0.00 N ATOM 285 CA ASP A 115 71.660 6.999 9.574 1.00 0.00 C ATOM 286 C ASP A 115 70.301 6.328 9.455 1.00 0.00 C ATOM 287 O ASP A 115 69.946 5.497 10.267 1.00 0.00 O ATOM 288 CB ASP A 115 71.511 8.513 9.732 1.00 0.00 C ATOM 289 CG ASP A 115 72.680 9.062 10.550 1.00 0.00 C ATOM 290 OD1 ASP A 115 72.848 8.624 11.676 1.00 0.00 O ATOM 291 OD2 ASP A 115 73.388 9.912 10.037 1.00 0.00 O ATOM 0 H ASP A 115 72.527 7.634 7.730 1.00 0.00 H new ATOM 0 HA ASP A 115 72.156 6.557 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 115 71.484 8.990 8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.568 8.746 10.226 1.00 0.00 H new ATOM 296 N TYR A 116 69.540 6.652 8.449 1.00 0.00 N ATOM 297 CA TYR A 116 68.223 5.982 8.306 1.00 0.00 C ATOM 298 C TYR A 116 68.423 4.483 8.502 1.00 0.00 C ATOM 299 O TYR A 116 67.558 3.781 8.987 1.00 0.00 O ATOM 300 CB TYR A 116 67.765 6.257 6.880 1.00 0.00 C ATOM 301 CG TYR A 116 66.539 5.423 6.611 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.286 5.885 7.022 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.653 4.183 5.966 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.142 5.113 6.785 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.511 3.412 5.731 1.00 0.00 C ATOM 306 CZ TYR A 116 64.254 3.876 6.138 1.00 0.00 C ATOM 307 OH TYR A 116 63.127 3.114 5.908 1.00 0.00 O ATOM 0 H TYR A 116 69.769 7.340 7.731 1.00 0.00 H new ATOM 0 HA TYR A 116 67.492 6.340 9.031 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.541 7.316 6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.556 6.010 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.200 6.838 7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.622 3.824 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.174 5.471 7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.598 2.457 5.235 1.00 0.00 H new ATOM 0 HH TYR A 116 62.327 3.667 6.033 1.00 0.00 H new ATOM 317 N PHE A 117 69.570 3.992 8.113 1.00 0.00 N ATOM 318 CA PHE A 117 69.839 2.541 8.262 1.00 0.00 C ATOM 319 C PHE A 117 70.513 2.232 9.601 1.00 0.00 C ATOM 320 O PHE A 117 70.607 1.091 10.008 1.00 0.00 O ATOM 321 CB PHE A 117 70.723 2.171 7.070 1.00 0.00 C ATOM 322 CG PHE A 117 69.824 1.935 5.881 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.834 0.952 5.952 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.954 2.717 4.726 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.971 0.744 4.874 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.095 2.506 3.640 1.00 0.00 C ATOM 327 CZ PHE A 117 68.101 1.520 3.715 1.00 0.00 C ATOM 0 H PHE A 117 70.328 4.536 7.700 1.00 0.00 H new ATOM 0 HA PHE A 117 68.920 1.954 8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.433 2.971 6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.306 1.277 7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.736 0.351 6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.715 3.481 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.204 -0.014 4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.198 3.102 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.436 1.359 2.880 1.00 0.00 H new ATOM 337 N SER A 118 70.959 3.233 10.305 1.00 0.00 N ATOM 338 CA SER A 118 71.596 2.977 11.626 1.00 0.00 C ATOM 339 C SER A 118 70.524 2.545 12.632 1.00 0.00 C ATOM 340 O SER A 118 70.818 2.181 13.754 1.00 0.00 O ATOM 341 CB SER A 118 72.212 4.311 12.038 1.00 0.00 C ATOM 342 OG SER A 118 73.591 4.318 11.690 1.00 0.00 O ATOM 0 H SER A 118 70.911 4.213 10.025 1.00 0.00 H new ATOM 0 HA SER A 118 72.345 2.186 11.585 1.00 0.00 H new ATOM 0 HB2 SER A 118 71.695 5.132 11.541 1.00 0.00 H new ATOM 0 HB3 SER A 118 72.095 4.463 13.111 1.00 0.00 H new ATOM 0 HG SER A 118 73.684 4.447 10.723 1.00 0.00 H new ATOM 348 N LYS A 119 69.279 2.584 12.233 1.00 0.00 N ATOM 349 CA LYS A 119 68.181 2.178 13.155 1.00 0.00 C ATOM 350 C LYS A 119 67.984 0.661 13.107 1.00 0.00 C ATOM 351 O LYS A 119 67.310 0.086 13.940 1.00 0.00 O ATOM 352 CB LYS A 119 66.940 2.895 12.625 1.00 0.00 C ATOM 353 CG LYS A 119 65.710 2.441 13.413 1.00 0.00 C ATOM 354 CD LYS A 119 64.564 3.427 13.181 1.00 0.00 C ATOM 355 CE LYS A 119 63.718 2.959 11.996 1.00 0.00 C ATOM 356 NZ LYS A 119 62.323 3.351 12.340 1.00 0.00 N ATOM 0 H LYS A 119 68.976 2.881 11.305 1.00 0.00 H new ATOM 0 HA LYS A 119 68.393 2.438 14.192 1.00 0.00 H new ATOM 0 HB2 LYS A 119 67.065 3.974 12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.806 2.677 11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.412 1.441 13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.946 2.385 14.476 1.00 0.00 H new ATOM 0 HD2 LYS A 119 63.946 3.499 14.076 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.961 4.423 12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 119 64.043 3.430 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 119 63.801 1.882 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 61.682 3.063 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 62.039 2.882 13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 62.273 4.382 12.464 1.00 0.00 H new ATOM 370 N PHE A 120 68.569 0.007 12.141 1.00 0.00 N ATOM 371 CA PHE A 120 68.414 -1.472 12.045 1.00 0.00 C ATOM 372 C PHE A 120 69.517 -2.166 12.843 1.00 0.00 C ATOM 373 O PHE A 120 69.277 -3.111 13.568 1.00 0.00 O ATOM 374 CB PHE A 120 68.568 -1.800 10.562 1.00 0.00 C ATOM 375 CG PHE A 120 67.527 -1.069 9.749 1.00 0.00 C ATOM 376 CD1 PHE A 120 66.199 -1.513 9.741 1.00 0.00 C ATOM 377 CD2 PHE A 120 67.896 0.038 8.983 1.00 0.00 C ATOM 378 CE1 PHE A 120 65.244 -0.848 8.961 1.00 0.00 C ATOM 379 CE2 PHE A 120 66.940 0.707 8.209 1.00 0.00 C ATOM 380 CZ PHE A 120 65.617 0.264 8.195 1.00 0.00 C ATOM 0 H PHE A 120 69.146 0.432 11.415 1.00 0.00 H new ATOM 0 HA PHE A 120 67.456 -1.806 12.443 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.565 -1.520 10.223 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.469 -2.875 10.409 1.00 0.00 H new ATOM 0 HD1 PHE A 120 65.911 -2.367 10.336 1.00 0.00 H new ATOM 0 HD2 PHE A 120 68.921 0.379 8.987 1.00 0.00 H new ATOM 0 HE1 PHE A 120 64.220 -1.193 8.950 1.00 0.00 H new ATOM 0 HE2 PHE A 120 67.227 1.567 7.622 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.881 0.778 7.594 1.00 0.00 H new ATOM 390 N GLY A 121 70.725 -1.703 12.705 1.00 0.00 N ATOM 391 CA GLY A 121 71.856 -2.329 13.444 1.00 0.00 C ATOM 392 C GLY A 121 73.127 -1.514 13.210 1.00 0.00 C ATOM 393 O GLY A 121 73.080 -0.325 12.962 1.00 0.00 O ATOM 0 H GLY A 121 70.980 -0.915 12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.629 -2.372 14.509 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.002 -3.355 13.107 1.00 0.00 H new ATOM 397 N GLU A 122 74.266 -2.144 13.287 1.00 0.00 N ATOM 398 CA GLU A 122 75.541 -1.405 13.071 1.00 0.00 C ATOM 399 C GLU A 122 75.941 -1.439 11.592 1.00 0.00 C ATOM 400 O GLU A 122 75.700 -2.402 10.893 1.00 0.00 O ATOM 401 CB GLU A 122 76.574 -2.142 13.922 1.00 0.00 C ATOM 402 CG GLU A 122 76.431 -1.710 15.382 1.00 0.00 C ATOM 403 CD GLU A 122 77.380 -0.543 15.663 1.00 0.00 C ATOM 404 OE1 GLU A 122 77.875 0.036 14.711 