USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 101 SER OG : rot 180:sc= -0.195 USER MOD Set 1.2: A 135 GLN : amide:sc= -3.6! C(o=-3.8!,f=-6.7!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= -0.0952 (180deg=-0.675) USER MOD Single : A 79 THR OG1 : rot 176:sc= -0.495 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.14 F(o=-0.81,f=-0.14) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= -1.22 F(o=-3.6!,f=-1.2) USER MOD Single : A 109 MET CE :methyl -175:sc= -17.2! (180deg=-17.6!) USER MOD Single : A 110 THR OG1 : rot 105:sc= 0.78 USER MOD Single : A 111 ASN : amide:sc= -9.11! C(o=-9.1!,f=-14!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.12 F(o=-4.7!,f=-1.1) USER MOD Single : A 138 TYR OH : rot -20:sc= -6.09! USER MOD Single : A 143 GLN :FLIP amide:sc= -0.125 F(o=-1,f=-0.13) USER MOD Single : A 144 MET CE :methyl -143:sc= -2.22 (180deg=-3.38!) USER MOD Single : A 145 MET CE :methyl -138:sc= -9.33! (180deg=-13.9!) USER MOD Single : A 146 THR OG1 : rot -55:sc= 1.12 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -6.600 2.055 -20.778 1.00 0.00 N ATOM 2 CA MET A 76 -6.474 0.691 -20.190 1.00 0.00 C ATOM 3 C MET A 76 -5.312 0.669 -19.197 1.00 0.00 C ATOM 4 O MET A 76 -4.666 -0.342 -19.004 1.00 0.00 O ATOM 5 CB MET A 76 -6.212 -0.323 -21.305 1.00 0.00 C ATOM 6 CG MET A 76 -4.959 0.085 -22.082 1.00 0.00 C ATOM 7 SD MET A 76 -3.614 -1.069 -21.708 1.00 0.00 S ATOM 8 CE MET A 76 -3.211 -1.507 -23.416 1.00 0.00 C ATOM 0 HA MET A 76 -7.398 0.432 -19.673 1.00 0.00 H new ATOM 0 HB2 MET A 76 -6.082 -1.319 -20.882 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.069 -0.371 -21.976 1.00 0.00 H new ATOM 0 HG2 MET A 76 -5.166 0.085 -23.152 1.00 0.00 H new ATOM 0 HG3 MET A 76 -4.666 1.100 -21.814 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.390 -2.224 -23.424 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.084 -1.951 -23.894 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.916 -0.611 -23.961 1.00 0.00 H new ATOM 20 N LYS A 77 -5.038 1.777 -18.564 1.00 0.00 N ATOM 21 CA LYS A 77 -3.917 1.820 -17.584 1.00 0.00 C ATOM 22 C LYS A 77 -4.298 2.725 -16.410 1.00 0.00 C ATOM 23 O LYS A 77 -3.505 3.516 -15.940 1.00 0.00 O ATOM 24 CB LYS A 77 -2.657 2.368 -18.262 1.00 0.00 C ATOM 25 CG LYS A 77 -3.049 3.325 -19.392 1.00 0.00 C ATOM 26 CD LYS A 77 -3.673 4.591 -18.799 1.00 0.00 C ATOM 27 CE LYS A 77 -2.601 5.384 -18.047 1.00 0.00 C ATOM 28 NZ LYS A 77 -1.560 5.847 -19.007 1.00 0.00 N ATOM 0 H LYS A 77 -5.543 2.655 -18.684 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.721 0.812 -17.219 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.037 2.888 -17.532 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.061 1.547 -18.659 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.171 3.583 -19.985 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.756 2.839 -20.065 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.104 5.203 -19.592 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.486 4.326 -18.123 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.052 6.239 -17.543 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.148 4.762 -17.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.068 6.674 -18.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.875 5.082 -19.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.010 6.108 -19.908 1.00 0.00 H new ATOM 42 N ASP A 78 -5.508 2.615 -15.934 1.00 0.00 N ATOM 43 CA ASP A 78 -5.940 3.468 -14.791 1.00 0.00 C ATOM 44 C ASP A 78 -5.842 2.668 -13.492 1.00 0.00 C ATOM 45 O ASP A 78 -6.453 3.004 -12.496 1.00 0.00 O ATOM 46 CB ASP A 78 -7.387 3.916 -15.008 1.00 0.00 C ATOM 47 CG ASP A 78 -8.295 2.687 -15.093 1.00 0.00 C ATOM 48 OD1 ASP A 78 -8.326 2.070 -16.146 1.00 0.00 O ATOM 49 OD2 ASP A 78 -8.943 2.384 -14.105 1.00 0.00 O ATOM 0 H ASP A 78 -6.216 1.971 -16.287 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.295 4.344 -14.727 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.706 4.561 -14.189 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.464 4.502 -15.924 1.00 0.00 H new ATOM 54 N THR A 79 -5.079 1.609 -13.492 1.00 0.00 N ATOM 55 CA THR A 79 -4.943 0.789 -12.255 1.00 0.00 C ATOM 56 C THR A 79 -6.331 0.372 -11.765 1.00 0.00 C ATOM 57 O THR A 79 -6.913 1.005 -10.908 1.00 0.00 O ATOM 58 CB THR A 79 -4.245 1.612 -11.170 1.00 0.00 C ATOM 59 OG1 THR A 79 -3.827 2.856 -11.717 1.00 0.00 O ATOM 60 CG2 THR A 79 -3.029 0.847 -10.648 1.00 0.00 C ATOM 0 H THR A 79 -4.544 1.277 -14.295 1.00 0.00 H new ATOM 0 HA THR A 79 -4.351 -0.100 -12.472 1.00 0.00 H new ATOM 0 HB THR A 79 -4.938 1.791 -10.347 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.435 3.409 -11.009 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.533 1.435 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.351 -0.106 -10.228 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.334 0.666 -11.468 1.00 0.00 H new ATOM 68 N ASP A 80 -6.866 -0.690 -12.304 1.00 0.00 N ATOM 69 CA ASP A 80 -8.217 -1.147 -11.869 1.00 0.00 C ATOM 70 C ASP A 80 -8.070 -2.332 -10.913 1.00 0.00 C ATOM 71 O ASP A 80 -9.022 -2.759 -10.287 1.00 0.00 O ATOM 72 CB ASP A 80 -9.029 -1.574 -13.092 1.00 0.00 C ATOM 73 CG ASP A 80 -10.436 -0.980 -13.005 1.00 0.00 C ATOM 74 OD1 ASP A 80 -10.549 0.234 -13.055 1.00 0.00 O ATOM 75 OD2 ASP A 80 -11.376 -1.749 -12.887 1.00 0.00 O ATOM 0 H ASP A 80 -6.426 -1.261 -13.026 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.731 -0.332 -11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.537 -1.237 -14.004 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.085 -2.661 -13.143 1.00 0.00 H new ATOM 80 N SER A 81 -6.887 -2.869 -10.794 1.00 0.00 N ATOM 81 CA SER A 81 -6.683 -4.028 -9.878 1.00 0.00 C ATOM 82 C SER A 81 -6.494 -3.522 -8.446 1.00 0.00 C ATOM 83 O SER A 81 -6.270 -4.291 -7.533 1.00 0.00 O ATOM 84 CB SER A 81 -5.440 -4.807 -10.311 1.00 0.00 C ATOM 85 OG SER A 81 -5.423 -4.911 -11.729 1.00 0.00 O ATOM 0 H SER A 81 -6.053 -2.556 -11.291 1.00 0.00 H new ATOM 0 HA SER A 81 -7.555 -4.681 -9.920 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.540 -4.302 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.444 -5.800 -9.862 1.00 0.00 H new ATOM 0 HG SER A 81 -4.627 -5.408 -12.011 1.00 0.00 H new ATOM 91 N GLU A 82 -6.584 -2.236 -8.240 1.00 0.00 N ATOM 92 CA GLU A 82 -6.411 -1.693 -6.866 1.00 0.00 C ATOM 93 C GLU A 82 -7.761 -1.685 -6.149 1.00 0.00 C ATOM 94 O GLU A 82 -7.947 -1.002 -5.163 1.00 0.00 O ATOM 95 CB GLU A 82 -5.860 -0.268 -6.938 1.00 0.00 C ATOM 96 CG GLU A 82 -4.895 -0.153 -8.120 1.00 0.00 C ATOM 97 CD GLU A 82 -3.703 0.717 -7.721 1.00 0.00 C ATOM 98 OE1 GLU A 82 -2.768 0.181 -7.148 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.744 1.905 -7.997 1.00 0.00 O ATOM 0 H GLU A 82 -6.769 -1.541 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.710 -2.320 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.677 0.444 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.346 -0.018 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.552 -1.143 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.405 0.282 -8.979 1.00 0.00 H new ATOM 106 N GLU A 83 -8.705 -2.446 -6.632 1.00 0.00 N ATOM 107 CA GLU A 83 -10.038 -2.486 -5.970 1.00 0.00 C ATOM 108 C GLU A 83 -9.886 -3.141 -4.596 1.00 0.00 C ATOM 109 O GLU A 83 -10.651 -2.893 -3.687 1.00 0.00 O ATOM 110 CB GLU A 83 -11.012 -3.302 -6.822 1.00 0.00 C ATOM 111 CG GLU A 83 -11.314 -2.545 -8.118 1.00 0.00 C ATOM 112 CD GLU A 83 -12.822 -2.314 -8.234 1.00 0.00 C ATOM 113 OE1 GLU A 83 -13.387 -1.744 -7.315 1.00 0.00 O ATOM 114 OE2 GLU A 83 -13.386 -2.709 -9.241 1.00 0.00 O ATOM 0 H GLU A 83 -8.610 -3.041 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.426 -1.473 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.583 -4.278 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.934 -3.480 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.787 -1.591 -8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.955 -3.114 -8.976 1.00 0.00 H new ATOM 121 N GLU A 84 -8.891 -3.972 -4.442 1.00 0.00 N ATOM 122 CA GLU A 84 -8.670 -4.643 -3.133 1.00 0.00 C ATOM 123 C GLU A 84 -7.583 -3.890 -2.363 1.00 0.00 C ATOM 124 O GLU A 84 -7.702 -3.640 -1.180 1.00 0.00 O ATOM 125 CB GLU A 84 -8.220 -6.086 -3.373 1.00 0.00 C ATOM 126 CG GLU A 84 -9.290 -7.048 -2.852 1.00 0.00 C ATOM 127 CD GLU A 84 -8.627 -8.351 -2.398 1.00 0.00 C ATOM 128 OE1 GLU A 84 -7.733 -8.810 -3.089 1.00 0.00 O ATOM 129 OE2 GLU A 84 -9.027 -8.867 -1.366 1.00 0.00 O ATOM 0 H GLU A 84 -8.220 -4.215 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.595 -4.643 