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 107 HIS :FLIP no HE2:sc= -0.553 F(o=-10!,f=-5.7) USER MOD Set 1.2: A 111 ASN : amide:sc= -5.17! C(o=-5.7!,f=-12!) USER MOD Single : A 76 MET CE :methyl -118:sc= -0.0123 (180deg=-0.0633) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 71:sc= 0.827 USER MOD Single : A 81 SER OG : rot 49:sc= 0.715 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -158:sc= -10.8! (180deg=-13.3!) USER MOD Single : A 110 THR OG1 : rot 155:sc= 0.722 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.68) USER MOD Single : A 137 ASN :FLIP amide:sc= -6.34! C(o=-7.3!,f=-6.3!) USER MOD Single : A 138 TYR OH : rot -38:sc= -5.22! USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 144 MET CE :methyl -121:sc= -3.67! (180deg=-10.5!) USER MOD Single : A 145 MET CE :methyl -136:sc= -12.1! (180deg=-18.2!) USER MOD Single : A 146 THR OG1 : rot -67:sc= 1.1 USER MOD Single : A 148 LYS NZ :NH3+ 142:sc= -0.349 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -13.246 -4.189 -19.328 1.00 0.00 N ATOM 2 CA MET A 76 -12.120 -3.224 -19.188 1.00 0.00 C ATOM 3 C MET A 76 -11.392 -3.476 -17.867 1.00 0.00 C ATOM 4 O MET A 76 -11.987 -3.876 -16.885 1.00 0.00 O ATOM 5 CB MET A 76 -12.668 -1.795 -19.202 1.00 0.00 C ATOM 6 CG MET A 76 -13.738 -1.647 -18.119 1.00 0.00 C ATOM 7 SD MET A 76 -15.375 -1.607 -18.889 1.00 0.00 S ATOM 8 CE MET A 76 -15.307 0.102 -19.480 1.00 0.00 C ATOM 0 HA MET A 76 -11.425 -3.356 -20.017 1.00 0.00 H new ATOM 0 HB2 MET A 76 -11.861 -1.083 -19.030 1.00 0.00 H new ATOM 0 HB3 MET A 76 -13.092 -1.566 -20.180 1.00 0.00 H new ATOM 0 HG2 MET A 76 -13.676 -2.477 -17.415 1.00 0.00 H new ATOM 0 HG3 MET A 76 -13.570 -0.733 -17.549 1.00 0.00 H new ATOM 0 HE1 MET A 76 -16.096 0.683 -19.004 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.338 0.534 -19.232 1.00 0.00 H new ATOM 0 HE3 MET A 76 -15.446 0.119 -20.561 1.00 0.00 H new ATOM 20 N LYS A 77 -10.108 -3.247 -17.832 1.00 0.00 N ATOM 21 CA LYS A 77 -9.344 -3.476 -16.574 1.00 0.00 C ATOM 22 C LYS A 77 -9.452 -2.238 -15.680 1.00 0.00 C ATOM 23 O LYS A 77 -8.643 -1.335 -15.753 1.00 0.00 O ATOM 24 CB LYS A 77 -7.873 -3.734 -16.911 1.00 0.00 C ATOM 25 CG LYS A 77 -7.337 -2.589 -17.771 1.00 0.00 C ATOM 26 CD LYS A 77 -6.728 -3.156 -19.054 1.00 0.00 C ATOM 27 CE LYS A 77 -6.669 -2.060 -20.121 1.00 0.00 C ATOM 28 NZ LYS A 77 -7.348 -2.536 -21.359 1.00 0.00 N ATOM 0 H LYS A 77 -9.555 -2.911 -18.621 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.755 -4.340 -16.051 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.289 -3.819 -15.995 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.771 -4.680 -17.442 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.142 -1.895 -18.014 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.586 -2.025 -17.218 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.727 -3.539 -18.855 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.325 -3.995 -19.412 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.151 -1.154 -19.754 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.632 -1.804 -20.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.308 -1.792 -22.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.869 -3.389 -21.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.341 -2.760 -21.146 1.00 0.00 H new ATOM 42 N ASP A 78 -10.446 -2.192 -14.835 1.00 0.00 N ATOM 43 CA ASP A 78 -10.604 -1.013 -13.938 1.00 0.00 C ATOM 44 C ASP A 78 -11.007 -1.487 -12.540 1.00 0.00 C ATOM 45 O ASP A 78 -12.053 -2.076 -12.351 1.00 0.00 O ATOM 46 CB ASP A 78 -11.690 -0.090 -14.496 1.00 0.00 C ATOM 47 CG ASP A 78 -11.632 1.260 -13.777 1.00 0.00 C ATOM 48 OD1 ASP A 78 -11.293 1.271 -12.606 1.00 0.00 O ATOM 49 OD2 ASP A 78 -11.927 2.259 -14.411 1.00 0.00 O ATOM 0 H ASP A 78 -11.154 -2.918 -14.727 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.660 -0.471 -13.880 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.548 0.050 -15.568 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.672 -0.544 -14.362 1.00 0.00 H new ATOM 54 N THR A 79 -10.186 -1.234 -11.558 1.00 0.00 N ATOM 55 CA THR A 79 -10.523 -1.671 -10.174 1.00 0.00 C ATOM 56 C THR A 79 -10.882 -3.158 -10.181 1.00 0.00 C ATOM 57 O THR A 79 -11.963 -3.548 -9.786 1.00 0.00 O ATOM 58 CB THR A 79 -11.715 -0.861 -9.659 1.00 0.00 C ATOM 59 OG1 THR A 79 -11.464 0.523 -9.856 1.00 0.00 O ATOM 60 CG2 THR A 79 -11.917 -1.138 -8.169 1.00 0.00 C ATOM 0 H THR A 79 -9.297 -0.744 -11.654 1.00 0.00 H new ATOM 0 HA THR A 79 -9.664 -1.508 -9.523 1.00 0.00 H new ATOM 0 HB THR A 79 -12.614 -1.149 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.510 0.731 -10.813 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.766 -0.561 -7.803 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.109 -2.200 -8.019 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.020 -0.851 -7.621 1.00 0.00 H new ATOM 68 N ASP A 80 -9.983 -3.994 -10.627 1.00 0.00 N ATOM 69 CA ASP A 80 -10.274 -5.455 -10.659 1.00 0.00 C ATOM 70 C ASP A 80 -9.241 -6.199 -9.810 1.00 0.00 C ATOM 71 O ASP A 80 -8.986 -7.370 -10.012 1.00 0.00 O ATOM 72 CB ASP A 80 -10.206 -5.957 -12.102 1.00 0.00 C ATOM 73 CG ASP A 80 -11.354 -6.935 -12.358 1.00 0.00 C ATOM 74 OD1 ASP A 80 -11.791 -7.566 -11.410 1.00 0.00 O ATOM 75 OD2 ASP A 80 -11.778 -7.035 -13.498 1.00 0.00 O ATOM 0 H ASP A 80 -9.060 -3.728 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.271 -5.636 -10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.269 -5.117 -12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.249 -6.447 -12.283 1.00 0.00 H new ATOM 80 N SER A 81 -8.646 -5.529 -8.862 1.00 0.00 N ATOM 81 CA SER A 81 -7.631 -6.200 -8.001 1.00 0.00 C ATOM 82 C SER A 81 -7.260 -5.277 -6.838 1.00 0.00 C ATOM 83 O SER A 81 -7.095 -5.712 -5.716 1.00 0.00 O ATOM 84 CB SER A 81 -6.381 -6.503 -8.829 1.00 0.00 C ATOM 85 OG SER A 81 -6.382 -7.878 -9.193 1.00 0.00 O ATOM 0 H SER A 81 -8.818 -4.547 -8.646 1.00 0.00 H new ATOM 0 HA SER A 81 -8.043 -7.130 -7.610 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.362 -5.878 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.485 -6.267 -8.256 1.00 0.00 H new ATOM 0 HG SER A 81 -7.259 -8.119 -9.558 1.00 0.00 H new ATOM 91 N GLU A 82 -7.130 -4.004 -7.097 1.00 0.00 N ATOM 92 CA GLU A 82 -6.772 -3.056 -6.004 1.00 0.00 C ATOM 93 C GLU A 82 -8.036 -2.657 -5.242 1.00 0.00 C ATOM 94 O GLU A 82 -8.020 -1.762 -4.421 1.00 0.00 O ATOM 95 CB GLU A 82 -6.122 -1.807 -6.604 1.00 0.00 C ATOM 96 CG GLU A 82 -4.768 -2.177 -7.212 1.00 0.00 C ATOM 97 CD GLU A 82 -4.456 -1.236 -8.376 1.00 0.00 C ATOM 98 OE1 GLU A 82 -4.584 -0.036 -8.194 1.00 