1.00 0.00 O ATOM 405 OE2 GLU A 122 77.594 -0.248 16.828 1.00 0.00 O ATOM 0 H GLU A 122 74.369 -3.138 13.490 1.00 0.00 H new ATOM 0 HA GLU A 122 75.456 -0.354 13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.432 -3.219 13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.580 -1.923 13.563 1.00 0.00 H new ATOM 0 HG2 GLU A 122 75.402 -1.413 15.586 1.00 0.00 H new ATOM 0 HG3 GLU A 122 76.659 -2.546 16.044 1.00 0.00 H new ATOM 412 N VAL A 123 76.564 -0.396 11.121 1.00 0.00 N ATOM 413 CA VAL A 123 77.006 -0.356 9.696 1.00 0.00 C ATOM 414 C VAL A 123 78.475 0.035 9.615 1.00 0.00 C ATOM 415 O VAL A 123 78.903 1.023 10.178 1.00 0.00 O ATOM 416 CB VAL A 123 76.113 0.693 9.016 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.888 1.436 7.918 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.944 -0.025 8.355 1.00 0.00 C ATOM 0 H VAL A 123 76.788 0.437 11.664 1.00 0.00 H new ATOM 0 HA VAL A 123 76.913 -1.326 9.208 1.00 0.00 H new ATOM 0 HB VAL A 123 75.774 1.406 9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.237 2.174 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.750 1.939 8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.228 0.723 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.298 0.705 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.322 -0.729 7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.374 -0.565 9.111 1.00 0.00 H new ATOM 428 N VAL A 124 79.241 -0.722 8.892 1.00 0.00 N ATOM 429 CA VAL A 124 80.673 -0.384 8.740 1.00 0.00 C ATOM 430 C VAL A 124 80.814 0.544 7.546 1.00 0.00 C ATOM 431 O VAL A 124 81.754 1.308 7.448 1.00 0.00 O ATOM 432 CB VAL A 124 81.382 -1.719 8.477 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.622 -1.494 7.594 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.817 -2.329 9.810 1.00 0.00 C ATOM 0 H VAL A 124 78.936 -1.561 8.399 1.00 0.00 H new ATOM 0 HA VAL A 124 81.095 0.114 9.613 1.00 0.00 H new ATOM 0 HB VAL A 124 80.696 -2.393 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 124 83.118 -2.448 7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.317 -1.058 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.311 -0.817 8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.321 -3.278 9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.499 -1.647 10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.941 -2.498 10.436 1.00 0.00 H new ATOM 444 N ASP A 125 79.898 0.475 6.623 1.00 0.00 N ATOM 445 CA ASP A 125 80.024 1.354 5.440 1.00 0.00 C ATOM 446 C ASP A 125 78.666 1.715 4.838 1.00 0.00 C ATOM 447 O ASP A 125 77.649 1.127 5.149 1.00 0.00 O ATOM 448 CB ASP A 125 80.858 0.554 4.441 1.00 0.00 C ATOM 449 CG ASP A 125 82.334 0.925 4.596 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.612 1.888 5.292 1.00 0.00 O ATOM 451 OD2 ASP A 125 83.161 0.240 4.018 1.00 0.00 O ATOM 0 H ASP A 125 79.085 -0.140 6.638 1.00 0.00 H new ATOM 0 HA ASP A 125 80.485 2.305 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.721 -0.514 4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.525 0.762 3.424 1.00 0.00 H new ATOM 456 N CYS A 126 78.662 2.688 3.965 1.00 0.00 N ATOM 457 CA CYS A 126 77.398 3.125 3.306 1.00 0.00 C ATOM 458 C CYS A 126 77.732 4.035 2.128 1.00 0.00 C ATOM 459 O CYS A 126 78.575 4.905 2.218 1.00 0.00 O ATOM 460 CB CYS A 126 76.623 3.891 4.378 1.00 0.00 C ATOM 461 SG CYS A 126 74.904 4.094 3.847 1.00 0.00 S ATOM 0 H CYS A 126 79.493 3.205 3.678 1.00 0.00 H new ATOM 0 HA CYS A 126 76.816 2.288 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.662 3.353 5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 126 77.081 4.866 4.547 1.00 0.00 H new ATOM 0 HG CYS A 126 74.695 3.390 2.774 1.00 0.00 H new ATOM 467 N THR A 127 77.084 3.832 1.019 1.00 0.00 N ATOM 468 CA THR A 127 77.368 4.672 -0.173 1.00 0.00 C ATOM 469 C THR A 127 76.053 5.189 -0.774 1.00 0.00 C ATOM 470 O THR A 127 74.982 4.715 -0.456 1.00 0.00 O ATOM 471 CB THR A 127 78.115 3.722 -1.126 1.00 0.00 C ATOM 472 OG1 THR A 127 79.502 4.031 -1.101 1.00 0.00 O ATOM 473 CG2 THR A 127 77.594 3.864 -2.553 1.00 0.00 C ATOM 0 H THR A 127 76.368 3.118 0.886 1.00 0.00 H new ATOM 0 HA THR A 127 77.959 5.561 0.046 1.00 0.00 H new ATOM 0 HB THR A 127 77.950 2.696 -0.796 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.983 3.427 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.137 3.183 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.532 3.622 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 127 77.741 4.889 -2.894 1.00 0.00 H new ATOM 481 N LEU A 128 76.134 6.161 -1.642 1.00 0.00 N ATOM 482 CA LEU A 128 74.901 6.711 -2.270 1.00 0.00 C ATOM 483 C LEU A 128 75.230 7.239 -3.670 1.00 0.00 C ATOM 484 O LEU A 128 76.149 8.012 -3.853 1.00 0.00 O ATOM 485 CB LEU A 128 74.451 7.844 -1.329 1.00 0.00 C ATOM 486 CG LEU A 128 73.668 8.922 -2.094 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.647 9.842 -2.826 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.727 8.263 -3.108 1.00 0.00 C ATOM 0 H LEU A 128 77.005 6.599 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 128 74.115 5.966 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.829 7.434 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.323 8.293 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 128 73.079 9.506 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 128 74.091 10.607 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 128 75.308 10.319 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 128 75.240 9.257 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 128 72.175 9.033 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.310 7.673 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 128 72.026 7.613 -2.585 1.00 0.00 H new ATOM 500 N LYS A 129 74.480 6.832 -4.657 1.00 0.00 N ATOM 501 CA LYS A 129 74.741 7.318 -6.041 1.00 0.00 C ATOM 502 C LYS A 129 73.509 8.060 -6.571 1.00 0.00 C ATOM 503 O LYS A 129 72.694 7.504 -7.287 1.00 0.00 O ATOM 504 CB LYS A 129 75.016 6.058 -6.864 1.00 0.00 C ATOM 505 CG LYS A 129 76.157 5.265 -6.220 1.00 0.00 C ATOM 506 CD LYS A 129 77.443 5.473 -7.024 1.00 0.00 C ATOM 507 CE LYS A 129 78.455 6.254 -6.180 1.00 0.00 C ATOM 508 NZ LYS A 129 79.659 6.387 -7.047 1.00 0.00 N ATOM 0 H LYS A 129 73.698 6.184 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 129 75.578 8.015 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 129 74.117 5.443 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 129 75.279 6.329 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 129 76.303 5.590 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 129 75.904 4.205 -6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 129 77.862 4.510 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 129 77.225 6.016 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 129 78.063 7.231 -5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 129 78.690 5.725 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 80.398 6.912 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 80.015 5.442 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 