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.052 -6.254 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.272 -6.271 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.830 -6.593 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.022 -7.253 -3.633 1.00 0.00 H new ATOM 136 N ILE A 85 -6.527 -3.520 -3.034 1.00 0.00 N ATOM 137 CA ILE A 85 -5.430 -2.774 -2.357 1.00 0.00 C ATOM 138 C ILE A 85 -6.002 -1.532 -1.678 1.00 0.00 C ATOM 139 O ILE A 85 -5.623 -1.186 -0.577 1.00 0.00 O ATOM 140 CB ILE A 85 -4.397 -2.343 -3.398 1.00 0.00 C ATOM 141 CG1 ILE A 85 -3.696 -3.578 -3.967 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.367 -1.424 -2.740 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.813 -3.577 -5.492 1.00 0.00 C ATOM 0 H ILE A 85 -6.377 -3.703 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.960 -3.416 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.896 -1.809 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.646 -3.581 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.144 -4.484 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.629 -1.115 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.869 -0.543 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.868 -1.957 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.313 -4.457 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.865 -3.595 -5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.344 -2.678 -5.892 1.00 0.00 H new ATOM 155 N ARG A 86 -6.906 -0.850 -2.326 1.00 0.00 N ATOM 156 CA ARG A 86 -7.484 0.371 -1.707 1.00 0.00 C ATOM 157 C ARG A 86 -8.321 -0.026 -0.489 1.00 0.00 C ATOM 158 O ARG A 86 -8.456 0.728 0.452 1.00 0.00 O ATOM 159 CB ARG A 86 -8.335 1.132 -2.740 1.00 0.00 C ATOM 160 CG ARG A 86 -9.815 0.757 -2.615 1.00 0.00 C ATOM 161 CD ARG A 86 -10.480 1.649 -1.562 1.00 0.00 C ATOM 162 NE ARG A 86 -11.706 0.979 -1.047 1.00 0.00 N ATOM 163 CZ ARG A 86 -12.856 1.187 -1.627 1.00 0.00 C ATOM 164 NH1 ARG A 86 -13.430 2.355 -1.538 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.432 0.227 -2.297 1.00 0.00 N ATOM 0 H ARG A 86 -7.266 -1.085 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.683 1.033 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.215 2.206 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.982 0.904 -3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.314 0.877 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.913 -0.291 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.787 1.842 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.736 2.615 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.647 0.357 -0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.980 3.106 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.329 2.517 -1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.983 -0.686 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.331 0.390 -2.750 1.00 0.00 H new ATOM 179 N GLU A 87 -8.871 -1.208 -0.491 1.00 0.00 N ATOM 180 CA GLU A 87 -9.677 -1.646 0.680 1.00 0.00 C ATOM 181 C GLU A 87 -8.738 -1.770 1.876 1.00 0.00 C ATOM 182 O GLU A 87 -9.017 -1.288 2.956 1.00 0.00 O ATOM 183 CB GLU A 87 -10.324 -3.000 0.380 1.00 0.00 C ATOM 184 CG GLU A 87 -10.943 -3.561 1.659 1.00 0.00 C ATOM 185 CD GLU A 87 -11.907 -4.696 1.306 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.437 -5.723 0.844 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.098 -4.518 1.502 1.00 0.00 O ATOM 0 H GLU A 87 -8.797 -1.886 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.466 -0.925 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.089 -2.888 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.579 -3.693 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.161 -3.928 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.473 -2.773 2.195 1.00 0.00 H new ATOM 194 N ALA A 88 -7.609 -2.389 1.674 1.00 0.00 N ATOM 195 CA ALA A 88 -6.621 -2.524 2.776 1.00 0.00 C ATOM 196 C ALA A 88 -5.738 -1.278 2.767 1.00 0.00 C ATOM 197 O ALA A 88 -4.553 -1.343 2.523 1.00 0.00 O ATOM 198 CB ALA A 88 -5.760 -3.763 2.536 1.00 0.00 C ATOM 0 H ALA A 88 -7.328 -2.809 0.788 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.127 -2.626 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.035 -3.864 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.396 -4.648 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.234 -3.662 1.586 1.00 0.00 H new ATOM 204 N PHE A 89 -6.321 -0.141 3.015 1.00 0.00 N ATOM 205 CA PHE A 89 -5.542 1.129 3.002 1.00 0.00 C ATOM 206 C PHE A 89 -6.515 2.308 3.037 1.00 0.00 C ATOM 207 O PHE A 89 -6.153 3.411 3.393 1.00 0.00 O ATOM 208 CB PHE A 89 -4.700 1.197 1.723 1.00 0.00 C ATOM 209 CG PHE A 89 -3.250 1.462 2.063 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.689 0.910 3.219 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.463 2.259 1.219 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.350 1.151 3.530 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.120 2.499 1.534 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.564 1.944 2.688 1.00 0.00 C ATOM 0 H PHE A 89 -7.313 -0.035 3.228 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.883 1.169 3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.786 0.260 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.078 1.985 1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.293 0.297 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.893 2.688 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.920 0.724 4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.514 3.113 0.884 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.472 2.127 2.930 1.00 0.00 H new ATOM 224 N ARG A 90 -7.757 2.084 2.689 1.00 0.00 N ATOM 225 CA ARG A 90 -8.740 3.182 2.724 1.00 0.00 C ATOM 226 C ARG A 90 -8.935 3.593 4.173 1.00 0.00 C ATOM 227 O ARG A 90 -9.497 4.627 4.472 1.00 0.00 O ATOM 228 CB ARG A 90 -10.066 2.703 2.133 1.00 0.00 C ATOM 229 CG ARG A 90 -10.717 1.686 3.074 1.00 0.00 C ATOM 230 CD ARG A 90 -12.018 1.158 2.454 1.00 0.00 C ATOM 231 NE ARG A 90 -12.524 2.120 1.433 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.699 2.670 1.577 1.00 0.00 C ATOM 233 NH1 ARG A 90 -14.710 1.950 1.981 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.862 3.938 1.319 1.00 0.00 N ATOM 0 H ARG A 90 -8.123 1.182 2.383 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.386 4.030 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.734 3.551 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.897 2.251 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.031 0.859 3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.926 2.151 4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.843 0.186 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.768 1.012 3.231 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.951 2.349 0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.581 0.959 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.629 2.379 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.071 4.500 1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.780 4.367 1.432 1.00 0.00 H new ATOM 248 N VAL A 91 -8.460 2.784 5.076 1.00 0.00 N ATOM 249 CA VAL A 91 -8.599 3.116 6.507 1.00 0.00 C ATOM 250 C VAL A 91 -7.980 4.489 6.753 1.00 0.00 C ATOM 251 O VAL A 91 -8.412 5.236 7.609 1.00 0.00 O ATOM 252 CB VAL A 91 -7.873 2.061 7.336 1.00 0.00 C ATOM 253 CG1 VAL A 91 -7.989 2.406 8.820 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.507 0.695 7.070 1.00 0.00 C ATOM 0 H VAL A 91 -7.981 1.906 4.878 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.651 3.134 6.793 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.819 2.035 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.470 1.651 9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.540 3.382 9.003 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.040 2.431 9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.994 -0.065 7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.560 0.722 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.420 0.453 6.011 1.00 0.00 H new ATOM 264 N PHE A 92 -6.969 4.826 6.000 1.00 0.00 N ATOM 265 CA PHE A 92 -6.316 6.147 6.173 1.00 0.00 C ATOM 266 C PHE A 92 -6.703 7.042 4.992 1.00 0.00 C ATOM 267 O PHE A 92 -7.228 8.124 5.165 1.00 0.00 O ATOM 268 CB PHE A 92 -4.804 5.942 6.215 1.00 0.00 C ATOM 269 CG PHE A 92 -4.472 4.988 7.340 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.259 5.480 8.632 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.379 3.612 7.091 1.00 0.00 C ATOM 272 CE1 PHE A 92 -3.951 4.598 9.676 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.071 