0.00 O ATOM 99 OE2 GLU A 82 -4.094 -1.730 -9.431 1.00 0.00 O ATOM 0 H GLU A 82 -7.256 -3.580 -8.016 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.072 -3.537 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.770 -1.378 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.991 -1.047 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.987 -2.108 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.784 -3.210 -7.560 1.00 0.00 H new ATOM 106 N GLU A 83 -9.133 -3.311 -5.508 1.00 0.00 N ATOM 107 CA GLU A 83 -10.397 -2.969 -4.799 1.00 0.00 C ATOM 108 C GLU A 83 -10.346 -3.511 -3.369 1.00 0.00 C ATOM 109 O GLU A 83 -11.113 -3.110 -2.517 1.00 0.00 O ATOM 110 CB GLU A 83 -11.574 -3.593 -5.540 1.00 0.00 C ATOM 111 CG GLU A 83 -11.245 -5.047 -5.838 1.00 0.00 C ATOM 112 CD GLU A 83 -12.482 -5.916 -5.598 1.00 0.00 C ATOM 113 OE1 GLU A 83 -13.524 -5.593 -6.147 1.00 0.00 O ATOM 114 OE2 GLU A 83 -12.367 -6.888 -4.871 1.00 0.00 O ATOM 0 H GLU A 83 -9.208 -4.069 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.517 -1.886 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.479 -3.526 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.768 -3.052 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.911 -5.150 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.425 -5.382 -5.203 1.00 0.00 H new ATOM 121 N GLU A 84 -9.450 -4.422 -3.100 1.00 0.00 N ATOM 122 CA GLU A 84 -9.354 -4.988 -1.726 1.00 0.00 C ATOM 123 C GLU A 84 -8.205 -4.315 -0.971 1.00 0.00 C ATOM 124 O GLU A 84 -8.255 -4.149 0.231 1.00 0.00 O ATOM 125 CB GLU A 84 -9.100 -6.494 -1.811 1.00 0.00 C ATOM 126 CG GLU A 84 -7.972 -6.766 -2.806 1.00 0.00 C ATOM 127 CD GLU A 84 -7.117 -7.931 -2.306 1.00 0.00 C ATOM 128 OE1 GLU A 84 -6.707 -7.889 -1.158 1.00 0.00 O ATOM 129 OE2 GLU A 84 -6.887 -8.847 -3.080 1.00 0.00 O ATOM 0 H GLU A 84 -8.781 -4.798 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.288 -4.807 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.835 -6.885 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.008 -7.009 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.387 -7.001 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.356 -5.875 -2.926 1.00 0.00 H new ATOM 136 N ILE A 85 -7.170 -3.921 -1.664 1.00 0.00 N ATOM 137 CA ILE A 85 -6.028 -3.256 -0.976 1.00 0.00 C ATOM 138 C ILE A 85 -6.371 -1.793 -0.729 1.00 0.00 C ATOM 139 O ILE A 85 -6.182 -1.276 0.353 1.00 0.00 O ATOM 140 CB ILE A 85 -4.773 -3.342 -1.847 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.357 -4.809 -1.974 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.640 -2.545 -1.190 1.00 0.00 C ATOM 143 CD1 ILE A 85 -4.984 -5.418 -3.230 1.00 0.00 C ATOM 0 H ILE A 85 -7.067 -4.031 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.841 -3.757 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.979 -2.929 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.271 -4.886 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.675 -5.364 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.745 -2.606 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.940 -1.502 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.427 -2.960 -0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.685 -6.463 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.070 -5.356 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.644 -4.870 -4.109 1.00 0.00 H new ATOM 155 N ARG A 86 -6.871 -1.117 -1.724 1.00 0.00 N ATOM 156 CA ARG A 86 -7.216 0.312 -1.531 1.00 0.00 C ATOM 157 C ARG A 86 -8.254 0.426 -0.411 1.00 0.00 C ATOM 158 O ARG A 86 -8.345 1.430 0.252 1.00 0.00 O ATOM 159 CB ARG A 86 -7.752 0.905 -2.854 1.00 0.00 C ATOM 160 CG ARG A 86 -9.255 1.223 -2.762 1.00 0.00 C ATOM 161 CD ARG A 86 -9.467 2.471 -1.895 1.00 0.00 C ATOM 162 NE ARG A 86 -10.307 3.453 -2.638 1.00 0.00 N ATOM 163 CZ ARG A 86 -11.546 3.165 -2.927 1.00 0.00 C ATOM 164 NH1 ARG A 86 -12.256 2.439 -2.107 1.00 0.00 N ATOM 165 NH2 ARG A 86 -12.075 3.600 -4.038 1.00 0.00 N ATOM 0 H ARG A 86 -7.054 -1.491 -2.655 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.329 0.878 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.201 1.814 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.577 0.200 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.664 1.387 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.790 0.376 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.951 2.198 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.506 2.917 -1.640 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.913 4.350 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.842 2.097 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.225 2.214 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.520 4.165 -4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.044 3.375 -4.264 1.00 0.00 H new ATOM 179 N GLU A 87 -9.039 -0.595 -0.201 1.00 0.00 N ATOM 180 CA GLU A 87 -10.064 -0.529 0.873 1.00 0.00 C ATOM 181 C GLU A 87 -9.368 -0.485 2.235 1.00 0.00 C ATOM 182 O GLU A 87 -9.673 0.339 3.073 1.00 0.00 O ATOM 183 CB GLU A 87 -10.963 -1.762 0.793 1.00 0.00 C ATOM 184 CG GLU A 87 -12.036 -1.677 1.878 1.00 0.00 C ATOM 185 CD GLU A 87 -12.832 -2.983 1.913 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.033 -3.561 0.858 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.226 -3.384 2.997 1.00 0.00 O ATOM 0 H GLU A 87 -9.014 -1.469 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.671 0.368 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.428 -1.823 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.370 -2.667 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.574 -1.495 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.703 -0.838 1.680 1.00 0.00 H new ATOM 194 N ALA A 88 -8.431 -1.362 2.460 1.00 0.00 N ATOM 195 CA ALA A 88 -7.713 -1.362 3.764 1.00 0.00 C ATOM 196 C ALA A 88 -6.537 -0.383 3.691 1.00 0.00 C ATOM 197 O ALA A 88 -5.755 -0.268 4.610 1.00 0.00 O ATOM 198 CB ALA A 88 -7.192 -2.770 4.057 1.00 0.00 C ATOM 0 H ALA A 88 -8.131 -2.078 1.798 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.393 -1.056 4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.666 -2.772 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.030 -3.466 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.508 -3.077 3.265 1.00 0.00 H new ATOM 204 N PHE A 89 -6.435 0.348 2.612 1.00 0.00 N ATOM 205 CA PHE A 89 -5.347 1.346 2.455 1.00 0.00 C ATOM 206 C PHE A 89 -6.014 2.720 2.404 1.00 0.00 C ATOM 207 O PHE A 89 -5.378 3.744 2.553 1.00 0.00 O ATOM 208 CB PHE A 89 -4.572 1.067 1.151 1.00 0.00 C ATOM 209 CG PHE A 89 -3.116 1.477 1.297 