79.406 6.900 -7.915 1.00 0.00 H new ATOM 522 N LEU A 130 73.373 9.313 -6.216 1.00 0.00 N ATOM 523 CA LEU A 130 72.204 10.116 -6.683 1.00 0.00 C ATOM 524 C LEU A 130 72.604 11.592 -6.812 1.00 0.00 C ATOM 525 O LEU A 130 71.773 12.478 -6.774 1.00 0.00 O ATOM 526 CB LEU A 130 71.142 9.958 -5.589 1.00 0.00 C ATOM 527 CG LEU A 130 69.979 9.095 -6.087 1.00 0.00 C ATOM 528 CD1 LEU A 130 69.561 9.543 -7.490 1.00 0.00 C ATOM 529 CD2 LEU A 130 70.414 7.630 -6.120 1.00 0.00 C ATOM 0 H LEU A 130 74.028 9.817 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 130 71.842 9.785 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 130 71.588 9.502 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 130 70.772 10.939 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 130 69.130 9.208 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 130 68.733 8.925 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 130 69.247 10.586 -7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 130 70.405 9.437 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 130 69.588 7.013 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 130 71.265 7.518 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 130 70.700 7.313 -5.117 1.00 0.00 H new ATOM 541 N ASP A 131 73.875 11.862 -6.949 1.00 0.00 N ATOM 542 CA ASP A 131 74.336 13.280 -7.062 1.00 0.00 C ATOM 543 C ASP A 131 73.947 13.876 -8.422 1.00 0.00 C ATOM 544 O ASP A 131 74.423 13.439 -9.449 1.00 0.00 O ATOM 545 CB ASP A 131 75.857 13.209 -6.930 1.00 0.00 C ATOM 546 CG ASP A 131 76.231 12.880 -5.482 1.00 0.00 C ATOM 547 OD1 ASP A 131 76.280 11.706 -5.156 1.00 0.00 O ATOM 548 OD2 ASP A 131 76.465 13.808 -4.726 1.00 0.00 O ATOM 0 H ASP A 131 74.616 11.162 -6.988 1.00 0.00 H new ATOM 0 HA ASP A 131 73.881 13.916 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 131 76.255 12.448 -7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 131 76.303 14.159 -7.225 1.00 0.00 H new ATOM 553 N PRO A 132 73.091 14.866 -8.376 1.00 0.00 N ATOM 554 CA PRO A 132 72.631 15.540 -9.605 1.00 0.00 C ATOM 555 C PRO A 132 73.565 16.704 -9.956 1.00 0.00 C ATOM 556 O PRO A 132 73.600 17.170 -11.078 1.00 0.00 O ATOM 557 CB PRO A 132 71.252 16.060 -9.216 1.00 0.00 C ATOM 558 CG PRO A 132 71.282 16.214 -7.721 1.00 0.00 C ATOM 559 CD PRO A 132 72.470 15.443 -7.187 1.00 0.00 C ATOM 0 HA PRO A 132 72.614 14.887 -10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 132 71.041 17.012 -9.703 1.00 0.00 H new ATOM 0 HB3 PRO A 132 70.471 15.365 -9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 132 71.359 17.267 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 132 70.358 15.839 -7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 132 73.161 16.096 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 132 72.159 14.669 -6.486 1.00 0.00 H new ATOM 567 N ILE A 133 74.318 17.181 -9.001 1.00 0.00 N ATOM 568 CA ILE A 133 75.246 18.317 -9.276 1.00 0.00 C ATOM 569 C ILE A 133 76.609 17.781 -9.736 1.00 0.00 C ATOM 570 O ILE A 133 77.286 18.386 -10.543 1.00 0.00 O ATOM 571 CB ILE A 133 75.352 19.070 -7.938 1.00 0.00 C ATOM 572 CG1 ILE A 133 75.626 20.554 -8.205 1.00 0.00 C ATOM 573 CG2 ILE A 133 76.478 18.481 -7.078 1.00 0.00 C ATOM 574 CD1 ILE A 133 77.099 20.753 -8.555 1.00 0.00 C ATOM 0 H ILE A 133 74.331 16.833 -8.042 1.00 0.00 H new ATOM 0 HA ILE A 133 74.892 18.973 -10.072 1.00 0.00 H new ATOM 0 HB ILE A 133 74.411 18.964 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 133 74.998 20.908 -9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 133 75.369 21.145 -7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 133 76.539 19.025 -6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 133 76.271 17.430 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 133 77.426 18.569 -7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 133 77.289 21.810 -8.744 1.00 0.00 H new ATOM 0 HD12 ILE A 133 77.719 20.416 -7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 133 77.342 20.176 -9.447 1.00 0.00 H new ATOM 586 N THR A 134 77.010 16.647 -9.230 1.00 0.00 N ATOM 587 CA THR A 134 78.322 16.068 -9.639 1.00 0.00 C ATOM 588 C THR A 134 78.142 15.161 -10.860 1.00 0.00 C ATOM 589 O THR A 134 79.099 14.717 -11.464 1.00 0.00 O ATOM 590 CB THR A 134 78.795 15.255 -8.432 1.00 0.00 C ATOM 591 OG1 THR A 134 77.930 15.489 -7.329 1.00 0.00 O ATOM 592 CG2 THR A 134 80.218 15.672 -8.062 1.00 0.00 C ATOM 0 H THR A 134 76.486 16.096 -8.551 1.00 0.00 H new ATOM 0 HA THR A 134 79.042 16.837 -9.917 1.00 0.00 H new ATOM 0 HB THR A 134 78.780 14.194 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 134 78.234 14.966 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 134 80.555 15.093 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 134 80.882 15.488 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 134 80.233 16.733 -7.813 1.00 0.00 H new ATOM 600 N GLY A 135 76.921 14.884 -11.229 1.00 0.00 N ATOM 601 CA GLY A 135 76.680 14.009 -12.413 1.00 0.00 C ATOM 602 C GLY A 135 76.988 12.556 -12.051 1.00 0.00 C ATOM 603 O GLY A 135 77.451 11.788 -12.869 1.00 0.00 O ATOM 0 H GLY A 135 76.080 15.225 -10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 135 75.644 14.101 -12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 135 77.307 14.327 -13.246 1.00 0.00 H new ATOM 607 N ARG A 136 76.735 12.172 -10.830 1.00 0.00 N ATOM 608 CA ARG A 136 77.013 10.765 -10.421 1.00 0.00 C ATOM 609 C ARG A 136 75.770 10.149 -9.777 1.00 0.00 C ATOM 610 O ARG A 136 75.863 9.284 -8.928 1.00 0.00 O ATOM 611 CB ARG A 136 78.152 10.863 -9.407 1.00 0.00 C ATOM 612 CG ARG A 136 79.232 9.836 -9.754 1.00 0.00 C ATOM 613 CD ARG A 136 80.389 9.951 -8.759 1.00 0.00 C ATOM 614 NE ARG A 136 81.616 9.999 -9.603 1.00 0.00 N ATOM 615 CZ ARG A 136 82.316 8.915 -9.798 1.00 0.00 C ATOM 616 NH1 ARG A 136 81.841 7.955 -10.541 1.00 0.00 N ATOM 617 NH2 ARG A 136 83.495 8.793 -9.250 1.00 0.00 N ATOM 0 H ARG A 136 76.349 12.769 -10.099 1.00 0.00 H new ATOM 0 HA ARG A 136 77.278 10.133 -11.268 1.00 0.00 H new ATOM 0 HB2 ARG A 136 78.574 11.868 -9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 136 77.774 10.683 -8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 136 78.814 8.830 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 136 79.594 10.003 -10.769 1.00 0.00 H new ATOM 0 HD2 ARG A 136 80.296 10.848 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 136 80.411 9.100 -8.078 1.00 0.00 H new ATOM 0 HE ARG A 136 81.909 10.879 -10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 136 80.921 8.050 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 136 82.389 7.108 -10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 136 83.868 9.545 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 136 84.043 7.946 -9.402 1.00 0.00 H new ATOM 631 N SER A 137 74.606 10.586 -10.174 1.00 0.00 N ATOM 632 CA SER A 137 73.360 10.022 -9.585 1.00 0.00 C ATOM 633 C SER A 137 72.915 8.792 -10.379 1.00 0.00 C ATOM 634 O SER A 137 72.360 8.902 -11.455 1.00 0.00 O ATOM 635 CB SER A 137 72.324 11.146 -9.689 1.00 