2.731 8.136 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.857 3.223 9.427 1.00 0.00 C ATOM 0 H PHE A 92 -6.568 4.238 5.270 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.637 6.622 7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.451 5.542 5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.298 6.895 6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.332 6.540 8.825 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.545 3.231 6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.786 4.979 10.673 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.999 1.671 7.944 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.619 2.543 10.232 1.00 0.00 H new ATOM 284 N ASP A 93 -6.470 6.583 3.793 1.00 0.00 N ATOM 285 CA ASP A 93 -6.845 7.380 2.596 1.00 0.00 C ATOM 286 C ASP A 93 -8.295 7.039 2.231 1.00 0.00 C ATOM 287 O ASP A 93 -8.607 6.654 1.122 1.00 0.00 O ATOM 288 CB ASP A 93 -5.895 7.027 1.438 1.00 0.00 C ATOM 289 CG ASP A 93 -6.497 7.467 0.101 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.102 8.526 0.065 1.00 0.00 O ATOM 291 OD2 ASP A 93 -6.342 6.738 -0.865 1.00 0.00 O ATOM 0 H ASP A 93 -6.033 5.684 3.592 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.763 8.448 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.932 7.514 1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.710 5.953 1.425 1.00 0.00 H new ATOM 296 N LYS A 94 -9.192 7.170 3.171 1.00 0.00 N ATOM 297 CA LYS A 94 -10.618 6.850 2.881 1.00 0.00 C ATOM 298 C LYS A 94 -11.001 7.474 1.540 1.00 0.00 C ATOM 299 O LYS A 94 -11.609 6.841 0.700 1.00 0.00 O ATOM 300 CB LYS A 94 -11.509 7.427 3.983 1.00 0.00 C ATOM 301 CG LYS A 94 -10.996 6.970 5.351 1.00 0.00 C ATOM 302 CD LYS A 94 -10.886 8.178 6.283 1.00 0.00 C ATOM 303 CE LYS A 94 -10.451 7.712 7.674 1.00 0.00 C ATOM 304 NZ LYS A 94 -10.207 8.900 8.541 1.00 0.00 N ATOM 0 H LYS A 94 -9.000 7.483 4.122 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.752 5.769 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.512 8.516 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.539 7.098 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.673 6.229 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.024 6.489 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.165 8.893 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.845 8.692 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.221 7.079 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.546 7.109 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.911 8.585 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.458 9.488 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.081 9.458 8.620 1.00 0.00 H new ATOM 318 N ASP A 95 -10.642 8.710 1.337 1.00 0.00 N ATOM 319 CA ASP A 95 -10.973 9.391 0.054 1.00 0.00 C ATOM 320 C ASP A 95 -10.524 10.851 0.131 1.00 0.00 C ATOM 321 O ASP A 95 -11.235 11.748 -0.276 1.00 0.00 O ATOM 322 CB ASP A 95 -12.486 9.340 -0.178 1.00 0.00 C ATOM 323 CG ASP A 95 -13.193 10.190 0.879 1.00 0.00 C ATOM 324 OD1 ASP A 95 -12.932 9.979 2.052 1.00 0.00 O ATOM 325 OD2 ASP A 95 -13.984 11.037 0.498 1.00 0.00 O ATOM 0 H ASP A 95 -10.130 9.282 2.009 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.462 8.889 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.724 9.709 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.838 8.310 -0.127 1.00 0.00 H new ATOM 330 N GLY A 96 -9.354 11.101 0.658 1.00 0.00 N ATOM 331 CA GLY A 96 -8.883 12.510 0.761 1.00 0.00 C ATOM 332 C GLY A 96 -7.353 12.567 0.794 1.00 0.00 C ATOM 333 O GLY A 96 -6.753 13.482 0.267 1.00 0.00 O ATOM 0 H GLY A 96 -8.711 10.396 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.255 13.086 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.289 12.970 1.662 1.00 0.00 H new ATOM 337 N ASN A 97 -6.711 11.611 1.410 1.00 0.00 N ATOM 338 CA ASN A 97 -5.222 11.650 1.466 1.00 0.00 C ATOM 339 C ASN A 97 -4.643 11.118 0.155 1.00 0.00 C ATOM 340 O ASN A 97 -4.097 11.855 -0.642 1.00 0.00 O ATOM 341 CB ASN A 97 -4.732 10.784 2.627 1.00 0.00 C ATOM 342 CG ASN A 97 -3.879 11.632 3.573 1.00 0.00 C ATOM 343 OD1 ASN A 97 -4.228 12.865 3.816 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 -2.885 11.167 4.095 1.00 0.00 N flip ATOM 0 H ASN A 97 -7.147 10.813 1.872 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.894 12.679 1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.582 10.364 3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.148 9.945 2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.613 10.203 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.323 11.741 4.724 1.00 0.00 H new ATOM 351 N GLY A 98 -4.749 9.840 -0.065 1.00 0.00 N ATOM 352 CA GLY A 98 -4.196 9.243 -1.313 1.00 0.00 C ATOM 353 C GLY A 98 -2.943 8.448 -0.956 1.00 0.00 C ATOM 354 O GLY A 98 -2.723 7.356 -1.438 1.00 0.00 O ATOM 0 H GLY A 98 -5.197 9.178 0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.935 8.594 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.956 10.025 -2.033 1.00 0.00 H new ATOM 358 N TYR A 99 -2.128 8.992 -0.097 1.00 0.00 N ATOM 359 CA TYR A 99 -0.892 8.283 0.323 1.00 0.00 C ATOM 360 C TYR A 99 -0.879 8.182 1.845 1.00 0.00 C ATOM 361 O TYR A 99 -1.710 8.757 2.520 1.00 0.00 O ATOM 362 CB TYR A 99 0.339 9.059 -0.167 1.00 0.00 C ATOM 363 CG TYR A 99 0.613 10.230 0.751 1.00 0.00 C ATOM 364 CD1 TYR A 99 -0.186 11.377 0.682 1.00 0.00 C ATOM 365 CD2 TYR A 99 1.664 10.162 1.673 1.00 0.00 C ATOM 366 CE1 TYR A 99 0.069 12.459 1.536 1.00 0.00 C ATOM 367 CE2 TYR A 99 1.917 11.241 2.526 1.00 0.00 C ATOM 368 CZ TYR A 99 1.120 12.391 2.458 1.00 0.00 C ATOM 369 OH TYR A 99 1.369 13.455 3.300 1.00 0.00 O ATOM 0 H TYR A 99 -2.268 9.905 0.335 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.868 7.283 -0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.206 8.399 -0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.174 9.415 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.998 11.428 -0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.280 9.276 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.546 13.345 1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.728 11.188 3.238 1.00 0.00 H new ATOM 0 HH TYR A 99 2.132 13.244 3.878 1.00 0.00 H new ATOM 379 N ILE A 100 0.054 7.463 2.398 1.00 0.00 N ATOM 380 CA ILE A 100 0.100 7.348 3.872 1.00 0.00 C ATOM 381 C ILE A 100 1.532 7.070 4.330 1.00 0.00 C ATOM 382 O ILE A 100 2.398 6.738 3.546 1.00 0.00 O ATOM 383 CB ILE A 100 -0.838 6.235 4.341 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.002 5.158 3.262 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.207 6.840 4.656 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.992 4.115 3.770 1.00 0.00 C ATOM 0 H ILE A 100 0.781 6.954 1.894 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.230 8.288 4.313 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.409 5.770 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.362 5.602 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.041 4.693 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.884 6.054 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.102 7.588 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.612 7.309 3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.122 3.339 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.610 3.668 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.952 4.591 3.970 1.00 0.00 H new ATOM 398 N SER A 101 1.785 7.231 5.597 1.00 0.00 N ATOM 399 CA SER A 101 3.156 7.011 6.136 1.00 0.00 C ATOM 400 C SER A 101 3.520 5.528 6.092 1.00 0.00 C ATOM 401 O SER A 101 2.674 4.672 5.927 1.00 0.00 O ATOM 402 CB SER A 101 3.190 7.480 7.587 1.00 0.00 C ATOM 403 OG SER A 101 4.498 7.297 8.111 1.00 0.00 O ATOM 0 H SER A 101 1.092 7.509 6.292 1.00 0.00 H new ATOM 0 HA SER A 101 3.870 7.569 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.905 8.530 7.648 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.467 6.919 8.179 1.00 0.00 H new ATOM 0 HG SER A 101 4.522 7.599 9.043 1.00 0.00 H new ATOM 409 N ALA A 102 4.778 5.220 6.268 1.00 0.00 N ATOM 410 CA ALA A 102 5.201 3.793 6.268 1.00 0.00 C ATOM 411 C ALA A 102 4.556 3.111 7.468 1.00 0.00 C ATOM 412 O ALA A 102 4.380 1.911 7.496 1.00 0.00 O ATOM 413 CB ALA A 102 6.724 3.704 6.377 1.00 0.00 C ATOM 0 H ALA A 102 5.529 5.896 6.411 1.00 0.00 H new ATOM 0 HA ALA A 102 4.891 3.306 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.028 2.657 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.180 4.215 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.051 4.176 7.303 1.00 0.00 H new ATOM 419 N ALA A 