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.317 0.932 2.315 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.564 2.416 0.413 1.00 0.00 C ATOM 212 CE1 PHE A 89 -0.980 1.326 2.445 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.228 2.807 0.545 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.436 2.264 1.561 1.00 0.00 C ATOM 0 H PHE A 89 -7.075 0.291 1.820 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.636 1.297 3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.634 0.007 0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.029 1.614 0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.735 0.208 2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.173 2.838 -0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.368 0.905 3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.807 3.529 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.595 2.568 1.663 1.00 0.00 H new ATOM 224 N ARG A 90 -7.321 2.737 2.238 1.00 0.00 N ATOM 225 CA ARG A 90 -8.059 4.021 2.224 1.00 0.00 C ATOM 226 C ARG A 90 -8.378 4.370 3.675 1.00 0.00 C ATOM 227 O ARG A 90 -8.592 5.508 4.040 1.00 0.00 O ATOM 228 CB ARG A 90 -9.362 3.882 1.416 1.00 0.00 C ATOM 229 CG ARG A 90 -10.468 3.261 2.279 1.00 0.00 C ATOM 230 CD ARG A 90 -11.689 2.940 1.409 1.00 0.00 C ATOM 231 NE ARG A 90 -11.711 3.835 0.215 1.00 0.00 N ATOM 232 CZ ARG A 90 -12.539 4.843 0.171 1.00 0.00 C ATOM 233 NH1 ARG A 90 -12.247 5.954 0.789 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.657 4.740 -0.493 1.00 0.00 N ATOM 0 H ARG A 90 -7.899 1.906 2.112 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.461 4.803 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.680 4.861 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.187 3.261 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.102 2.352 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.749 3.949 3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.657 1.897 1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.603 3.069 1.988 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.079 3.659 -0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.372 6.035 1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.894 6.742 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.884 3.872 -0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.304 5.528 -0.527 1.00 0.00 H new ATOM 248 N VAL A 91 -8.401 3.364 4.494 1.00 0.00 N ATOM 249 CA VAL A 91 -8.690 3.540 5.933 1.00 0.00 C ATOM 250 C VAL A 91 -7.775 4.614 6.527 1.00 0.00 C ATOM 251 O VAL A 91 -8.036 5.142 7.589 1.00 0.00 O ATOM 252 CB VAL A 91 -8.426 2.199 6.613 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.331 2.388 8.128 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.574 1.242 6.282 1.00 0.00 C ATOM 0 H VAL A 91 -8.226 2.399 4.215 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.722 3.856 6.083 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.484 1.786 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.143 1.426 8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.515 3.073 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.268 2.801 8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.396 0.280 6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.513 1.661 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.632 1.103 5.202 1.00 0.00 H new ATOM 264 N PHE A 92 -6.696 4.928 5.866 1.00 0.00 N ATOM 265 CA PHE A 92 -5.766 5.950 6.415 1.00 0.00 C ATOM 266 C PHE A 92 -5.798 7.222 5.566 1.00 0.00 C ATOM 267 O PHE A 92 -5.565 8.305 6.062 1.00 0.00 O ATOM 268 CB PHE A 92 -4.361 5.373 6.421 1.00 0.00 C ATOM 269 CG PHE A 92 -4.288 4.264 7.440 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.124 4.571 8.794 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.384 2.929 7.030 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.054 3.542 9.742 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.313 1.900 7.976 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.149 2.207 9.332 1.00 0.00 C ATOM 0 H PHE A 92 -6.420 4.522 4.972 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.073 6.209 7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.107 4.992 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.636 6.151 6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.051 5.601 9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.513 2.693 5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.927 3.778 10.788 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.385 0.870 7.660 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.096 1.413 10.062 1.00 0.00 H new ATOM 284 N ASP A 93 -6.082 7.106 4.296 1.00 0.00 N ATOM 285 CA ASP A 93 -6.132 8.322 3.434 1.00 0.00 C ATOM 286 C ASP A 93 -7.514 8.973 3.592 1.00 0.00 C ATOM 287 O ASP A 93 -8.326 8.977 2.690 1.00 0.00 O ATOM 288 CB ASP A 93 -5.883 7.926 1.970 1.00 0.00 C ATOM 289 CG ASP A 93 -7.078 7.141 1.426 1.00 0.00 C ATOM 290 OD1 ASP A 93 -7.920 6.756 2.218 1.00 0.00 O ATOM 291 OD2 ASP A 93 -7.131 6.939 0.224 1.00 0.00 O ATOM 0 H ASP A 93 -6.281 6.226 3.820 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.361 9.033 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.720 8.819 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.978 7.322 1.897 1.00 0.00 H new ATOM 296 N LYS A 94 -7.782 9.510 4.752 1.00 0.00 N ATOM 297 CA LYS A 94 -9.108 10.149 5.009 1.00 0.00 C ATOM 298 C LYS A 94 -9.350 11.286 4.013 1.00 0.00 C ATOM 299 O LYS A 94 -10.405 11.385 3.419 1.00 0.00 O ATOM 300 CB LYS A 94 -9.138 10.711 6.435 1.00 0.00 C ATOM 301 CG LYS A 94 -8.343 9.797 7.373 1.00 0.00 C ATOM 302 CD LYS A 94 -7.015 10.468 7.730 1.00 0.00 C ATOM 303 CE LYS A 94 -6.636 10.122 9.172 1.00 0.00 C ATOM 304 NZ LYS A 94 -5.350 10.790 9.521 1.00 0.00 N ATOM 0 H LYS A 94 -7.135 9.534 5.540 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.889 9.398 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.716 11.716 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.168 10.794 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.917 9.598 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.160 8.835 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.233 10.135 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.099 11.549 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.423 10.445 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.540 9.042 9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.092 10.555 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.602 10.461 8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.458 11.820 9.429 1.00 0.00 H new ATOM 318 N ASP A 95 -8.388 