0.00 C ATOM 636 OG SER A 137 71.691 11.085 -10.961 1.00 0.00 O ATOM 0 H SER A 137 74.465 11.308 -10.880 1.00 0.00 H new ATOM 0 HA SER A 137 73.497 9.698 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 137 71.583 11.048 -8.896 1.00 0.00 H new ATOM 0 HB3 SER A 137 72.806 12.114 -9.556 1.00 0.00 H new ATOM 0 HG SER A 137 72.239 10.551 -11.574 1.00 0.00 H new ATOM 642 N ARG A 138 73.158 7.621 -9.857 1.00 0.00 N ATOM 643 CA ARG A 138 72.753 6.382 -10.580 1.00 0.00 C ATOM 644 C ARG A 138 71.331 5.981 -10.182 1.00 0.00 C ATOM 645 O ARG A 138 70.773 5.032 -10.697 1.00 0.00 O ATOM 646 CB ARG A 138 73.761 5.320 -10.141 1.00 0.00 C ATOM 647 CG ARG A 138 74.561 4.839 -11.354 1.00 0.00 C ATOM 648 CD ARG A 138 73.654 4.029 -12.284 1.00 0.00 C ATOM 649 NE ARG A 138 74.423 3.902 -13.554 1.00 0.00 N ATOM 650 CZ ARG A 138 73.800 3.669 -14.678 1.00 0.00 C ATOM 651 NH1 ARG A 138 72.575 3.221 -14.666 1.00 0.00 N ATOM 652 NH2 ARG A 138 74.406 3.884 -15.814 1.00 0.00 N ATOM 0 H ARG A 138 73.620 7.469 -8.960 1.00 0.00 H new ATOM 0 HA ARG A 138 72.751 6.514 -11.662 1.00 0.00 H new ATOM 0 HB2 ARG A 138 74.434 5.732 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 138 73.242 4.480 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 138 74.977 5.693 -11.889 1.00 0.00 H new ATOM 0 HG3 ARG A 138 75.402 4.227 -11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 138 73.426 3.051 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 138 72.702 4.535 -12.447 1.00 0.00 H new ATOM 0 HE ARG A 138 75.439 3.997 -13.546 1.00 0.00 H new ATOM 0 HH11 ARG A 138 72.102 3.052 -13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 138 72.090 3.040 -15.545 1.00 0.00 H new ATOM 0 HH21 ARG A 138 75.364 4.233 -15.823 1.00 0.00 H new ATOM 0 HH22 ARG A 138 73.921 3.703 -16.693 1.00 0.00 H new ATOM 666 N GLY A 139 70.732 6.708 -9.278 1.00 0.00 N ATOM 667 CA GLY A 139 69.340 6.384 -8.858 1.00 0.00 C ATOM 668 C GLY A 139 69.343 5.420 -7.668 1.00 0.00 C ATOM 669 O GLY A 139 68.308 4.929 -7.262 1.00 0.00 O ATOM 0 H GLY A 139 71.148 7.514 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.814 7.300 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 139 68.798 5.938 -9.692 1.00 0.00 H new ATOM 673 N PHE A 140 70.482 5.142 -7.089 1.00 0.00 N ATOM 674 CA PHE A 140 70.484 4.205 -5.924 1.00 0.00 C ATOM 675 C PHE A 140 71.743 4.367 -5.072 1.00 0.00 C ATOM 676 O PHE A 140 72.671 5.063 -5.429 1.00 0.00 O ATOM 677 CB PHE A 140 70.423 2.798 -6.522 1.00 0.00 C ATOM 678 CG PHE A 140 71.524 2.600 -7.537 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.841 2.395 -7.109 1.00 0.00 C ATOM 680 CD2 PHE A 140 71.223 2.596 -8.903 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.859 2.190 -8.049 1.00 0.00 C ATOM 682 CE2 PHE A 140 72.239 2.389 -9.843 1.00 0.00 C ATOM 683 CZ PHE A 140 73.557 2.186 -9.416 1.00 0.00 C ATOM 0 H PHE A 140 71.392 5.513 -7.363 1.00 0.00 H new ATOM 0 HA PHE A 140 69.641 4.406 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.515 2.056 -5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.454 2.640 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 140 73.072 2.395 -6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 140 70.206 2.753 -9.232 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.876 2.035 -7.720 1.00 0.00 H new ATOM 0 HE2 PHE A 140 72.006 2.386 -10.898 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.341 2.026 -10.142 1.00 0.00 H new ATOM 693 N GLY A 141 71.767 3.717 -3.939 1.00 0.00 N ATOM 694 CA GLY A 141 72.949 3.805 -3.039 1.00 0.00 C ATOM 695 C GLY A 141 73.228 2.424 -2.446 1.00 0.00 C ATOM 696 O GLY A 141 72.548 1.460 -2.743 1.00 0.00 O ATOM 0 H GLY A 141 71.011 3.124 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.818 4.159 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 141 72.763 4.526 -2.243 1.00 0.00 H new ATOM 700 N PHE A 142 74.223 2.317 -1.613 1.00 0.00 N ATOM 701 CA PHE A 142 74.542 0.994 -1.010 1.00 0.00 C ATOM 702 C PHE A 142 74.635 1.100 0.515 1.00 0.00 C ATOM 703 O PHE A 142 74.890 2.153 1.063 1.00 0.00 O ATOM 704 CB PHE A 142 75.905 0.616 -1.591 1.00 0.00 C ATOM 705 CG PHE A 142 75.736 0.085 -2.994 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.295 0.934 -4.017 1.00 0.00 C ATOM 707 CD2 PHE A 142 76.023 -1.256 -3.271 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.140 0.439 -5.319 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.870 -1.750 -4.573 1.00 0.00 C ATOM 710 CZ PHE A 142 75.425 -0.901 -5.596 1.00 0.00 C ATOM 0 H PHE A 142 74.828 3.086 -1.324 1.00 0.00 H new ATOM 0 HA PHE A 142 73.773 0.253 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.561 1.487 -1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.382 -0.137 -0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.075 1.969 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.362 -1.910 -2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.800 1.093 -6.108 1.00 0.00 H new ATOM 0 HE2 PHE A 142 76.095 -2.784 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.302 -1.283 -6.599 1.00 0.00 H new ATOM 720 N VAL A 143 74.447 0.005 1.198 1.00 0.00 N ATOM 721 CA VAL A 143 74.545 0.017 2.686 1.00 0.00 C ATOM 722 C VAL A 143 75.294 -1.229 3.142 1.00 0.00 C ATOM 723 O VAL A 143 75.019 -2.330 2.708 1.00 0.00 O ATOM 724 CB VAL A 143 73.101 0.024 3.197 1.00 0.00 C ATOM 725 CG1 VAL A 143 73.057 -0.458 4.652 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.553 1.451 3.127 1.00 0.00 C ATOM 0 H VAL A 143 74.228 -0.903 0.788 1.00 0.00 H new ATOM 0 HA VAL A 143 75.088 0.880 3.070 1.00 0.00 H new ATOM 0 HB VAL A 143 72.498 -0.642 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 143 72.026 -0.450 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.453 -1.472 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.660 0.204 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.525 1.464 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.165 2.106 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.578 1.800 2.095 1.00 0.00 H new ATOM 736 N LEU A 144 76.253 -1.058 3.999 1.00 0.00 N ATOM 737 CA LEU A 144 77.047 -2.218 4.470 1.00 0.00 C ATOM 738 C LEU A 144 76.850 -2.408 5.974 1.00 0.00 C ATOM 739 O LEU A 144 77.333 -1.633 6.778 1.00 0.00 O ATOM 740 CB LEU A 144 78.482 -1.822 4.142 1.00 0.00 C ATOM 741 CG LEU A 144 78.844 -2.320 2.739 1.00 0.00 C ATOM 742 CD1 LEU A 144 77.729 -1.953 1.756 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.150 -1.665 2.287 1.00 0.00 C ATOM 0 H LEU A 144 76.523 -0.158 4.397 1.00 0.00 H new ATOM 0 HA LEU A 144 76.762 -3.162 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.592 -0.739 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.165 -2.248 4.877 1.00 0.00 H new ATOM 0 HG LEU A 144 78.965 -3.403 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 144 77.991 -2.309 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.796 -2.418 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 144 77.606 -0.870 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.408 -2.019 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.026 -0.582 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.948 -1.926 2.982 1.00 0.00 H new ATOM 755 N PHE A 145 76.130 -3.427 6.359 1.00 0.00 N ATOM 756 CA PHE A 145 75.884 -3.661 7.809 1.00 0.00 C ATOM 757 C PHE A 145 77.083 -4.344 8.462 1.00 0.00 C ATOM 758 O PHE A 145 77.979 -4.826 7.797 1.00 0.00 O ATOM 759 CB PHE A 145 74.664 -4.576 7.855 1.00 0.00 C ATOM 760 CG PHE A 145 73.414 -3.736 7.903 1.00 0.00 C ATOM 761 CD1 PHE A 145 73.126 -2.971 9.040 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.542 -3.722 6.808 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.964 -2.192 9.080 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.382 -2.942 6.848 1.00 0.00 C ATOM 765 CZ PHE A 145 71.091 -2.177 7.985 1.00 0.00 C ATOM 0 H PHE A 145 75.702 -4.107 5.731 1.00 0.00 H new ATOM 0 HA PHE A 145 75.726 -2.728 8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.647 -5.224 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.714 -5.225 8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.799 -2.982 9.884 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.765 -4.314 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.740 -1.602 9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.710 -2.929 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.194 -1.576 8.017 1.00 0.00 H new ATOM 775 N LYS A 146 77.104 -4.385 9.763 1.00 0.00 N ATOM 776 CA LYS A 146 78.241 -5.031 10.471 1.00 0.00 C ATOM 777 C LYS A 146 77.884 -6.467 10.870 1.00 0.00 C ATOM 778 O LYS A 146 78.753 -7.295 11.063 1.00 0.00 O ATOM 779 CB LYS A 146 78.475 -4.171 11.712 1.00 0.00 C ATOM 780 CG LYS A 146 79.979 -4.039 11.967 1.00 0.00 C ATOM 781 CD LYS A 146 80.409 -5.051 13.029 1.00 0.00 C ATOM 782 CE LYS A 146 81.338 -6.089 12.396 1.00 0.00 C ATOM 783 NZ LYS A 146 82.343 -6.399 13.450 1.00 0.00 N ATOM 0 H LYS A 146 76.380 -3.998 10.368 1.00 0.00 H new ATOM 0 HA LYS A 146 79.130 -5.094 9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.031 -3.185 11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.987 -4.621 12.577 1.00 0.00 H new ATOM 0 HG2 LYS A 146 80.531 -4.209 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.215 -3.027 12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.918 -4.542 13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 146 79.534 -5.542 13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 146 80.788 -6.982 12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.816 -5.696 11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 83.017 -7.105 13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 82.855 -5.531 13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 81.860 -6.777 14.290 1.00 0.00 H new ATOM 797 N GLU A 147 76.620 -6.780 11.003 1.00 0.00 N ATOM 798 CA GLU A 147 76.249 -8.171 11.395 1.00 0.00 C ATOM 799 C GLU A 147 74.989 -8.630 10.656 1.00 0.00 C ATOM 800 O GLU A 147 74.218 -7.832 10.155 1.00 0.00 O ATOM 801 CB GLU A 147 75.994 -8.101 12.900 1.00 0.00 C ATOM 802 CG GLU A 147 75.129 -6.880 13.219 1.00 0.00 C ATOM 803 CD GLU A 147 74.167 -7.218 14.359 1.00 0.00 C ATOM 804 OE1 GLU A 147 74.515 -8.057 15.173 1.00 0.00 O ATOM 805 OE2 GLU A 147 73.097 -6.634 14.396 1.00 0.00 O ATOM 0 H GLU A 147 75.838 -6.141 10.859 1.00 0.00 H new ATOM 0 HA GLU A 147 77.031 -8.887 11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 147 75.496 -9.010 13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 147 76.941 -8.039 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.761 -6.037 13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 147 74.569 -6.577 12.334 1.00 0.00 H new ATOM 812 N SER A 148 74.773 -9.917 10.589 1.00 0.00 N ATOM 813 CA SER A 148 73.565 -10.438 9.890 1.00 0.00 C ATOM 814 C SER A 148 72.303 -9.981 10.623 1.00 0.00 C ATOM 815 O SER A 148 71.269 -9.758 10.022 1.00 0.00 O ATOM 816 CB SER A 148 73.701 -11.959 9.946 1.00 0.00 C ATOM 817 OG SER A 148 72.839 -12.544 8.978 1.00 0.00 O ATOM 0 H SER A 148 75.383 -10.630 10.989 1.00 0.00 H new ATOM 0 HA SER A 148 73.487 -10.077 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 148 74.734 -12.251 9.754 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.447 -12.322 10.942 1.00 0.00 H new ATOM 0 HG SER A 148 72.925 -13.520 9.010 1.00 0.00 H new ATOM 823 N GLU A 149 72.380 -9.833 11.916 1.00 0.00 N ATOM 824 CA GLU A 149 71.187 -9.382 12.685 1.00 0.00 C ATOM 825 C GLU A 149 70.741 -8.003 12.192 1.00 0.00 C ATOM 826 O GLU A 149 69.574 -7.765 11.949 1.00 0.00 O ATOM 827 CB GLU A 149 71.659 -9.310 14.137 1.00 0.00 C ATOM 828 CG GLU A 149 71.489 -10.679 14.796 1.00 0.00 C ATOM 829 CD GLU A 149 71.189 -10.493 16.284 1.00 0.00 C ATOM 830 OE1 GLU A 149 71.885 -9.714 16.915 1.00 0.00 O ATOM 831 OE2 GLU A 149 70.267 -11.130 16.766 1.00 0.00 O ATOM 0 H GLU A 149 73.217 -10.005 12.473 1.00 0.00 H new ATOM 0 HA GLU A 149 70.336 -10.053 12.569 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.704 -9.003 14.176 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.085 -8.559 14.680 1.00 0.00 H new ATOM 0 HG2 GLU A 149 70.679 -11.228 14.316 1.00 0.00 H new ATOM 0 HG3 GLU A 149 72.395 -11.272 14.668 1.00 0.00 H new ATOM 838 N SER A 150 71.662 -7.094 12.042 1.00 0.00 N ATOM 839 CA SER A 150 71.292 -5.732 11.564 1.00 0.00 C ATOM 840 C SER A 150 70.663 -5.812 10.168 1.00 0.00 C ATOM 841 O SER A 150 69.696 -5.130 9.865 1.00 0.00 O ATOM 842 CB SER A 150 72.612 -4.957 11.523 1.00 0.00 C ATOM 843 OG SER A 150 73.567 -5.679 10.752 1.00 0.00 O ATOM 0 H SER A 150 72.655 -7.234 12.229 1.00 0.00 H new ATOM 0 HA SER A 150 70.558 -5.250 12.210 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.452 -3.970 11.090 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.987 -4.804 12.535 1.00 0.00 H new ATOM 0 HG SER A 150 73.308 -6.623 10.711 1.00 0.00 H new ATOM 849 N VAL A 151 71.203 -6.636 9.311 1.00 0.00 N ATOM 850 CA VAL A 151 70.640 -6.754 7.934 1.00 0.00 C ATOM 851 C VAL A 151 69.267 -7.434 7.965 1.00 0.00 C ATOM 852 O VAL A 151 68.329 -6.985 7.337 1.00 0.00 O ATOM 853 CB VAL A 151 71.644 -7.609 7.160 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.403 -7.436 5.659 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.067 -7.159 7.499 1.00 0.00 C ATOM 0 H VAL A 151 72.008 -7.232 9.504 1.00 0.00 H new ATOM 0 HA VAL A 151 70.494 -5.777 7.472 1.00 0.00 H new ATOM 0 HB VAL A 151 71.519 -8.656 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.117 -8.044 5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.389 -7.753 5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.531 -6.388 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 151 73.783 -7.769 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.193 -6.112 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.240 -7.275 8.569 1.00 0.00 H new ATOM 865 N ASP A 152 69.140 -8.514 8.686 1.00 0.00 N ATOM 866 CA ASP A 152 67.824 -9.212 8.742 1.00 0.00 C ATOM 867 C ASP A 152 66.720 -8.218 9.123 1.00 0.00 C ATOM 868 O ASP A 152 65.617 -8.278 8.621 1.00 0.00 O ATOM 869 CB ASP A 152 67.997 -10.309 9.807 1.00 0.00 C ATOM 870 CG ASP A 152 67.561 -9.804 11.188 