103 4.181 3.879 8.455 1.00 0.00 N ATOM 420 CA ALA A 103 3.522 3.284 9.646 1.00 0.00 C ATOM 421 C ALA A 103 2.138 2.804 9.224 1.00 0.00 C ATOM 422 O ALA A 103 1.621 1.828 9.729 1.00 0.00 O ATOM 423 CB ALA A 103 3.388 4.343 10.743 1.00 0.00 C ATOM 0 H ALA A 103 4.304 4.891 8.485 1.00 0.00 H new ATOM 0 HA ALA A 103 4.112 2.453 10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.904 3.904 11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.377 4.706 11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.787 5.174 10.375 1.00 0.00 H new ATOM 429 N GLU A 104 1.538 3.485 8.282 1.00 0.00 N ATOM 430 CA GLU A 104 0.194 3.070 7.803 1.00 0.00 C ATOM 431 C GLU A 104 0.316 1.715 7.109 1.00 0.00 C ATOM 432 O GLU A 104 -0.453 0.814 7.358 1.00 0.00 O ATOM 433 CB GLU A 104 -0.341 4.109 6.817 1.00 0.00 C ATOM 434 CG GLU A 104 -1.323 5.034 7.538 1.00 0.00 C ATOM 435 CD GLU A 104 -0.644 6.373 7.826 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.235 6.401 8.670 1.00 0.00 O ATOM 437 OE2 GLU A 104 -1.016 7.351 7.197 1.00 0.00 O ATOM 0 H GLU A 104 1.925 4.311 7.826 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.494 2.992 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.482 4.689 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.837 3.613 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.211 5.189 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.655 4.575 8.469 1.00 0.00 H new ATOM 444 N LEU A 105 1.290 1.560 6.249 1.00 0.00 N ATOM 445 CA LEU A 105 1.473 0.258 5.549 1.00 0.00 C ATOM 446 C LEU A 105 1.746 -0.834 6.581 1.00 0.00 C ATOM 447 O LEU A 105 1.070 -1.838 6.630 1.00 0.00 O ATOM 448 CB LEU A 105 2.647 0.363 4.584 1.00 0.00 C ATOM 449 CG LEU A 105 2.225 -0.232 3.247 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.576 0.732 2.118 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.960 -1.559 3.039 1.00 0.00 C ATOM 0 H LEU A 105 1.967 2.282 6.002 1.00 0.00 H new ATOM 0 HA LEU A 105 0.571 0.009 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.943 1.405 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.512 -0.169 4.980 1.00 0.00 H new ATOM 0 HG LEU A 105 1.148 -0.402 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.272 0.301 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.055 1.677 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.652 0.907 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.664 -1.993 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.036 -1.383 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.704 -2.247 3.845 1.00 0.00 H new ATOM 463 N ARG A 106 2.722 -0.645 7.418 1.00 0.00 N ATOM 464 CA ARG A 106 3.012 -1.675 8.449 1.00 0.00 C ATOM 465 C ARG A 106 1.720 -2.023 9.196 1.00 0.00 C ATOM 466 O ARG A 106 1.625 -3.047 9.843 1.00 0.00 O ATOM 467 CB ARG A 106 4.033 -1.121 9.447 1.00 0.00 C ATOM 468 CG ARG A 106 4.076 -2.017 10.689 1.00 0.00 C ATOM 469 CD ARG A 106 3.122 -1.470 11.758 1.00 0.00 C ATOM 470 NE ARG A 106 3.343 -2.198 13.039 1.00 0.00 N ATOM 471 CZ ARG A 106 2.334 -2.453 13.827 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.455 -1.522 14.079 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.204 -3.637 14.360 1.00 0.00 N ATOM 0 H ARG A 106 3.330 0.174 7.434 1.00 0.00 H new ATOM 0 HA ARG A 106 3.413 -2.568 7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.019 -1.074 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.765 -0.103 9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.794 -3.036 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.092 -2.060 11.083 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.291 -0.403 11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.088 -1.589 11.433 1.00 0.00 H new ATOM 0 HE ARG A 106 4.283 -2.497 13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.557 -0.597 13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.666 -1.719 14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.891 -4.364 14.161 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.415 -3.835 14.976 1.00 0.00 H new ATOM 487 N HIS A 107 0.737 -1.166 9.140 1.00 0.00 N ATOM 488 CA HIS A 107 -0.530 -1.436 9.878 1.00 0.00 C ATOM 489 C HIS A 107 -1.625 -1.963 8.942 1.00 0.00 C ATOM 490 O HIS A 107 -2.557 -2.597 9.385 1.00 0.00 O ATOM 491 CB HIS A 107 -1.011 -0.134 10.523 1.00 0.00 C ATOM 492 CG HIS A 107 -2.254 -0.398 11.327 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.508 -0.815 10.963 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.296 -0.227 12.702 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.319 -0.903 12.090 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -3.540 -0.538 13.110 1.00 0.00 N flip ATOM 0 H HIS A 107 0.756 -0.291 8.616 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.333 -2.196 10.634 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.231 0.275 11.165 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.215 0.611 9.754 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.802 -1.029 10.010 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -1.480 0.097 13.331 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.356 -1.202 12.131 1.00 0.00 H new ATOM 504 N VAL A 108 -1.546 -1.703 7.665 1.00 0.00 N ATOM 505 CA VAL A 108 -2.622 -2.189 6.748 1.00 0.00 C ATOM 506 C VAL A 108 -2.171 -3.433 5.996 1.00 0.00 C ATOM 507 O VAL A 108 -2.892 -4.402 5.924 1.00 0.00 O ATOM 508 CB VAL A 108 -2.980 -1.099 5.740 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.413 -1.321 5.256 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.874 0.273 6.406 1.00 0.00 C ATOM 0 H VAL A 108 -0.792 -1.181 7.219 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.495 -2.436 7.352 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.293 -1.141 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.678 -0.547 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.489 -2.300 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.095 -1.275 6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.130 1.049 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.562 0.322 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.855 0.428 6.759 1.00 0.00 H new ATOM 520 N MET A 109 -0.996 -3.420 5.427 1.00 0.00 N ATOM 521 CA MET A 109 -0.530 -4.616 4.677 1.00 0.00 C ATOM 522 C MET A 109 -0.205 -5.753 5.655 1.00 0.00 C ATOM 523 O MET A 109 0.216 -6.821 5.257 1.00 0.00 O ATOM 524 CB MET A 109 0.715 -4.260 3.871 1.00 0.00 C ATOM 525 CG MET A 109 0.549 -4.778 2.439 1.00 0.00 C ATOM 526 SD MET A 109 2.048 -5.653 1.929 1.00 0.00 S ATOM 527 CE MET A 109 3.230 -4.358 2.376 1.00 0.00 C ATOM 0 H MET A 109 -0.343 -2.636 5.450 1.00 0.00 H new ATOM 0 HA MET A 109 -1.319 -4.944 4.000 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.864 -3.180 3.866 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.600 -4.701 4.330 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.311 -5.445 2.381 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.353 -3.947 1.762 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.231 -4.654 2.061 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.954 -3.427 1.881 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.218 -4.212 3.456 1.00 0.00 H new ATOM 537 N THR A 110 -0.392 -5.534 6.930 1.00 0.00 N ATOM 538 CA THR A 110 -0.091 -6.606 7.917 1.00 0.00 C ATOM 539 C THR A 110 -1.384 -7.310 8.340 1.00 0.00 C ATOM 540 O THR A 110 -1.357 -8.348 8.970 1.00 0.00 O ATOM 541 CB THR A 110 0.577 -5.994 9.145 1.00 0.00 C ATOM 542 OG1 THR A 110 0.945 -7.028 10.048 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.403 -5.043 9.824 1.00 0.00 C ATOM 0 H THR A 110 -0.739 -4.661 7.327 1.00 0.00 H new ATOM 0 HA THR A 110 0.578 -7.334 7.458 1.00 0.00 H new ATOM 0 HB THR A 110 1.470 -5.445 8.845 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.913 -7.174 10.002 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.068 -4.602 10.703 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.685 -4.253 9.128 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.293 -5.594 10.127 1.00 0.00 H new ATOM 551 N ASN A 111 -2.517 -6.762 7.991 1.00 0.00 N ATOM 552 CA ASN A 111 -3.804 -7.415 8.371 1.00 0.00 C ATOM 553 C ASN A 111 -4.519 -7.866 7.101 1.00 0.00 C ATOM 554 O ASN A 111 -5.099 -8.932 7.050 1.00 0.00 O ATOM 555 CB ASN A 111 -4.715 -6.445 9.145 1.00 0.00 C ATOM 556 CG ASN A 111 -4.112 -5.038 9.183 1.00 0.00 C ATOM 557 OD1 ASN A 111 -2.937 -4.874 9.440 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.882 -4.008 8.944 1.00 0.00 N ATOM 0 H ASN A 111 -2.608 -5.895 7.462 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.586 -8.267 