12.145 3.824 1.00 0.00 N ATOM 319 CA ASP A 95 -8.576 13.268 2.866 1.00 0.00 C ATOM 320 C ASP A 95 -8.418 12.739 1.442 1.00 0.00 C ATOM 321 O ASP A 95 -8.615 13.450 0.477 1.00 0.00 O ATOM 322 CB ASP A 95 -7.527 14.351 3.130 1.00 0.00 C ATOM 323 CG ASP A 95 -8.185 15.729 3.045 1.00 0.00 C ATOM 324 OD1 ASP A 95 -8.539 16.128 1.948 1.00 0.00 O ATOM 325 OD2 ASP A 95 -8.324 16.361 4.079 1.00 0.00 O ATOM 0 H ASP A 95 -7.481 12.118 4.291 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.571 13.696 2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.082 14.209 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.720 14.276 2.401 1.00 0.00 H new ATOM 330 N GLY A 96 -8.059 11.493 1.306 1.00 0.00 N ATOM 331 CA GLY A 96 -7.884 10.913 -0.049 1.00 0.00 C ATOM 332 C GLY A 96 -6.542 11.366 -0.620 1.00 0.00 C ATOM 333 O GLY A 96 -6.448 11.780 -1.759 1.00 0.00 O ATOM 0 H GLY A 96 -7.879 10.852 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.923 9.825 0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.697 11.232 -0.702 1.00 0.00 H new ATOM 337 N ASN A 97 -5.502 11.290 0.163 1.00 0.00 N ATOM 338 CA ASN A 97 -4.165 11.717 -0.335 1.00 0.00 C ATOM 339 C ASN A 97 -3.531 10.564 -1.112 1.00 0.00 C ATOM 340 O ASN A 97 -2.680 10.762 -1.955 1.00 0.00 O ATOM 341 CB ASN A 97 -3.272 12.089 0.849 1.00 0.00 C ATOM 342 CG ASN A 97 -3.898 13.257 1.614 1.00 0.00 C ATOM 343 OD1 ASN A 97 -3.997 14.352 1.097 1.00 0.00 O ATOM 344 ND2 ASN A 97 -4.326 13.068 2.832 1.00 0.00 N ATOM 0 H ASN A 97 -5.520 10.951 1.125 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.275 12.584 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.151 11.231 1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.278 12.363 0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.744 13.840 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.242 12.148 3.265 1.00 0.00 H new ATOM 351 N GLY A 98 -3.943 9.359 -0.831 1.00 0.00 N ATOM 352 CA GLY A 98 -3.368 8.188 -1.547 1.00 0.00 C ATOM 353 C GLY A 98 -2.099 7.732 -0.830 1.00 0.00 C ATOM 354 O GLY A 98 -1.978 6.594 -0.425 1.00 0.00 O ATOM 0 H GLY A 98 -4.654 9.135 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.093 7.375 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.141 8.454 -2.579 1.00 0.00 H new ATOM 358 N TYR A 99 -1.150 8.614 -0.671 1.00 0.00 N ATOM 359 CA TYR A 99 0.113 8.232 0.016 1.00 0.00 C ATOM 360 C TYR A 99 -0.092 8.246 1.528 1.00 0.00 C ATOM 361 O TYR A 99 -0.512 9.228 2.106 1.00 0.00 O ATOM 362 CB TYR A 99 1.227 9.209 -0.389 1.00 0.00 C ATOM 363 CG TYR A 99 1.225 10.422 0.516 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.786 10.337 1.795 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.664 11.626 0.075 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.787 11.455 2.635 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.664 12.746 0.916 1.00 0.00 C ATOM 368 CZ TYR A 99 1.226 12.660 2.196 1.00 0.00 C ATOM 369 OH TYR A 99 1.226 13.763 3.025 1.00 0.00 O ATOM 0 H TYR A 99 -1.196 9.582 -0.988 1.00 0.00 H new ATOM 0 HA TYR A 99 0.402 7.224 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.194 8.709 -0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.087 9.520 -1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.219 9.407 2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.232 11.691 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.220 11.389 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.231 13.676 0.578 1.00 0.00 H new ATOM 0 HH TYR A 99 0.800 14.517 2.566 1.00 0.00 H new ATOM 379 N ILE A 100 0.215 7.157 2.167 1.00 0.00 N ATOM 380 CA ILE A 100 0.059 7.083 3.636 1.00 0.00 C ATOM 381 C ILE A 100 1.433 6.809 4.260 1.00 0.00 C ATOM 382 O ILE A 100 2.389 6.533 3.565 1.00 0.00 O ATOM 383 CB ILE A 100 -0.935 5.976 3.997 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.007 4.925 2.880 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.324 6.592 4.198 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.996 3.840 3.288 1.00 0.00 C ATOM 0 H ILE A 100 0.571 6.308 1.728 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.330 8.025 4.023 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.600 5.491 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.321 5.389 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.022 4.492 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.036 5.808 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.284 7.325 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.641 7.082 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.055 3.088 2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.661 3.372 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.980 4.283 3.441 1.00 0.00 H new ATOM 398 N SER A 101 1.550 6.908 5.555 1.00 0.00 N ATOM 399 CA SER A 101 2.875 6.691 6.210 1.00 0.00 C ATOM 400 C SER A 101 3.281 5.218 6.152 1.00 0.00 C ATOM 401 O SER A 101 2.514 4.361 5.764 1.00 0.00 O ATOM 402 CB SER A 101 2.785 7.121 7.671 1.00 0.00 C ATOM 403 OG SER A 101 2.430 8.496 7.735 1.00 0.00 O ATOM 0 H SER A 101 0.784 7.130 6.191 1.00 0.00 H new ATOM 0 HA SER A 101 3.623 7.281 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.044 6.517 8.195 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.740 6.957 8.170 1.00 0.00 H new ATOM 0 HG SER A 101 2.370 8.775 8.673 1.00 0.00 H new ATOM 409 N ALA A 102 4.488 4.921 6.558 1.00 0.00 N ATOM 410 CA ALA A 102 4.949 3.506 6.553 1.00 0.00 C ATOM 411 C ALA A 102 4.170 2.748 7.620 1.00 0.00 C ATOM 412 O ALA A 102 3.922 1.569 7.500 1.00 0.00 O ATOM 413 CB ALA A 102 6.446 3.448 6.866 1.00 0.00 C ATOM 0 H ALA A 102 5.173 5.599 6.892 1.00 0.00 H new ATOM 0 HA ALA A 102 4.780 3.058 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.779 2.410 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.997 4.009 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.629 3.883 7.848 1.00 0.00 H new ATOM 419 N ALA A 103 3.761 3.428 8.656 1.00 0.00 N ATOM 420 CA ALA A 103 2.970 2.748 9.714 1.00 0.00 C ATOM 421 C ALA A 103 1.639 2.325 9.100 1.00 0.00 C ATOM 422 O ALA A 103 1.030 1.355 9.504 1.00 0.00 O ATOM 423 CB ALA A 103 2.722 3.713 10.875 1.00 0.00 C ATOM 0 H ALA A 103 3.940 4.420 8.813 1.00 0.00 H new ATOM 0 HA ALA A 103 3.508 1.880 10.095 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.142 3.210 11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.677 4.036 11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.171 4.582 10.515 1.00 0.00 H new ATOM 429 N GLU A 104 1.192 3.051 8.109 1.00 0.00 N ATOM 430 CA GLU A 104 -0.090 2.703 7.443 1.00 0.00 C ATOM 431 C GLU A 104 0.057 1.362 6.732 1.00 0.00 C ATOM 