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.396 -9.470 11.335 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.396 -9.764 12.074 1.00 0.00 O ATOM 0 H ASP A 152 69.885 -8.941 9.236 1.00 0.00 H new ATOM 0 HA ASP A 152 67.532 -9.640 7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.408 -11.184 9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.040 -10.625 9.843 1.00 0.00 H new ATOM 877 N LYS A 153 67.012 -7.307 10.011 1.00 0.00 N ATOM 878 CA LYS A 153 65.979 -6.315 10.423 1.00 0.00 C ATOM 879 C LYS A 153 65.627 -5.394 9.252 1.00 0.00 C ATOM 880 O LYS A 153 64.495 -5.343 8.813 1.00 0.00 O ATOM 881 CB LYS A 153 66.618 -5.518 11.559 1.00 0.00 C ATOM 882 CG LYS A 153 65.525 -4.794 12.348 1.00 0.00 C ATOM 883 CD LYS A 153 65.333 -5.478 13.702 1.00 0.00 C ATOM 884 CE LYS A 153 64.864 -4.447 14.731 1.00 0.00 C ATOM 885 NZ LYS A 153 65.572 -4.812 15.989 1.00 0.00 N ATOM 0 H LYS A 153 67.919 -7.207 10.468 1.00 0.00 H new ATOM 0 HA LYS A 153 65.052 -6.796 10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.176 -6.184 12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.330 -4.797 11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 153 65.798 -3.749 12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 153 64.590 -4.805 11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 153 64.601 -6.281 13.616 1.00 0.00 H new ATOM 0 HD3 LYS A 153 66.268 -5.933 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 153 65.114 -3.434 14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 153 63.782 -4.483 14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 65.302 -4.150 16.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 65.310 -5.779 16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 66.599 -4.762 15.836 1.00 0.00 H new ATOM 899 N VAL A 154 66.579 -4.662 8.744 1.00 0.00 N ATOM 900 CA VAL A 154 66.276 -3.746 7.604 1.00 0.00 C ATOM 901 C VAL A 154 65.505 -4.492 6.513 1.00 0.00 C ATOM 902 O VAL A 154 64.806 -3.896 5.719 1.00 0.00 O ATOM 903 CB VAL A 154 67.639 -3.281 7.089 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.427 -4.487 6.579 1.00 0.00 C ATOM 905 CG2 VAL A 154 67.445 -2.283 5.946 1.00 0.00 C ATOM 0 H VAL A 154 67.547 -4.656 9.064 1.00 0.00 H new ATOM 0 HA VAL A 154 65.653 -2.904 7.906 1.00 0.00 H new ATOM 0 HB VAL A 154 68.186 -2.801 7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.399 -4.158 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.569 -5.199 7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.876 -4.966 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 154 68.418 -1.954 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.896 -2.761 5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.882 -1.422 6.306 1.00 0.00 H new ATOM 915 N MET A 155 65.617 -5.790 6.472 1.00 0.00 N ATOM 916 CA MET A 155 64.877 -6.564 5.437 1.00 0.00 C ATOM 917 C MET A 155 63.499 -6.956 5.972 1.00 0.00 C ATOM 918 O MET A 155 62.569 -7.175 5.221 1.00 0.00 O ATOM 919 CB MET A 155 65.730 -7.806 5.178 1.00 0.00 C ATOM 920 CG MET A 155 65.021 -8.714 4.170 1.00 0.00 C ATOM 921 SD MET A 155 66.246 -9.457 3.064 1.00 0.00 S ATOM 922 CE MET A 155 65.198 -9.549 1.590 1.00 0.00 C ATOM 0 H MET A 155 66.187 -6.347 7.108 1.00 0.00 H new ATOM 0 HA MET A 155 64.717 -5.991 4.524 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.708 -7.515 4.795 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.900 -8.344 6.111 1.00 0.00 H new ATOM 0 HG2 MET A 155 64.467 -9.494 4.693 1.00 0.00 H new ATOM 0 HG3 MET A 155 64.296 -8.139 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 155 65.764 -9.986 0.768 1.00 0.00 H new ATOM 0 HE2 MET A 155 64.327 -10.170 1.801 1.00 0.00 H new ATOM 0 HE3 MET A 155 64.871 -8.547 1.313 1.00 0.00 H new ATOM 932 N ASP A 156 63.358 -7.039 7.268 1.00 0.00 N ATOM 933 CA ASP A 156 62.035 -7.408 7.843 1.00 0.00 C ATOM 934 C ASP A 156 60.959 -6.466 7.294 1.00 0.00 C ATOM 935 O ASP A 156 59.841 -6.866 7.038 1.00 0.00 O ATOM 936 CB ASP A 156 62.201 -7.261 9.365 1.00 0.00 C ATOM 937 CG ASP A 156 61.848 -5.837 9.810 1.00 0.00 C ATOM 938 OD1 ASP A 156 60.702 -5.456 9.646 1.00 0.00 O ATOM 939 OD2 ASP A 156 62.727 -5.157 10.312 1.00 0.00 O ATOM 0 H ASP A 156 64.098 -6.868 7.949 1.00 0.00 H new ATOM 0 HA ASP A 156 61.724 -8.420 7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.559 -7.978 9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.228 -7.493 9.649 1.00 0.00 H new ATOM 944 N GLN A 157 61.296 -5.217 7.099 1.00 0.00 N ATOM 945 CA GLN A 157 60.296 -4.253 6.555 1.00 0.00 C ATOM 946 C GLN A 157 60.904 -3.465 5.393 1.00 0.00 C ATOM 947 O GLN A 157 61.674 -2.545 5.591 1.00 0.00 O ATOM 948 CB GLN A 157 59.958 -3.319 7.718 1.00 0.00 C ATOM 949 CG GLN A 157 58.444 -3.318 7.945 1.00 0.00 C ATOM 950 CD GLN A 157 58.146 -3.507 9.434 1.00 0.00 C ATOM 951 OE1 GLN A 157 58.131 -4.711 9.936 1.00 0.00 O flip ATOM 952 NE2 GLN A 157 57.923 -2.549 10.147 1.00 0.00 N flip ATOM 0 H GLN A 157 62.218 -4.825 7.293 1.00 0.00 H new ATOM 0 HA GLN A 157 59.408 -4.756 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 157 60.472 -3.645 8.622 1.00 0.00 H new ATOM 0 HB3 GLN A 157 60.305 -2.309 7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 157 58.015 -2.379 7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 157 57.979 -4.117 7.367 1.00 0.00 H new ATOM 0 HE21 GLN A 157 57.935 -1.608 9.755 1.00 0.00 H new ATOM 0 HE22 GLN A 157 57.724 -2.686 11.138 1.00 0.00 H new ATOM 961 N LYS A 158 60.572 -3.820 4.181 1.00 0.00 N ATOM 962 CA LYS A 158 61.138 -3.093 3.008 1.00 0.00 C ATOM 963 C LYS A 158 60.314 -1.849 2.688 1.00 0.00 C ATOM 964 O LYS A 158 60.359 -1.330 1.590 1.00 0.00 O ATOM 965 CB LYS A 158 61.089 -4.093 1.854 1.00 0.00 C ATOM 966 CG LYS A 158 61.783 -5.390 2.274 1.00 0.00 C ATOM 967 CD LYS A 158 61.414 -6.508 1.298 1.00 0.00 C ATOM 968 CE LYS A 158 59.968 -6.945 1.546 1.00 0.00 C ATOM 969 NZ LYS A 158 59.553 -7.633 0.291 1.00 0.00 N ATOM 0 H LYS A 158 59.933 -4.582 3.952 1.00 0.00 H new ATOM 0 HA LYS A 158 62.153 -2.744 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 158 60.054 -4.295 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 158 61.578 -3.674 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 158 62.864 -5.248 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 158 61.484 -5.663 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 158 61.529 -6.162 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 158 62.088 -7.355 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 158 59.899 -7.614 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 158 59.327 -6.089 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 58.571 -7.962 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 59.622 -6.970 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 60.176 -8.448 0.119 1.00 0.00 H new ATOM 983 N GLU A 159 59.606 -1.330 3.648 1.00 0.00 N ATOM 984 CA GLU A 159 58.838 -0.084 3.403 1.00 0.00 C ATOM 985 C GLU A 159 59.785 1.062 3.704 1.00 0.00 C ATOM 986 O GLU A 159 59.558 1.887 4.568 1.00 0.00 O ATOM 987 CB GLU A 159 57.697 -0.106 4.400 