9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.698 -6.411 8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.860 -6.810 10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.495 -3.065 8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.869 -4.148 8.728 1.00 0.00 H new ATOM 565 N LEU A 112 -4.490 -7.050 6.080 1.00 0.00 N ATOM 566 CA LEU A 112 -5.171 -7.415 4.803 1.00 0.00 C ATOM 567 C LEU A 112 -4.722 -8.803 4.309 1.00 0.00 C ATOM 568 O LEU A 112 -4.227 -9.615 5.064 1.00 0.00 O ATOM 569 CB LEU A 112 -4.900 -6.339 3.733 1.00 0.00 C ATOM 570 CG LEU A 112 -3.403 -6.156 3.389 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.473 -6.826 4.420 1.00 0.00 C ATOM 572 CD2 LEU A 112 -3.151 -6.755 2.004 1.00 0.00 C ATOM 0 H LEU A 112 -4.022 -6.144 6.076 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.244 -7.463 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.442 -6.601 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.301 -5.387 4.080 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.177 -5.090 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.434 -6.667 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.646 -6.390 5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.680 -7.896 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.100 -6.636 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.405 -7.815 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.769 -6.241 1.267 1.00 0.00 H new ATOM 584 N GLY A 113 -4.910 -9.090 3.050 1.00 0.00 N ATOM 585 CA GLY A 113 -4.521 -10.433 2.520 1.00 0.00 C ATOM 586 C GLY A 113 -2.998 -10.566 2.380 1.00 0.00 C ATOM 587 O GLY A 113 -2.508 -11.581 1.926 1.00 0.00 O ATOM 0 H GLY A 113 -5.316 -8.454 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.895 -11.210 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.991 -10.592 1.550 1.00 0.00 H new ATOM 591 N GLU A 114 -2.239 -9.571 2.750 1.00 0.00 N ATOM 592 CA GLU A 114 -0.752 -9.699 2.610 1.00 0.00 C ATOM 593 C GLU A 114 -0.119 -10.152 3.920 1.00 0.00 C ATOM 594 O GLU A 114 0.799 -10.948 3.926 1.00 0.00 O ATOM 595 CB GLU A 114 -0.120 -8.358 2.226 1.00 0.00 C ATOM 596 CG GLU A 114 -0.130 -8.200 0.707 1.00 0.00 C ATOM 597 CD GLU A 114 0.875 -9.173 0.089 1.00 0.00 C ATOM 598 OE1 GLU A 114 2.035 -8.807 -0.017 1.00 0.00 O ATOM 599 OE2 GLU A 114 0.470 -10.268 -0.265 1.00 0.00 O ATOM 0 H GLU A 114 -2.572 -8.688 3.137 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.570 -10.437 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.670 -7.540 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.903 -8.307 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.129 -8.395 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.124 -7.176 0.435 1.00 0.00 H new ATOM 606 N LYS A 115 -0.551 -9.624 5.031 1.00 0.00 N ATOM 607 CA LYS A 115 0.105 -10.014 6.304 1.00 0.00 C ATOM 608 C LYS A 115 1.529 -9.475 6.226 1.00 0.00 C ATOM 609 O LYS A 115 2.170 -9.562 5.199 1.00 0.00 O ATOM 610 CB LYS A 115 0.121 -11.539 6.443 1.00 0.00 C ATOM 611 CG LYS A 115 -1.252 -12.101 6.067 1.00 0.00 C ATOM 612 CD LYS A 115 -1.311 -13.589 6.416 1.00 0.00 C ATOM 613 CE LYS A 115 -2.581 -13.870 7.219 1.00 0.00 C ATOM 614 NZ LYS A 115 -3.733 -14.023 6.286 1.00 0.00 N ATOM 0 H LYS A 115 -1.315 -8.953 5.111 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.426 -9.613 7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 115 0.889 -11.965 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 115 0.372 -11.819 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.035 -11.561 6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.435 -11.960 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.303 -14.188 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.431 -13.874 6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.456 -14.776 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.770 -13.055 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.598 -14.214 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.855 -13.147 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.551 -14.815 5.636 1.00 0.00 H new ATOM 628 N LEU A 116 2.027 -8.878 7.263 1.00 0.00 N ATOM 629 CA LEU A 116 3.388 -8.307 7.166 1.00 0.00 C ATOM 630 C LEU A 116 3.765 -7.659 8.493 1.00 0.00 C ATOM 631 O LEU A 116 3.257 -6.613 8.849 1.00 0.00 O ATOM 632 CB LEU A 116 3.378 -7.241 6.064 1.00 0.00 C ATOM 633 CG LEU A 116 4.688 -7.265 5.277 1.00 0.00 C ATOM 634 CD1 LEU A 116 4.927 -8.669 4.708 1.00 0.00 C ATOM 635 CD2 LEU A 116 4.593 -6.274 4.117 1.00 0.00 C ATOM 0 H LEU A 116 1.559 -8.761 8.162 1.00 0.00 H new ATOM 0 HA LEU A 116 4.111 -9.089 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.540 -7.416 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.231 -6.255 6.506 1.00 0.00 H new ATOM 0 HG LEU A 116 5.510 -6.994 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.862 -8.680 4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.985 -9.388 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.104 -8.938 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.525 -6.286 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.768 -6.557 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.419 -5.272 4.508 1.00 0.00 H new ATOM 647 N THR A 117 4.657 -8.262 9.223 1.00 0.00 N ATOM 648 CA THR A 117 5.078 -7.664 10.515 1.00 0.00 C ATOM 649 C THR A 117 5.533 -6.233 10.242 1.00 0.00 C ATOM 650 O THR A 117 5.365 -5.731 9.154 1.00 0.00 O ATOM 651 CB THR A 117 6.235 -8.473 11.102 1.00 0.00 C ATOM 652 OG1 THR A 117 7.419 -8.215 10.355 1.00 0.00 O ATOM 653 CG2 THR A 117 5.897 -9.962 11.034 1.00 0.00 C ATOM 0 H THR A 117 5.112 -9.142 8.981 1.00 0.00 H new ATOM 0 HA THR A 117 4.253 -7.670 11.227 1.00 0.00 H new ATOM 0 HB THR A 117 6.394 -8.185 12.141 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.162 -8.732 10.731 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.720 -10.541 11.452 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.990 -10.156 11.606 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.740 -10.252 9.995 1.00 0.00 H new ATOM 661 N ASP A 118 6.111 -5.572 11.201 1.00 0.00 N ATOM 662 CA ASP A 118 6.568 -4.174 10.957 1.00 0.00 C ATOM 663 C ASP A 118 7.872 -4.207 10.155 1.00 0.00 C ATOM 664 O ASP A 118 8.216 -3.266 9.472 1.00 0.00 O ATOM 665 CB ASP A 118 6.795 -3.469 12.302 1.00 0.00 C ATOM 666 CG ASP A 118 7.149 -1.993 12.083 1.00 0.00 C ATOM 667 OD1 ASP A 118 7.732 -1.683 11.059 1.00 0.00 O ATOM 668 OD2 ASP A 118 6.827 -1.195 12.949 1.00 0.00 O ATOM 0 H ASP A 118 6.287 -5.933 12.138 1.00 0.00 H new ATOM 0 HA ASP A 118 5.811 -3.628 10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.897 -3.546 12.916 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.598 -3.964 12.848 1.00 0.00 H new ATOM 673 N GLU A 119 8.601 -5.286 10.229 1.00 0.00 N ATOM 674 CA GLU A 119 9.882 -5.370 9.471 1.00 0.00 C ATOM 675 C GLU A 119 9.610 -5.696 8.001 1.00 0.00 C ATOM 676 O GLU A 119 9.913 -4.920 7.121 1.00 0.00 O ATOM 677 CB GLU A 119 10.768 -6.462 10.079 1.00 0.00 C ATOM 678 CG GLU A 119 11.235 -6.023 11.469 1.00 0.00 C ATOM 679 CD GLU A 119 12.493 -6.803 11.861 1.00 0.00 C ATOM 680 OE1 GLU A 119 13.556 -6.452 11.379 1.00 0.00 O ATOM 681 OE2 GLU A 119 12.371 -7.734 12.641 1.00 0.00 O ATOM 0 H GLU A 119 8.366 -6.112 10.780 1.00 0.00 H new ATOM 0 HA GLU A 119 10.390 -4.407 9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.214 -7.398 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.628 -6.647 9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.443 -4.953 11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.445 -6.196 12.200 1.00 0.00 H new ATOM 688 N GLU A 120 9.059 -6.842 7.725 1.00 0.00 N ATOM 689 CA GLU A 120 8.792 -7.219 6.308 1.00 0.00 C ATOM 690 C GLU A 120 7.961 -6.137 5.614 1.00 0.00 C ATOM 691 O GLU A 120 7.948 -6.044 4.402 1.00 0.00 O ATOM 692 CB GLU A 120 8.044 -8.556 6.252 1.00 0.00 C ATOM 693 CG GLU A 120 6.967 -8.615 7.342 1.00 0.00 C ATOM 694 CD GLU A 120 7.018 -9.983 8.027 1.00 0.00 C ATOM 695 OE1 GLU A 120 8.041 -10.290 8.616 1.00 0.00 O ATOM 696 OE2 GLU A 120 6.034 -10.700 7.948 1.00 0.00 O ATOM 0 H GLU A 120 8.781 -7.536 8.419 1.00 0.00 H new ATOM 0 HA GLU A 120 9.747 -7.317 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.585 -8.682 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.747 -9.379 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.129 -7.823 8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.982 -8.450 6.906 1.00 0.00 H new ATOM 703 N VAL A 121 7.261 -5.322 6.353 1.00 0.00 N ATOM 704 CA VAL A 121 6.437 -4.266 5.694 1.00 0.00 C ATOM 705 C VAL A 121 7.247 -2.974 