432 O GLU A 104 -0.732 0.459 6.913 1.00 0.00 O ATOM 433 CB GLU A 104 -0.423 3.778 6.413 1.00 0.00 C ATOM 434 CG GLU A 104 -1.432 4.752 7.011 1.00 0.00 C ATOM 435 CD GLU A 104 -0.694 5.935 7.639 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.139 5.698 8.499 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.977 7.058 7.253 1.00 0.00 O ATOM 0 H GLU A 104 1.665 3.873 7.733 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.885 2.639 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.482 4.309 6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.831 3.321 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.114 5.105 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.038 4.247 7.764 1.00 0.00 H new ATOM 444 N LEU A 105 1.065 1.233 5.916 1.00 0.00 N ATOM 445 CA LEU A 105 1.278 -0.040 5.182 1.00 0.00 C ATOM 446 C LEU A 105 1.474 -1.179 6.182 1.00 0.00 C ATOM 447 O LEU A 105 0.879 -2.231 6.070 1.00 0.00 O ATOM 448 CB LEU A 105 2.520 0.095 4.312 1.00 0.00 C ATOM 449 CG LEU A 105 2.163 -0.255 2.873 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.308 0.986 1.989 1.00 0.00 C ATOM 451 CD2 LEU A 105 3.104 -1.360 2.382 1.00 0.00 C ATOM 0 H LEU A 105 1.754 1.961 5.726 1.00 0.00 H new ATOM 0 HA LEU A 105 0.412 -0.257 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.908 1.112 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.307 -0.566 4.675 1.00 0.00 H new ATOM 0 HG LEU A 105 1.132 -0.604 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.052 0.732 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.638 1.768 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.337 1.343 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.856 -1.618 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.135 -1.008 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.991 -2.241 3.014 1.00 0.00 H new ATOM 463 N ARG A 106 2.305 -0.974 7.162 1.00 0.00 N ATOM 464 CA ARG A 106 2.543 -2.036 8.180 1.00 0.00 C ATOM 465 C ARG A 106 1.204 -2.506 8.764 1.00 0.00 C ATOM 466 O ARG A 106 1.121 -3.548 9.382 1.00 0.00 O ATOM 467 CB ARG A 106 3.423 -1.462 9.297 1.00 0.00 C ATOM 468 CG ARG A 106 3.355 -2.361 10.533 1.00 0.00 C ATOM 469 CD ARG A 106 2.119 -1.999 11.361 1.00 0.00 C ATOM 470 NE ARG A 106 2.526 -1.723 12.767 1.00 0.00 N ATOM 471 CZ ARG A 106 1.987 -2.397 13.747 1.00 0.00 C ATOM 472 NH1 ARG A 106 0.704 -2.309 13.970 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.731 -3.159 14.502 1.00 0.00 N ATOM 0 H ARG A 106 2.833 -0.113 7.304 1.00 0.00 H new ATOM 0 HA ARG A 106 3.042 -2.887 7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.454 -1.381 8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.091 -0.455 9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.310 -3.408 10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.256 -2.240 11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.626 -1.125 10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.398 -2.816 11.334 1.00 0.00 H new ATOM 0 HE ARG A 106 3.226 -1.008 12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.123 -1.714 13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.282 -2.835 14.735 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.733 -3.228 14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.310 -3.685 15.267 1.00 0.00 H new ATOM 487 N HIS A 107 0.161 -1.742 8.589 1.00 0.00 N ATOM 488 CA HIS A 107 -1.163 -2.145 9.148 1.00 0.00 C ATOM 489 C HIS A 107 -2.117 -2.564 8.022 1.00 0.00 C ATOM 490 O HIS A 107 -3.105 -3.230 8.257 1.00 0.00 O ATOM 491 CB HIS A 107 -1.769 -0.961 9.905 1.00 0.00 C ATOM 492 CG HIS A 107 -2.997 -1.410 10.645 1.00 0.00 C ATOM 493 ND1 HIS A 107 -4.239 -1.806 10.211 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -3.037 -1.491 12.028 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -5.038 -2.125 11.305 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.265 -1.918 12.374 1.00 0.00 N flip ATOM 0 H HIS A 107 0.167 -0.856 8.083 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.020 -2.990 9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -1.040 -0.552 10.605 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -2.024 -0.163 9.208 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.531 -1.858 9.235 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.229 -1.254 12.705 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.063 -2.466 11.292 1.00 0.00 H new ATOM 504 N VAL A 108 -1.848 -2.177 6.804 1.00 0.00 N ATOM 505 CA VAL A 108 -2.768 -2.557 5.688 1.00 0.00 C ATOM 506 C VAL A 108 -2.285 -3.835 5.013 1.00 0.00 C ATOM 507 O VAL A 108 -3.031 -4.774 4.852 1.00 0.00 O ATOM 508 CB VAL A 108 -2.820 -1.433 4.656 1.00 0.00 C ATOM 509 CG1 VAL A 108 -3.926 -1.733 3.641 1.00 0.00 C ATOM 510 CG2 VAL A 108 -3.109 -0.105 5.362 1.00 0.00 C ATOM 0 H VAL A 108 -1.039 -1.619 6.533 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.763 -2.725 6.101 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.863 -1.362 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.968 -0.933 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.715 -2.679 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.884 -1.801 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.146 0.698 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.067 -0.168 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.320 0.102 6.085 1.00 0.00 H new ATOM 520 N MET A 109 -1.051 -3.884 4.610 1.00 0.00 N ATOM 521 CA MET A 109 -0.542 -5.114 3.948 1.00 0.00 C ATOM 522 C MET A 109 -0.087 -6.102 5.028 1.00 0.00 C ATOM 523 O MET A 109 0.507 -7.123 4.742 1.00 0.00 O ATOM 524 CB MET A 109 0.631 -4.739 3.027 1.00 0.00 C ATOM 525 CG MET A 109 0.334 -5.026 1.534 1.00 0.00 C ATOM 526 SD MET A 109 -1.438 -4.938 1.137 1.00 0.00 S ATOM 527 CE MET A 109 -1.656 -6.674 0.679 1.00 0.00 C ATOM 0 H MET A 109 -0.373 -3.129 4.709 1.00 0.00 H new ATOM 0 HA MET A 109 -1.324 -5.579 3.347 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.861 -3.681 3.151 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.518 -5.295 3.330 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.876 -4.310 0.917 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.710 -6.016 1.278 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.535 -6.775 0.043 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.775 -7.021 0.139 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.789 -7.274 1.579 1.00 0.00 H new ATOM 537 N THR A 110 -0.393 -5.815 6.266 1.00 0.00 N ATOM 538 CA THR A 110 -0.018 -6.739 7.371 1.00 0.00 C ATOM 539 C THR A 110 -1.251 -7.581 7.722 1.00 0.00 C ATOM 540 O THR A 110 -1.157 -8.618 8.347 1.00 