1.00 0.00 C ATOM 988 CG GLU A 159 56.516 -0.887 3.819 1.00 0.00 C ATOM 989 CD GLU A 159 55.214 -0.138 4.110 1.00 0.00 C ATOM 990 OE1 GLU A 159 54.800 -0.133 5.256 1.00 0.00 O ATOM 991 OE2 GLU A 159 54.654 0.418 3.180 1.00 0.00 O ATOM 0 H GLU A 159 59.526 -1.714 4.589 1.00 0.00 H new ATOM 0 HA GLU A 159 58.452 0.014 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 159 58.025 -0.566 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 159 57.390 0.912 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 159 56.643 -1.012 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.478 -1.886 4.254 1.00 0.00 H new ATOM 998 N HIS A 160 60.877 1.058 3.015 1.00 0.00 N ATOM 999 CA HIS A 160 61.934 2.073 3.242 1.00 0.00 C ATOM 1000 C HIS A 160 61.702 3.328 2.401 1.00 0.00 C ATOM 1001 O HIS A 160 62.485 3.656 1.531 1.00 0.00 O ATOM 1002 CB HIS A 160 63.216 1.379 2.794 1.00 0.00 C ATOM 1003 CG HIS A 160 63.647 0.403 3.847 1.00 0.00 C ATOM 1004 ND1 HIS A 160 63.039 -0.716 4.367 1.00 0.00 N flip ATOM 1005 CD2 HIS A 160 64.869 0.523 4.513 1.00 0.00 C flip ATOM 1006 CE1 HIS A 160 63.873 -1.256 5.324 1.00 0.00 C flip ATOM 1007 NE2 HIS A 160 64.956 -0.496 5.390 1.00 0.00 N flip ATOM 0 H HIS A 160 61.091 0.379 2.285 1.00 0.00 H new ATOM 0 HA HIS A 160 61.959 2.405 4.280 1.00 0.00 H new ATOM 0 HB2 HIS A 160 63.052 0.862 1.849 1.00 0.00 H new ATOM 0 HB3 HIS A 160 64.001 2.116 2.622 1.00 0.00 H new ATOM 0 HD1 HIS A 160 62.128 -1.083 4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 160 65.610 1.293 4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 160 63.678 -2.140 5.914 1.00 0.00 H new ATOM 1015 N LYS A 161 60.647 4.046 2.661 1.00 0.00 N ATOM 1016 CA LYS A 161 60.391 5.288 1.879 1.00 0.00 C ATOM 1017 C LYS A 161 61.222 6.439 2.453 1.00 0.00 C ATOM 1018 O LYS A 161 60.702 7.338 3.085 1.00 0.00 O ATOM 1019 CB LYS A 161 58.898 5.563 2.045 1.00 0.00 C ATOM 1020 CG LYS A 161 58.472 6.662 1.070 1.00 0.00 C ATOM 1021 CD LYS A 161 56.967 6.568 0.817 1.00 0.00 C ATOM 1022 CE LYS A 161 56.209 6.941 2.093 1.00 0.00 C ATOM 1023 NZ LYS A 161 55.497 8.205 1.760 1.00 0.00 N ATOM 0 H LYS A 161 59.954 3.829 3.377 1.00 0.00 H new ATOM 0 HA LYS A 161 60.665 5.186 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 161 58.327 4.654 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 161 58.685 5.868 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.722 7.641 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 161 59.016 6.560 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.682 7.236 0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 161 56.702 5.557 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 161 55.508 6.157 2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 161 56.891 7.081 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 54.953 8.525 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 56.190 8.935 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 54.850 8.039 0.963 1.00 0.00 H new ATOM 1037 N LEU A 162 62.510 6.418 2.242 1.00 0.00 N ATOM 1038 CA LEU A 162 63.372 7.511 2.777 1.00 0.00 C ATOM 1039 C LEU A 162 63.568 8.590 1.711 1.00 0.00 C ATOM 1040 O LEU A 162 63.438 8.336 0.530 1.00 0.00 O ATOM 1041 CB LEU A 162 64.705 6.841 3.128 1.00 0.00 C ATOM 1042 CG LEU A 162 65.301 6.187 1.880 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.809 6.437 1.841 1.00 0.00 C ATOM 1044 CD2 LEU A 162 65.039 4.681 1.925 1.00 0.00 C ATOM 0 H LEU A 162 63.003 5.692 1.722 1.00 0.00 H new ATOM 0 HA LEU A 162 62.931 7.999 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.399 7.579 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 162 64.552 6.092 3.905 1.00 0.00 H new ATOM 0 HG LEU A 162 64.839 6.615 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 162 67.232 5.971 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.999 7.510 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.272 6.009 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 162 65.462 4.211 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 162 65.503 4.257 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 162 63.965 4.499 1.954 1.00 0.00 H new ATOM 1056 N ASN A 163 63.865 9.795 2.114 1.00 0.00 N ATOM 1057 CA ASN A 163 64.050 10.884 1.113 1.00 0.00 C ATOM 1058 C ASN A 163 62.788 11.010 0.258 1.00 0.00 C ATOM 1059 O ASN A 163 62.816 11.529 -0.840 1.00 0.00 O ATOM 1060 CB ASN A 163 65.236 10.440 0.255 1.00 0.00 C ATOM 1061 CG ASN A 163 66.540 10.877 0.925 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.403 11.445 0.287 1.00 0.00 O ATOM 1063 ND2 ASN A 163 66.718 10.636 2.194 1.00 0.00 N ATOM 0 H ASN A 163 63.987 10.072 3.088 1.00 0.00 H new ATOM 0 HA ASN A 163 64.230 11.854 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.224 9.357 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.162 10.877 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 163 67.583 10.925 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 163 65.993 10.159 2.729 1.00 0.00 H new ATOM 1070 N GLY A 164 61.680 10.533 0.758 1.00 0.00 N ATOM 1071 CA GLY A 164 60.413 10.616 -0.021 1.00 0.00 C ATOM 1072 C GLY A 164 60.435 9.565 -1.132 1.00 0.00 C ATOM 1073 O GLY A 164 59.757 9.695 -2.133 1.00 0.00 O ATOM 0 H GLY A 164 61.598 10.089 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.558 10.452 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.300 11.612 -0.449 1.00 0.00 H new ATOM 1077 N LYS A 165 61.210 8.528 -0.967 1.00 0.00 N ATOM 1078 CA LYS A 165 61.276 7.474 -2.020 1.00 0.00 C ATOM 1079 C LYS A 165 61.598 6.110 -1.399 1.00 0.00 C ATOM 1080 O LYS A 165 62.433 5.998 -0.521 1.00 0.00 O ATOM 1081 CB LYS A 165 62.407 7.916 -2.948 1.00 0.00 C ATOM 1082 CG LYS A 165 61.821 8.639 -4.161 1.00 0.00 C ATOM 1083 CD LYS A 165 61.827 7.698 -5.367 1.00 0.00 C ATOM 1084 CE LYS A 165 60.502 6.936 -5.424 1.00 0.00 C ATOM 1085 NZ LYS A 165 60.016 7.118 -6.819 1.00 0.00 N ATOM 0 H LYS A 165 61.799 8.365 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 165 60.328 7.363 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 165 63.092 8.575 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.985 7.050 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 165 60.804 8.966 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 165 62.404 9.534 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 165 61.972 8.267 -6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 165 62.659 6.998 -5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 165 60.642 5.881 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 165 59.787 7.331 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 59.109 6.623 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 59.885 8.132 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 60.714 6.726 -7.484 1.00 0.00 H new ATOM 1099 N VAL A 166 60.953 5.071 -1.856 1.00 0.00 N ATOM 1100 CA VAL A 166 61.236 3.715 -1.303 1.00 0.00 C ATOM 1101 C VAL A 166 62.506 3.161 -1.952 1.00 0.00 C ATOM 1102 O VAL A 166 63.123 3.813 -2.771 1.00 0.00 O ATOM 1103 CB VAL A 166 60.021 2.865 -1.683 1.00 0.00 C ATOM 