5.525 1.00 0.00 C ATOM 706 O VAL A 121 7.288 -2.396 4.457 1.00 0.00 O ATOM 707 CB VAL A 121 5.182 -3.963 6.519 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.577 -3.536 7.930 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.407 -2.833 5.849 1.00 0.00 C ATOM 0 H VAL A 121 7.222 -5.339 7.372 1.00 0.00 H new ATOM 0 HA VAL A 121 6.143 -4.641 4.714 1.00 0.00 H new ATOM 0 HB VAL A 121 4.562 -4.858 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.679 -3.322 8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.137 -4.339 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.198 -2.641 7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.512 -2.611 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.035 -1.943 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.120 -3.136 4.842 1.00 0.00 H new ATOM 719 N ASP A 122 7.870 -2.500 6.572 1.00 0.00 N ATOM 720 CA ASP A 122 8.648 -1.230 6.464 1.00 0.00 C ATOM 721 C ASP A 122 9.800 -1.389 5.467 1.00 0.00 C ATOM 722 O ASP A 122 10.016 -0.548 4.616 1.00 0.00 O ATOM 723 CB ASP A 122 9.214 -0.859 7.836 1.00 0.00 C ATOM 724 CG ASP A 122 8.379 0.271 8.443 1.00 0.00 C ATOM 725 OD1 ASP A 122 7.276 -0.006 8.886 1.00 0.00 O ATOM 726 OD2 ASP A 122 8.855 1.393 8.453 1.00 0.00 O ATOM 0 H ASP A 122 7.874 -2.935 7.494 1.00 0.00 H new ATOM 0 HA ASP A 122 7.983 -0.442 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 122 9.202 -1.728 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.254 -0.546 7.740 1.00 0.00 H new ATOM 731 N GLU A 123 10.550 -2.451 5.570 1.00 0.00 N ATOM 732 CA GLU A 123 11.695 -2.654 4.636 1.00 0.00 C ATOM 733 C GLU A 123 11.182 -2.811 3.203 1.00 0.00 C ATOM 734 O GLU A 123 11.904 -2.597 2.250 1.00 0.00 O ATOM 735 CB GLU A 123 12.461 -3.917 5.040 1.00 0.00 C ATOM 736 CG GLU A 123 13.934 -3.574 5.263 1.00 0.00 C ATOM 737 CD GLU A 123 14.099 -2.891 6.622 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.882 -3.552 7.624 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.436 -1.719 6.637 1.00 0.00 O ATOM 0 H GLU A 123 10.420 -3.189 6.262 1.00 0.00 H new ATOM 0 HA GLU A 123 12.355 -1.788 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.034 -4.338 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.367 -4.676 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.539 -4.480 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.290 -2.918 4.469 1.00 0.00 H new ATOM 746 N MET A 124 9.944 -3.190 3.039 1.00 0.00 N ATOM 747 CA MET A 124 9.398 -3.366 1.664 1.00 0.00 C ATOM 748 C MET A 124 8.827 -2.039 1.159 1.00 0.00 C ATOM 749 O MET A 124 8.529 -1.887 -0.010 1.00 0.00 O ATOM 750 CB MET A 124 8.290 -4.421 1.690 1.00 0.00 C ATOM 751 CG MET A 124 8.453 -5.362 0.495 1.00 0.00 C ATOM 752 SD MET A 124 9.037 -6.976 1.071 1.00 0.00 S ATOM 753 CE MET A 124 10.745 -6.819 0.492 1.00 0.00 C ATOM 0 H MET A 124 9.289 -3.385 3.796 1.00 0.00 H new ATOM 0 HA MET A 124 10.197 -3.689 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.334 -4.987 2.621 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.313 -3.939 1.656 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.502 -5.473 -0.026 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.161 -4.941 -0.219 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.300 -7.722 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.751 -6.682 -0.589 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.213 -5.958 0.970 1.00 0.00 H new ATOM 763 N ILE A 125 8.665 -1.077 2.026 1.00 0.00 N ATOM 764 CA ILE A 125 8.108 0.231 1.585 1.00 0.00 C ATOM 765 C ILE A 125 9.177 1.008 0.810 1.00 0.00 C ATOM 766 O ILE A 125 8.889 1.654 -0.178 1.00 0.00 O ATOM 767 CB ILE A 125 7.619 1.015 2.821 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.132 1.325 2.652 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.393 2.331 3.006 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.354 0.712 3.814 1.00 0.00 C ATOM 0 H ILE A 125 8.894 -1.141 3.018 1.00 0.00 H new ATOM 0 HA ILE A 125 7.258 0.077 0.920 1.00 0.00 H new ATOM 0 HB ILE A 125 7.790 0.400 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.975 2.403 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.770 0.924 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.018 2.853 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.453 2.114 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.257 2.960 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.293 0.931 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.503 -0.368 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.710 1.135 4.754 1.00 0.00 H new ATOM 782 N ARG A 126 10.409 0.948 1.240 1.00 0.00 N ATOM 783 CA ARG A 126 11.476 1.679 0.506 1.00 0.00 C ATOM 784 C ARG A 126 11.312 1.404 -0.989 1.00 0.00 C ATOM 785 O ARG A 126 11.709 2.189 -1.827 1.00 0.00 O ATOM 786 CB ARG A 126 12.849 1.194 0.976 1.00 0.00 C ATOM 787 CG ARG A 126 12.819 -0.322 1.171 1.00 0.00 C ATOM 788 CD ARG A 126 14.247 -0.870 1.125 1.00 0.00 C ATOM 789 NE ARG A 126 15.075 -0.184 2.155 1.00 0.00 N ATOM 790 CZ ARG A 126 16.369 -0.098 2.002 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.863 0.463 0.932 1.00 0.00 N ATOM 792 NH2 ARG A 126 17.168 -0.571 2.919 1.00 0.00 N ATOM 0 H ARG A 126 10.719 0.428 2.061 1.00 0.00 H new ATOM 0 HA ARG A 126 11.397 2.749 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.611 1.461 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.119 1.686 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.354 -0.568 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.214 -0.788 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.241 -1.945 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.676 -0.714 0.135 1.00 0.00 H new ATOM 0 HE ARG A 126 14.631 0.219 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.238 0.834 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.874 0.531 0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.782 -1.008 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.179 -0.504 2.799 1.00 0.00 H new ATOM 806 N GLU A 127 10.719 0.289 -1.323 1.00 0.00 N ATOM 807 CA GLU A 127 10.510 -0.054 -2.756 1.00 0.00 C ATOM 808 C GLU A 127 9.369 0.796 -3.324 1.00 0.00 C ATOM 809 O GLU A 127 9.476 1.353 -4.398 1.00 0.00 O ATOM 810 CB GLU A 127 10.142 -1.532 -2.868 1.00 0.00 C ATOM 811 CG GLU A 127 9.822 -1.874 -4.324 1.00 0.00 C ATOM 812 CD GLU A 127 10.438 -3.229 -4.677 1.00 0.00 C ATOM 813 OE1 GLU A 127 10.429 -4.101 -3.825 1.00 0.00 O ATOM 814 OE2 GLU A 127 10.907 -3.371 -5.795 1.00 0.00 O ATOM 0 H GLU A 127 10.369 -0.402 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 127 11.424 0.143 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.966 -2.150 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.282 -1.752 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.743 -1.903 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.214 -1.101 -4.985 1.00 0.00 H new ATOM 821 N ALA A 128 8.277 0.900 -2.612 1.00 0.00 N ATOM 822 CA ALA A 128 7.135 1.713 -3.120 1.00 0.00 C ATOM 823 C ALA A 128 7.212 3.120 -2.527 1.00 0.00 C ATOM 824 O ALA A 128 7.534 4.075 -3.206 1.00 0.00 O ATOM 825 CB ALA A 128 5.818 1.055 -2.704 1.00 0.00 C ATOM 0 H ALA A 128 8.128 0.459 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 128 7.183 1.773 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.982 1.648 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.765 0.051 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.768 0.997 -1.617 1.00 0.00 H new ATOM 831 N ASP A 129 6.920 3.254 -1.264 1.00 0.00 N ATOM 832 CA ASP A 129 6.976 4.597 -0.622 1.00 0.00 C ATOM 833 C ASP A 129 8.400 5.155 -0.745 1.00 0.00 C ATOM 834 O ASP A 129 9.321 4.678 -0.111 1.00 0.00 O ATOM 835 CB ASP A 129 6.576 4.460 0.855 1.00 0.00 C ATOM 836 CG ASP A 129 7.166 5.610 1.681 1.00 0.00 C ATOM 837 OD1 ASP A 129 7.445 6.647 1.105 1.00 0.00 O ATOM 838 OD2 ASP A 129 7.327 5.430 2.877 1.00 0.00 O ATOM 0 H ASP A 129 6.644 2.490 -0.647 1.00 0.00 H new ATOM 0 HA ASP A 129 6.287 5.283 -1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.490 4.460 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 129 6.928 3.506 1.246 1.00 0.00 H new ATOM 843 N ILE A 130 8.582 6.163 -1.554 1.00 0.00 N ATOM 844 CA ILE A 130 9.941 6.755 -1.717 1.00 0.00 C ATOM 845 C ILE A 130 9.809 8.239 -2.070 1.00 0.00 C ATOM 846 O ILE A 130 10.195 8.671 -3.138 1.00 0.00 O ATOM 847 CB ILE A 130 10.686 6.027 -2.838 1.00 0.00 C ATOM 848 CG1 ILE A 130 9.813 5.997 -4.094 1.00 0.00 C ATOM 849 CG2 ILE A 130 10.998 4.596 -2.400 1.00 0.00 C ATOM 850 CD1 ILE A 130 10.706 5.958 -5.336 1.00 0.00 C ATOM 0 H ILE A 130 7.848 6.603 