0.00 O ATOM 541 CB THR A 110 0.433 -5.922 8.588 1.00 0.00 C ATOM 542 OG1 THR A 110 1.796 -5.554 8.424 1.00 0.00 O ATOM 543 CG2 THR A 110 0.280 -6.750 9.863 1.00 0.00 C ATOM 0 H THR A 110 -0.890 -4.974 6.559 1.00 0.00 H new ATOM 0 HA THR A 110 0.802 -7.390 7.069 1.00 0.00 H new ATOM 0 HB THR A 110 -0.186 -5.028 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.979 -4.739 8.936 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.603 -6.160 10.721 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.765 -7.033 9.990 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.893 -7.649 9.789 1.00 0.00 H new ATOM 551 N ASN A 111 -2.404 -7.136 7.304 1.00 0.00 N ATOM 552 CA ASN A 111 -3.657 -7.898 7.577 1.00 0.00 C ATOM 553 C ASN A 111 -4.281 -8.275 6.232 1.00 0.00 C ATOM 554 O ASN A 111 -4.937 -9.288 6.095 1.00 0.00 O ATOM 555 CB ASN A 111 -4.645 -7.035 8.372 1.00 0.00 C ATOM 556 CG ASN A 111 -3.898 -5.936 9.132 1.00 0.00 C ATOM 557 OD1 ASN A 111 -2.742 -6.091 9.471 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.519 -4.824 9.417 1.00 0.00 N ATOM 0 H ASN A 111 -2.533 -6.270 6.781 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.429 -8.789 8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.374 -6.588 7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.201 -7.658 9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.034 -4.084 9.925 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.490 -4.695 9.132 1.00 0.00 H new ATOM 565 N LEU A 112 -4.067 -7.453 5.238 1.00 0.00 N ATOM 566 CA LEU A 112 -4.622 -7.727 3.882 1.00 0.00 C ATOM 567 C LEU A 112 -4.300 -9.169 3.484 1.00 0.00 C ATOM 568 O LEU A 112 -3.709 -9.916 4.237 1.00 0.00 O ATOM 569 CB LEU A 112 -3.973 -6.772 2.872 1.00 0.00 C ATOM 570 CG LEU A 112 -4.880 -5.564 2.609 1.00 0.00 C ATOM 571 CD1 LEU A 112 -6.018 -5.976 1.675 1.00 0.00 C ATOM 572 CD2 LEU A 112 -5.466 -5.051 3.926 1.00 0.00 C ATOM 0 H LEU A 112 -3.524 -6.593 5.311 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.702 -7.581 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.009 -6.433 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.780 -7.299 1.937 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.292 -4.771 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.663 -5.118 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.604 -6.332 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.599 -6.773 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.109 -4.193 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.051 -5.842 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.657 -4.752 4.592 1.00 0.00 H new ATOM 584 N GLY A 113 -4.676 -9.566 2.298 1.00 0.00 N ATOM 585 CA GLY A 113 -4.383 -10.957 1.854 1.00 0.00 C ATOM 586 C GLY A 113 -2.890 -11.248 2.031 1.00 0.00 C ATOM 587 O GLY A 113 -2.476 -12.387 2.112 1.00 0.00 O ATOM 0 H GLY A 113 -5.172 -8.988 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.973 -11.667 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.667 -11.084 0.809 1.00 0.00 H new ATOM 591 N GLU A 114 -2.079 -10.226 2.092 1.00 0.00 N ATOM 592 CA GLU A 114 -0.615 -10.445 2.262 1.00 0.00 C ATOM 593 C GLU A 114 -0.330 -10.911 3.689 1.00 0.00 C ATOM 594 O GLU A 114 0.027 -12.049 3.921 1.00 0.00 O ATOM 595 CB GLU A 114 0.133 -9.136 2.003 1.00 0.00 C ATOM 596 CG GLU A 114 0.841 -9.215 0.649 1.00 0.00 C ATOM 597 CD GLU A 114 2.345 -9.395 0.866 1.00 0.00 C ATOM 598 OE1 GLU A 114 2.774 -10.530 0.988 1.00 0.00 O ATOM 599 OE2 GLU A 114 3.041 -8.394 0.906 1.00 0.00 O ATOM 0 H GLU A 114 -2.368 -9.250 2.031 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.281 -11.204 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.564 -8.298 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.859 -8.956 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.445 -10.048 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.652 -8.308 0.075 1.00 0.00 H new ATOM 606 N LYS A 115 -0.478 -10.040 4.648 1.00 0.00 N ATOM 607 CA LYS A 115 -0.211 -10.438 6.056 1.00 0.00 C ATOM 608 C LYS A 115 1.238 -10.911 6.182 1.00 0.00 C ATOM 609 O LYS A 115 1.517 -12.092 6.186 1.00 0.00 O ATOM 610 CB LYS A 115 -1.155 -11.574 6.455 1.00 0.00 C ATOM 611 CG LYS A 115 -1.250 -11.651 7.980 1.00 0.00 C ATOM 612 CD LYS A 115 -2.722 -11.704 8.399 1.00 0.00 C ATOM 613 CE LYS A 115 -2.851 -12.479 9.711 1.00 0.00 C ATOM 614 NZ LYS A 115 -4.277 -12.864 9.921 1.00 0.00 N ATOM 0 H LYS A 115 -0.772 -9.072 4.517 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.375 -9.584 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.143 -11.406 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.791 -12.520 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.726 -12.535 8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.764 -10.785 8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.113 -10.694 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.316 -12.184 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.223 -13.369 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.502 -11.868 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.366 -13.391 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.865 -12.007 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.595 -13.462 9.132 1.00 0.00 H new ATOM 628 N LEU A 116 2.165 -9.997 6.289 1.00 0.00 N ATOM 629 CA LEU A 116 3.589 -10.396 6.419 1.00 0.00 C ATOM 630 C LEU A 116 4.085 -10.004 7.815 1.00 0.00 C ATOM 631 O LEU A 116 3.544 -10.437 8.814 1.00 0.00 O ATOM 632 CB LEU A 116 4.414 -9.689 5.332 1.00 0.00 C ATOM 633 CG LEU A 116 4.126 -8.181 5.345 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.373 -7.425 4.886 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.973 -7.872 4.388 1.00 0.00 C ATOM 0 H LEU A 116 1.994 -8.991 6.292 1.00 0.00 H new ATOM 0 HA LEU A 116 3.697 -11.473 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.477 -9.865 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.172 -10.104 4.354 1.00 0.00 H new ATOM 0 HG LEU A 116 3.856 -7.872 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.172 -6.354 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.200 -7.644 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.636 -7.737 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.769 -6.801 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.245 -8.180 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.082 -8.414 4.705 1.00 0.00 H new ATOM 647 N THR A 117 5.095 -9.185 7.901 1.00 0.00 N ATOM 648 CA THR A 117 5.602 -8.763 9.233 1.00 0.00 C ATOM 649 C THR A 117 5.630 -7.237 9.274 1.00 0.00 C ATOM 650 O THR A 117 5.028 -6.580 8.451 1.00 