1104 CG1 VAL A 166 60.006 1.592 -0.836 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.739 3.659 -1.424 1.00 0.00 C ATOM 0 H VAL A 166 60.243 5.102 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 166 61.395 3.724 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 166 60.080 2.602 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.141 0.986 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.918 1.024 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 166 59.948 1.858 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.875 3.053 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.681 3.922 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.747 4.569 -2.025 1.00 0.00 H new ATOM 1115 N ILE A 167 62.910 1.972 -1.598 1.00 0.00 N ATOM 1116 CA ILE A 167 64.152 1.411 -2.212 1.00 0.00 C ATOM 1117 C ILE A 167 64.015 -0.084 -2.486 1.00 0.00 C ATOM 1118 O ILE A 167 63.086 -0.736 -2.050 1.00 0.00 O ATOM 1119 CB ILE A 167 65.272 1.628 -1.187 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.715 1.538 0.238 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.918 2.993 -1.404 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.831 1.117 1.199 1.00 0.00 C ATOM 0 H ILE A 167 62.443 1.370 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 167 64.354 1.901 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 167 66.023 0.850 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.305 2.501 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.898 0.818 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.712 3.140 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.337 3.042 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.167 3.774 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 167 65.434 1.053 2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.221 0.144 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.634 1.854 1.170 1.00 0.00 H new ATOM 1134 N ASP A 168 64.970 -0.629 -3.184 1.00 0.00 N ATOM 1135 CA ASP A 168 64.964 -2.085 -3.482 1.00 0.00 C ATOM 1136 C ASP A 168 66.190 -2.711 -2.817 1.00 0.00 C ATOM 1137 O ASP A 168 67.266 -2.724 -3.383 1.00 0.00 O ATOM 1138 CB ASP A 168 65.060 -2.185 -5.005 1.00 0.00 C ATOM 1139 CG ASP A 168 64.433 -3.499 -5.473 1.00 0.00 C ATOM 1140 OD1 ASP A 168 64.429 -4.440 -4.698 1.00 0.00 O ATOM 1141 OD2 ASP A 168 63.968 -3.542 -6.601 1.00 0.00 O ATOM 0 H ASP A 168 65.766 -0.118 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 168 64.077 -2.600 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.549 -1.341 -5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.103 -2.136 -5.318 1.00 0.00 H new ATOM 1146 N PRO A 169 65.986 -3.174 -1.615 1.00 0.00 N ATOM 1147 CA PRO A 169 67.089 -3.777 -0.830 1.00 0.00 C ATOM 1148 C PRO A 169 67.482 -5.147 -1.386 1.00 0.00 C ATOM 1149 O PRO A 169 66.643 -5.964 -1.712 1.00 0.00 O ATOM 1150 CB PRO A 169 66.498 -3.912 0.572 1.00 0.00 C ATOM 1151 CG PRO A 169 65.020 -3.975 0.362 1.00 0.00 C ATOM 1152 CD PRO A 169 64.717 -3.179 -0.881 1.00 0.00 C ATOM 0 HA PRO A 169 67.998 -3.177 -0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.865 -4.809 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.772 -3.064 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.690 -5.008 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.491 -3.564 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.920 -3.638 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.392 -2.167 -0.638 1.00 0.00 H new ATOM 1160 N LYS A 170 68.757 -5.404 -1.481 1.00 0.00 N ATOM 1161 CA LYS A 170 69.225 -6.722 -1.999 1.00 0.00 C ATOM 1162 C LYS A 170 70.393 -7.218 -1.159 1.00 0.00 C ATOM 1163 O LYS A 170 70.814 -6.571 -0.219 1.00 0.00 O ATOM 1164 CB LYS A 170 69.712 -6.463 -3.415 1.00 0.00 C ATOM 1165 CG LYS A 170 68.779 -7.149 -4.415 1.00 0.00 C ATOM 1166 CD LYS A 170 68.726 -6.332 -5.707 1.00 0.00 C ATOM 1167 CE LYS A 170 67.543 -6.799 -6.560 1.00 0.00 C ATOM 1168 NZ LYS A 170 67.794 -8.247 -6.803 1.00 0.00 N ATOM 0 H LYS A 170 69.499 -4.755 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 170 68.431 -7.468 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.743 -5.391 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 170 70.728 -6.838 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 170 69.133 -8.158 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.779 -7.243 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.624 -5.272 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 170 69.657 -6.449 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 170 66.597 -6.644 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 170 67.488 -6.245 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 67.299 -8.545 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 68.815 -8.408 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 67.443 -8.800 -5.996 1.00 0.00 H new ATOM 1182 N ARG A 171 70.932 -8.352 -1.497 1.00 0.00 N ATOM 1183 CA ARG A 171 72.084 -8.871 -0.722 1.00 0.00 C ATOM 1184 C ARG A 171 73.401 -8.402 -1.342 1.00 0.00 C ATOM 1185 O ARG A 171 74.296 -9.185 -1.586 1.00 0.00 O ATOM 1186 CB ARG A 171 71.956 -10.394 -0.777 1.00 0.00 C ATOM 1187 CG ARG A 171 71.095 -10.874 0.395 1.00 0.00 C ATOM 1188 CD ARG A 171 71.843 -11.968 1.162 1.00 0.00 C ATOM 1189 NE ARG A 171 71.614 -11.655 2.600 1.00 0.00 N ATOM 1190 CZ ARG A 171 71.816 -12.572 3.508 1.00 0.00 C ATOM 1191 NH1 ARG A 171 72.993 -13.123 3.625 1.00 0.00 N ATOM 1192 NH2 ARG A 171 70.842 -12.939 4.294 1.00 0.00 N ATOM 0 H ARG A 171 70.625 -8.939 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 171 72.084 -8.509 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 171 71.506 -10.698 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 171 72.943 -10.855 -0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 171 70.868 -10.040 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 171 70.143 -11.258 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 171 71.464 -12.958 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 171 72.906 -11.963 0.921 1.00 0.00 H new ATOM 0 HE ARG A 171 71.299 -10.725 2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 171 73.753 -12.837 3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 171 73.153 -13.839 4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 171 69.921 -12.510 4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 171 71.001 -13.655 5.003 1.00 0.00 H new ATOM 1206 N ALA A 172 73.526 -7.127 -1.587 1.00 0.00 N ATOM 1207 CA ALA A 172 74.788 -6.597 -2.182 1.00 0.00 C ATOM 1208 C ALA A 172 75.308 -7.544 -3.268 1.00 0.00 C ATOM 1209 O ALA A 172 76.401 -8.064 -3.177 1.00 0.00 O ATOM 1210 CB ALA A 172 75.769 -6.537 -1.014 1.00 0.00 C ATOM 0 H ALA A 172 72.808 -6.427 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 172 74.646 -5.625 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.728 -6.156 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 172 75.376 -5.875 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 172 75.904 -7.537 -0.601 1.00 0.00 H new TER 1216 ALA A 172