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 130 10.498 6.650 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 130 11.617 6.551 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.160 5.124 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.169 6.876 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 130 11.529 4.078 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 130 11.620 4.617 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.068 4.071 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.084 5.937 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 130 11.340 6.844 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.331 5.065 -5.307 1.00 0.00 H new ATOM 862 N ASP A 131 9.265 9.022 -1.179 1.00 0.00 N ATOM 863 CA ASP A 131 9.104 10.476 -1.457 1.00 0.00 C ATOM 864 C ASP A 131 8.108 10.667 -2.603 1.00 0.00 C ATOM 865 O ASP A 131 6.914 10.735 -2.390 1.00 0.00 O ATOM 866 CB ASP A 131 10.458 11.076 -1.844 1.00 0.00 C ATOM 867 CG ASP A 131 11.062 11.795 -0.636 1.00 0.00 C ATOM 868 OD1 ASP A 131 10.454 12.746 -0.172 1.00 0.00 O ATOM 869 OD2 ASP A 131 12.123 11.384 -0.196 1.00 0.00 O ATOM 0 H ASP A 131 8.924 8.716 -0.268 1.00 0.00 H new ATOM 0 HA ASP A 131 8.730 10.979 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 131 11.131 10.290 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 131 10.335 11.774 -2.672 1.00 0.00 H new ATOM 874 N GLY A 132 8.593 10.748 -3.815 1.00 0.00 N ATOM 875 CA GLY A 132 7.683 10.933 -4.985 1.00 0.00 C ATOM 876 C GLY A 132 6.548 11.892 -4.616 1.00 0.00 C ATOM 877 O GLY A 132 6.756 13.074 -4.427 1.00 0.00 O ATOM 0 H GLY A 132 9.585 10.694 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 132 8.243 11.327 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.273 9.971 -5.293 1.00 0.00 H new ATOM 881 N ASP A 133 5.351 11.386 -4.507 1.00 0.00 N ATOM 882 CA ASP A 133 4.197 12.255 -4.144 1.00 0.00 C ATOM 883 C ASP A 133 3.315 11.507 -3.144 1.00 0.00 C ATOM 884 O ASP A 133 2.314 10.918 -3.501 1.00 0.00 O ATOM 885 CB ASP A 133 3.385 12.580 -5.400 1.00 0.00 C ATOM 886 CG ASP A 133 3.295 11.338 -6.286 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.220 11.110 -7.049 1.00 0.00 O ATOM 888 OD2 ASP A 133 2.304 10.633 -6.187 1.00 0.00 O ATOM 0 H ASP A 133 5.122 10.403 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 133 4.556 13.184 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.385 12.915 -5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.854 13.397 -5.948 1.00 0.00 H new ATOM 893 N GLY A 134 3.689 11.510 -1.895 1.00 0.00 N ATOM 894 CA GLY A 134 2.885 10.783 -0.873 1.00 0.00 C ATOM 895 C GLY A 134 3.483 9.390 -0.685 1.00 0.00 C ATOM 896 O GLY A 134 3.197 8.490 -1.448 1.00 0.00 O ATOM 0 H GLY A 134 4.518 11.985 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.891 11.328 0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.845 10.709 -1.192 1.00 0.00 H new ATOM 900 N GLN A 135 4.321 9.229 0.320 1.00 0.00 N ATOM 901 CA GLN A 135 4.988 7.911 0.605 1.00 0.00 C ATOM 902 C GLN A 135 4.338 6.775 -0.193 1.00 0.00 C ATOM 903 O GLN A 135 4.650 6.564 -1.348 1.00 0.00 O ATOM 904 CB GLN A 135 4.879 7.612 2.101 1.00 0.00 C ATOM 905 CG GLN A 135 5.845 8.513 2.872 1.00 0.00 C ATOM 906 CD GLN A 135 5.814 8.145 4.356 1.00 0.00 C ATOM 907 OE1 GLN A 135 6.024 7.003 4.714 1.00 0.00 O ATOM 908 NE2 GLN A 135 5.559 9.069 5.241 1.00 0.00 N ATOM 0 H GLN A 135 4.575 9.974 0.969 1.00 0.00 H new ATOM 0 HA GLN A 135 6.034 7.978 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.858 7.779 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.111 6.564 2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.856 8.400 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.567 9.559 2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.383 10.028 4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.536 8.833 6.233 1.00 0.00 H new ATOM 917 N VAL A 136 3.425 6.057 0.398 1.00 0.00 N ATOM 918 CA VAL A 136 2.751 4.959 -0.352 1.00 0.00 C ATOM 919 C VAL A 136 1.339 5.416 -0.693 1.00 0.00 C ATOM 920 O VAL A 136 0.591 5.829 0.167 1.00 0.00 O ATOM 921 CB VAL A 136 2.699 3.684 0.492 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.821 2.753 0.037 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.877 4.028 1.976 1.00 0.00 C ATOM 0 H VAL A 136 3.117 6.181 1.362 1.00 0.00 H new ATOM 0 HA VAL A 136 3.309 4.736 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 136 1.733 3.195 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.798 1.838 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.685 2.507 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.782 3.249 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.838 3.114 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 136 3.841 4.516 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.079 4.699 2.292 1.00 0.00 H new ATOM 933 N ASN A 137 0.970 5.385 -1.939 1.00 0.00 N ATOM 934 CA ASN A 137 -0.389 5.873 -2.294 1.00 0.00 C ATOM 935 C ASN A 137 -1.170 4.858 -3.120 1.00 0.00 C ATOM 936 O ASN A 137 -1.601 5.154 -4.214 1.00 0.00 O ATOM 937 CB ASN A 137 -0.258 7.172 -3.082 1.00 0.00 C ATOM 938 CG ASN A 137 0.951 7.078 -4.020 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.088 6.027 -4.785 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 1.778 7.968 -4.056 1.00 0.00 N flip ATOM 0 H ASN A 137 1.538 5.049 -2.716 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.940 6.034 -1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.166 7.354 -3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -0.139 8.014 -2.400 1.00 0.00 H new ATOM 0 HD21 ASN A 137 1.671 8.788 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.579 7.895 -4.683 1.00 0.00 H new ATOM 947 N TYR A 138 -1.408 3.693 -2.588 1.00 0.00 N ATOM 948 CA TYR A 138 -2.223 2.688 -3.326 1.00 0.00 C ATOM 949 C TYR A 138 -1.547 2.312 -4.639 1.00 0.00 C ATOM 950 O TYR A 138 -0.854 1.321 -4.726 1.00 0.00 O ATOM 951 CB TYR A 138 -3.593 3.295 -3.633 1.00 0.00 C ATOM 952 CG TYR A 138 -4.367 3.505 -2.353 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.778 4.147 -1.253 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.683 3.053 -2.273 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.507 4.333 -0.079 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.416 3.241 -1.095 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.828 3.882 0.000 1.00 0.00 C ATOM 958 OH TYR A 138 -6.551 4.065 1.159 1.00 0.00 O ATOM 0 H TYR A 138 -1.073 3.392 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.326 1.794 -2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.470 4.245 -4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.150 2.637 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.758 4.498 -1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.137 2.558 -3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.052 4.825 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.436 2.891 -1.032 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.937 4.222 1.906 1.00 0.00 H new ATOM 968 N GLU A 139 -1.766 3.086 -5.667 1.00 0.00 N ATOM 969 CA GLU A 139 -1.152 2.768 -6.981 1.00 0.00 C ATOM 970 C GLU A 139 0.292 2.316 -6.757 1.00 0.00 C ATOM 971 O GLU A 139 0.815 1.482 -7.467 1.00 0.00 O ATOM 972 CB GLU A 139 -1.164 4.008 -7.881 1.00 0.00 C ATOM 973 CG GLU A 139 -2.477 4.772 -7.691 1.00 0.00 C ATOM 974 CD GLU A 139 -2.802 5.554 -8.965 1.00 0.00 C ATOM 975 OE1 GLU A 139 -2.511 5.050 -10.037 1.00 0.00 O ATOM 976 OE2 GLU A 139 -3.337 6.644 -8.846 1.00 0.00 O ATOM 0 H GLU A 139 -2.345 3.926 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.722 1.975 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -0.319 4.653 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.052 3.713 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.285 4.077 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.394 5.454 -6.844 1.00 0.00 H new ATOM 983 N GLU A 140 0.928 2.854 -5.753 1.00 0.00 N ATOM 984 CA GLU A 140 2.328 2.456 -5.448 1.00 0.00 C ATOM 985 C GLU A 140 2.294 1.428 -4.316 1.00 0.00 C ATOM 986 O GLU A 140 3.149 0.572 -4.205 1.00 0.00 O ATOM 987 CB GLU A 140 3.128 3.682 -5.002 1.00 0.00 C ATOM 988 CG GLU A 140 3.693 4.397 -6.232 1.00 0.00 C ATOM 989 CD GLU A 140 5.158 3.999 -6.424 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.928 4.179 -5.495 1.00 0.00 O ATOM 991 OE2 GLU A 140 5.485 3.520 -7.498 1.00 0.00 O ATOM 0 H GLU A 140 0.534 3.557 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 140 2.800 2.031 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.490 4.360 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.939 