0.00 O ATOM 651 CB THR A 117 7.018 -9.308 9.438 1.00 0.00 C ATOM 652 OG1 THR A 117 7.192 -10.476 8.648 1.00 0.00 O ATOM 653 CG2 THR A 117 7.227 -9.652 10.913 1.00 0.00 C ATOM 0 H THR A 117 5.592 -8.789 7.103 1.00 0.00 H new ATOM 0 HA THR A 117 4.956 -9.149 10.022 1.00 0.00 H new ATOM 0 HB THR A 117 7.745 -8.553 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.098 -10.826 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.235 -10.040 11.057 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.093 -8.755 11.518 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.501 -10.406 11.217 1.00 0.00 H new ATOM 661 N ASP A 118 6.326 -6.664 10.214 1.00 0.00 N ATOM 662 CA ASP A 118 6.386 -5.179 10.281 1.00 0.00 C ATOM 663 C ASP A 118 7.732 -4.712 9.735 1.00 0.00 C ATOM 664 O ASP A 118 7.871 -3.602 9.262 1.00 0.00 O ATOM 665 CB ASP A 118 6.231 -4.721 11.732 1.00 0.00 C ATOM 666 CG ASP A 118 6.231 -3.193 11.787 1.00 0.00 C ATOM 667 OD1 ASP A 118 6.377 -2.582 10.741 1.00 0.00 O ATOM 668 OD2 ASP A 118 6.080 -2.659 12.873 1.00 0.00 O ATOM 0 H ASP A 118 6.853 -7.156 10.935 1.00 0.00 H new ATOM 0 HA ASP A 118 5.579 -4.751 9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.303 -5.111 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.045 -5.117 12.339 1.00 0.00 H new ATOM 673 N GLU A 119 8.726 -5.555 9.784 1.00 0.00 N ATOM 674 CA GLU A 119 10.058 -5.160 9.253 1.00 0.00 C ATOM 675 C GLU A 119 10.070 -5.405 7.746 1.00 0.00 C ATOM 676 O GLU A 119 10.824 -4.798 7.011 1.00 0.00 O ATOM 677 CB GLU A 119 11.151 -5.995 9.923 1.00 0.00 C ATOM 678 CG GLU A 119 11.363 -5.509 11.359 1.00 0.00 C ATOM 679 CD GLU A 119 11.891 -6.660 12.218 1.00 0.00 C ATOM 680 OE1 GLU A 119 12.146 -7.717 11.664 1.00 0.00 O ATOM 681 OE2 GLU A 119 12.031 -6.465 13.414 1.00 0.00 O ATOM 0 H GLU A 119 8.673 -6.498 10.168 1.00 0.00 H new ATOM 0 HA GLU A 119 10.246 -4.107 9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.869 -7.048 9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.081 -5.914 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.069 -4.679 11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.425 -5.136 11.770 1.00 0.00 H new ATOM 688 N GLU A 120 9.227 -6.285 7.280 1.00 0.00 N ATOM 689 CA GLU A 120 9.173 -6.563 5.823 1.00 0.00 C ATOM 690 C GLU A 120 8.300 -5.500 5.154 1.00 0.00 C ATOM 691 O GLU A 120 8.556 -5.082 4.046 1.00 0.00 O ATOM 692 CB GLU A 120 8.567 -7.947 5.586 1.00 0.00 C ATOM 693 CG GLU A 120 9.164 -8.945 6.579 1.00 0.00 C ATOM 694 CD GLU A 120 10.653 -9.130 6.283 1.00 0.00 C ATOM 695 OE1 GLU A 120 11.024 -9.022 5.126 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.396 -9.377 7.218 1.00 0.00 O ATOM 0 H GLU A 120 8.573 -6.823 7.849 1.00 0.00 H new ATOM 0 HA GLU A 120 10.178 -6.538 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.484 -7.906 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.765 -8.272 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.027 -8.586 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.646 -9.901 6.506 1.00 0.00 H new ATOM 703 N VAL A 121 7.269 -5.060 5.824 1.00 0.00 N ATOM 704 CA VAL A 121 6.379 -4.021 5.224 1.00 0.00 C ATOM 705 C VAL A 121 6.997 -2.634 5.409 1.00 0.00 C ATOM 706 O VAL A 121 7.003 -1.824 4.504 1.00 0.00 O ATOM 707 CB VAL A 121 5.001 -4.056 5.895 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.141 -3.970 7.417 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.165 -2.875 5.398 1.00 0.00 C ATOM 0 H VAL A 121 7.004 -5.373 6.758 1.00 0.00 H new ATOM 0 HA VAL A 121 6.267 -4.230 4.160 1.00 0.00 H new ATOM 0 HB VAL A 121 4.511 -4.995 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.152 -3.996 7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.730 -4.814 7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.640 -3.039 7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.185 -2.898 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.669 -1.942 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.045 -2.943 4.317 1.00 0.00 H new ATOM 719 N ASP A 122 7.507 -2.350 6.573 1.00 0.00 N ATOM 720 CA ASP A 122 8.114 -1.008 6.808 1.00 0.00 C ATOM 721 C ASP A 122 9.460 -0.911 6.088 1.00 0.00 C ATOM 722 O ASP A 122 9.765 0.083 5.459 1.00 0.00 O ATOM 723 CB ASP A 122 8.324 -0.796 8.310 1.00 0.00 C ATOM 724 CG ASP A 122 8.746 0.652 8.565 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.057 1.337 7.604 1.00 0.00 O ATOM 726 OD2 ASP A 122 8.752 1.052 9.718 1.00 0.00 O ATOM 0 H ASP A 122 7.531 -2.985 7.371 1.00 0.00 H new ATOM 0 HA ASP A 122 7.443 -0.241 6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.405 -1.019 8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.087 -1.480 8.682 1.00 0.00 H new ATOM 731 N GLU A 123 10.271 -1.927 6.176 1.00 0.00 N ATOM 732 CA GLU A 123 11.595 -1.877 5.496 1.00 0.00 C ATOM 733 C GLU A 123 11.400 -2.006 3.986 1.00 0.00 C ATOM 734 O GLU A 123 12.220 -1.564 3.205 1.00 0.00 O ATOM 735 CB GLU A 123 12.477 -3.021 5.997 1.00 0.00 C ATOM 736 CG GLU A 123 13.938 -2.729 5.644 1.00 0.00 C ATOM 737 CD GLU A 123 14.480 -3.843 4.747 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.975 -3.987 3.646 1.00 0.00 O ATOM 739 OE2 GLU A 123 15.392 -4.530 5.176 1.00 0.00 O ATOM 0 H GLU A 123 10.076 -2.788 6.688 1.00 0.00 H new ATOM 0 HA GLU A 123 12.078 -0.926 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.368 -3.134 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.163 -3.962 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.015 -1.768 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.535 -2.657 6.553 1.00 0.00 H new ATOM 746 N MET A 124 10.322 -2.607 3.563 1.00 0.00 N ATOM 747 CA MET A 124 10.083 -2.759 2.103 1.00 0.00 C ATOM 748 C MET A 124 9.477 -1.471 1.548 1.00 0.00 C ATOM 749 O MET A 124 9.510 -1.223 0.360 1.00 0.00 O ATOM 750 CB MET A 124 9.122 -3.922 1.852 1.00 0.00 C ATOM 751 CG MET A 124 8.865 -4.060 0.350 1.00 0.00 C ATOM 752 SD MET A 124 9.484 -5.661 -0.224 1.00 0.00 S ATOM 753 CE MET A 124 11.114 -5.092 -0.767 1.00 0.00 C ATOM 0 H MET A 124 9.598 -2.998 4.166 1.00 0.00 H new ATOM 0 HA MET A 124 11.031 -2.962 1.605 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.544 -4.847 2.246 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.183 -3.751 2.378 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.798 -3.975 0.144 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.359 -3.252 -0.190 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.679 -5.934 -1.166 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.995 -4.335 -1.542 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.650 -4.663 0.080 1.00 0.00 H new ATOM 763 