3.379 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.114 4.133 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 140 3.611 5.477 -6.108 1.00 0.00 H new ATOM 998 N PHE A 141 1.297 1.516 -3.477 1.00 0.00 N ATOM 999 CA PHE A 141 1.172 0.559 -2.342 1.00 0.00 C ATOM 1000 C PHE A 141 0.656 -0.789 -2.855 1.00 0.00 C ATOM 1001 O PHE A 141 0.460 -1.719 -2.097 1.00 0.00 O ATOM 1002 CB PHE A 141 0.181 1.129 -1.326 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.167 0.075 -0.305 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.837 -0.725 0.246 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.495 -0.092 0.101 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.512 -1.693 1.199 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.818 -1.058 1.059 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.816 -1.858 1.607 1.00 0.00 C ATOM 0 H PHE A 141 0.558 2.217 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 141 2.146 0.413 -1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.613 1.999 -0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.722 1.467 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.863 -0.595 -0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.271 0.526 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.287 -2.315 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.843 -1.184 1.374 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.065 -2.605 2.346 1.00 0.00 H new ATOM 1018 N VAL A 142 0.438 -0.906 -4.136 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.060 -2.194 -4.694 1.00 0.00 C ATOM 1020 C VAL A 142 1.135 -3.101 -4.986 1.00 0.00 C ATOM 1021 O VAL A 142 1.031 -4.312 -4.962 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.831 -1.928 -5.988 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.017 -0.995 -6.887 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -1.074 -3.251 -6.718 1.00 0.00 C ATOM 0 H VAL A 142 0.584 -0.164 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.723 -2.676 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.787 -1.461 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.567 -0.806 -7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.158 -0.052 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.939 -1.461 -7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.623 -3.062 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.117 -3.717 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.654 -3.917 -6.080 1.00 0.00 H new ATOM 1034 N GLN A 143 2.272 -2.522 -5.258 1.00 0.00 N ATOM 1035 CA GLN A 143 3.480 -3.344 -5.546 1.00 0.00 C ATOM 1036 C GLN A 143 3.772 -4.241 -4.344 1.00 0.00 C ATOM 1037 O GLN A 143 4.380 -5.286 -4.468 1.00 0.00 O ATOM 1038 CB GLN A 143 4.674 -2.421 -5.799 1.00 0.00 C ATOM 1039 CG GLN A 143 5.718 -3.152 -6.645 1.00 0.00 C ATOM 1040 CD GLN A 143 6.267 -2.204 -7.713 1.00 0.00 C ATOM 1041 OE1 GLN A 143 6.250 -0.916 -7.499 1.00 0.00 O flip ATOM 1042 NE2 GLN A 143 6.716 -2.640 -8.755 1.00 0.00 N flip ATOM 0 H GLN A 143 2.416 -1.513 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 143 3.306 -3.959 -6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.345 -1.516 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.113 -2.109 -4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.529 -3.510 -6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.271 -4.027 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.730 -3.646 -8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.079 -2.000 -9.461 1.00 0.00 H new ATOM 1051 N MET A 144 3.337 -3.843 -3.180 1.00 0.00 N ATOM 1052 CA MET A 144 3.582 -4.674 -1.968 1.00 0.00 C ATOM 1053 C MET A 144 2.481 -5.725 -1.868 1.00 0.00 C ATOM 1054 O MET A 144 2.670 -6.798 -1.331 1.00 0.00 O ATOM 1055 CB MET A 144 3.542 -3.802 -0.707 1.00 0.00 C ATOM 1056 CG MET A 144 4.141 -2.424 -0.991 1.00 0.00 C ATOM 1057 SD MET A 144 5.802 -2.331 -0.281 1.00 0.00 S ATOM 1058 CE MET A 144 6.690 -3.009 -1.704 1.00 0.00 C ATOM 0 H MET A 144 2.822 -2.978 -3.016 1.00 0.00 H new ATOM 0 HA MET A 144 4.562 -5.144 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.513 -3.694 -0.364 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.096 -4.288 0.096 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.183 -2.248 -2.066 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.508 -1.646 -0.565 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.512 -3.635 -1.356 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.008 -3.608 -2.307 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.087 -2.193 -2.308 1.00 0.00 H new ATOM 1068 N MET A 145 1.325 -5.409 -2.378 1.00 0.00 N ATOM 1069 CA MET A 145 0.187 -6.363 -2.317 1.00 0.00 C ATOM 1070 C MET A 145 0.327 -7.402 -3.431 1.00 0.00 C ATOM 1071 O MET A 145 -0.278 -8.454 -3.390 1.00 0.00 O ATOM 1072 CB MET A 145 -1.122 -5.589 -2.490 1.00 0.00 C ATOM 1073 CG MET A 145 -1.075 -4.304 -1.654 1.00 0.00 C ATOM 1074 SD MET A 145 -1.937 -4.575 -0.088 1.00 0.00 S ATOM 1075 CE MET A 145 -3.531 -5.043 -0.800 1.00 0.00 C ATOM 0 H MET A 145 1.119 -4.522 -2.838 1.00 0.00 H new ATOM 0 HA MET A 145 0.185 -6.874 -1.354 1.00 0.00 H new ATOM 0 HB2 MET A 145 -1.276 -5.345 -3.541 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.965 -6.206 -2.179 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.040 -4.016 -1.467 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.540 -3.484 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.335 -4.570 -0.236 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.576 -4.716 -1.839 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.645 -6.126 -0.756 1.00 0.00 H new ATOM 1085 N THR A 146 1.125 -7.117 -4.423 1.00 0.00 N ATOM 1086 CA THR A 146 1.306 -8.092 -5.532 1.00 0.00 C ATOM 1087 C THR A 146 2.799 -8.292 -5.789 1.00 0.00 C ATOM 1088 O THR A 146 3.208 -8.706 -6.856 1.00 0.00 O ATOM 1089 CB THR A 146 0.633 -7.560 -6.801 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.021 -8.357 -7.911 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.057 -6.109 -7.037 1.00 0.00 C ATOM 0 H THR A 146 1.658 -6.252 -4.512 1.00 0.00 H new ATOM 0 HA THR A 146 0.852 -9.044 -5.258 1.00 0.00 H new ATOM 0 HB THR A 146 -0.450 -7.604 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 146 1.999 -8.386 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.577 -5.732 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.757 -5.499 -6.185 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.140 -6.061 -7.154 1.00 0.00 H new ATOM 1099 N ALA A 147 3.616 -8.004 -4.815 1.00 0.00 N ATOM 1100 CA ALA A 147 5.084 -8.179 -4.994 1.00 0.00 C ATOM 1101 C ALA A 147 5.403 -9.666 -5.161 1.00 0.00 C ATOM 1102 O ALA A 147 4.528 -10.475 -5.398 1.00 0.00 O ATOM 1103 CB ALA A 147 5.815 -7.636 -3.765 1.00 0.00 C ATOM 0 H ALA A 147 3.330 -7.654 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 147 5.410 -7.635 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 147 6.890 -7.764 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 147 5.587 -6.577 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.490 -8.180 -2.878 1.00 0.00 H new ATOM 1109 N LYS A 148 6.649 -10.032 -5.041 1.00 0.00 N ATOM 1110 CA LYS A 148 7.022 -11.468 -5.193 1.00 0.00 C ATOM 1111 C LYS A 148 6.379 -12.029 -6.462 1.00 0.00 C ATOM 1112 O LYS A 148 5.912 -11.239 -7.266 1.00 0.00 O ATOM 1113 CB LYS A 148 6.525 -12.255 -3.978 1.00 0.00 C ATOM 1114 CG LYS A 148 7.641 -12.345 -2.935 1.00 0.00 C ATOM 1115 CD LYS A 148 8.681 -13.372 -3.387 1.00 0.00 C ATOM 1116 CE LYS A 148 9.976 -12.652 -3.768 1.00 0.00 C ATOM 1117 NZ LYS A 148 10.997 -12.870 -2.704 1.00 0.00 N ATOM 1118 OXT LYS A 148 6.365 -13.240 -6.609 1.00 0.00 O ATOM 0 H LYS A 148 7.425 -9.400 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 148 8.106 -11.557 -5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 148 5.650 -11.767 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 148 6.215 -13.255 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 148 8.110 -11.370 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 148 7.227 -12.632 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 148 8.872 -14.088 -2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 148 8.303 -13.938 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 148 10.345 -13.026 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 148 9.788 -11.586 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 11.878 -12.381 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 10.644 -12.493 -1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.183 -13.888 -2.605 1.00 0.00 H new TER 1132 LYS A 148