N ILE A 125 8.921 -0.641 2.394 1.00 0.00 N ATOM 764 CA ILE A 125 8.324 0.622 1.886 1.00 0.00 C ATOM 765 C ILE A 125 9.426 1.481 1.277 1.00 0.00 C ATOM 766 O ILE A 125 9.166 2.429 0.562 1.00 0.00 O ATOM 767 CB ILE A 125 7.594 1.351 3.027 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.103 1.351 2.711 1.00 0.00 C ATOM 769 CG2 ILE A 125 8.077 2.802 3.175 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.327 0.968 3.970 1.00 0.00 C ATOM 0 H ILE A 125 8.857 -0.784 3.402 1.00 0.00 H new ATOM 0 HA ILE A 125 7.588 0.409 1.111 1.00 0.00 H new ATOM 0 HB ILE A 125 7.802 0.834 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.792 2.336 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.889 0.646 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.538 3.283 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.145 2.810 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.891 3.344 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.259 0.966 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.633 -0.026 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.535 1.690 4.759 1.00 0.00 H new ATOM 782 N ARG A 126 10.656 1.128 1.511 1.00 0.00 N ATOM 783 CA ARG A 126 11.771 1.891 0.897 1.00 0.00 C ATOM 784 C ARG A 126 11.945 1.387 -0.541 1.00 0.00 C ATOM 785 O ARG A 126 12.984 1.547 -1.151 1.00 0.00 O ATOM 786 CB ARG A 126 13.052 1.649 1.694 1.00 0.00 C ATOM 787 CG ARG A 126 12.717 1.610 3.186 1.00 0.00 C ATOM 788 CD ARG A 126 13.722 2.465 3.956 1.00 0.00 C ATOM 789 NE ARG A 126 15.011 1.728 4.063 1.00 0.00 N ATOM 790 CZ ARG A 126 15.797 1.931 5.086 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.641 2.926 5.073 1.00 0.00 N ATOM 792 NH2 ARG A 126 15.737 1.139 6.121 1.00 0.00 N ATOM 0 H ARG A 126 10.937 0.344 2.101 1.00 0.00 H new ATOM 0 HA ARG A 126 11.557 2.960 0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.513 0.710 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.775 2.439 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.705 1.980 3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.744 0.583 3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.874 3.416 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.337 2.694 4.950 1.00 0.00 H new ATOM 0 HE ARG A 126 15.280 1.064 3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.687 3.545 4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.255 3.085 5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.076 0.362 6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.351 1.297 6.920 1.00 0.00 H new ATOM 806 N GLU A 127 10.923 0.759 -1.073 1.00 0.00 N ATOM 807 CA GLU A 127 10.985 0.217 -2.447 1.00 0.00 C ATOM 808 C GLU A 127 9.766 0.698 -3.241 1.00 0.00 C ATOM 809 O GLU A 127 9.837 0.895 -4.439 1.00 0.00 O ATOM 810 CB GLU A 127 10.949 -1.308 -2.360 1.00 0.00 C ATOM 811 CG GLU A 127 10.808 -1.904 -3.762 1.00 0.00 C ATOM 812 CD GLU A 127 12.124 -2.568 -4.169 1.00 0.00 C ATOM 813 OE1 GLU A 127 12.798 -3.088 -3.296 1.00 0.00 O ATOM 814 OE2 GLU A 127 12.435 -2.546 -5.350 1.00 0.00 O ATOM 0 H GLU A 127 10.036 0.602 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 127 11.896 0.553 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 127 11.860 -1.676 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 127 10.115 -1.626 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 127 9.999 -2.635 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.546 -1.123 -4.476 1.00 0.00 H new ATOM 821 N ALA A 128 8.638 0.878 -2.594 1.00 0.00 N ATOM 822 CA ALA A 128 7.426 1.328 -3.339 1.00 0.00 C ATOM 823 C ALA A 128 7.475 2.840 -3.562 1.00 0.00 C ATOM 824 O ALA A 128 7.787 3.310 -4.639 1.00 0.00 O ATOM 825 CB ALA A 128 6.170 0.979 -2.538 1.00 0.00 C ATOM 0 H ALA A 128 8.508 0.734 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 128 7.400 0.823 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.287 1.309 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.122 -0.100 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.205 1.479 -1.570 1.00 0.00 H new ATOM 831 N ASP A 129 7.145 3.603 -2.560 1.00 0.00 N ATOM 832 CA ASP A 129 7.143 5.084 -2.712 1.00 0.00 C ATOM 833 C ASP A 129 8.511 5.664 -2.347 1.00 0.00 C ATOM 834 O ASP A 129 8.932 6.660 -2.898 1.00 0.00 O ATOM 835 CB ASP A 129 6.086 5.672 -1.787 1.00 0.00 C ATOM 836 CG ASP A 129 4.904 6.176 -2.617 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.650 5.601 -3.662 1.00 0.00 O ATOM 838 OD2 ASP A 129 4.272 7.129 -2.191 1.00 0.00 O ATOM 0 H ASP A 129 6.875 3.263 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 129 6.923 5.335 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.749 4.917 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 129 6.511 6.490 -1.206 1.00 0.00 H new ATOM 843 N ILE A 130 9.197 5.063 -1.412 1.00 0.00 N ATOM 844 CA ILE A 130 10.530 5.593 -1.003 1.00 0.00 C ATOM 845 C ILE A 130 10.449 7.116 -0.879 1.00 0.00 C ATOM 846 O ILE A 130 11.312 7.836 -1.338 1.00 0.00 O ATOM 847 CB ILE A 130 11.589 5.204 -2.044 1.00 0.00 C ATOM 848 CG1 ILE A 130 11.318 5.925 -3.369 1.00 0.00 C ATOM 849 CG2 ILE A 130 11.538 3.695 -2.278 1.00 0.00 C ATOM 850 CD1 ILE A 130 12.601 5.958 -4.201 1.00 0.00 C ATOM 0 H ILE A 130 8.892 4.227 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 130 10.813 5.166 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 130 12.573 5.492 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.528 5.414 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.969 6.940 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 130 12.289 3.416 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 130 11.739 3.175 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.549 3.417 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 130 12.410 6.470 -5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 130 13.378 6.488 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 130 12.930 4.939 -4.402 1.00 0.00 H new ATOM 862 N ASP A 131 9.407 7.604 -0.259 1.00 0.00 N ATOM 863 CA ASP A 131 9.236 9.077 -0.090 1.00 0.00 C ATOM 864 C ASP A 131 8.826 9.699 -1.431 1.00 0.00 C ATOM 865 O ASP A 131 7.654 9.809 -1.730 1.00 0.00 O ATOM 866 CB ASP A 131 10.542 9.706 0.417 1.00 0.00 C ATOM 867 CG ASP A 131 10.301 11.180 0.748 1.00 0.00 C ATOM 868 OD1 ASP A 131 9.617 11.443 1.723 1.00 0.00 O ATOM 869 OD2 ASP A 131 10.805 12.019 0.020 1.00 0.00 O ATOM 0 H ASP A 131 8.659 7.038 0.142 1.00 0.00 H new ATOM 0 HA ASP A 131 8.455 9.269 0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 131 10.894 9.176 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 131 11.321 9.615 -0.340 1.00 0.00 H new ATOM 874 N GLY A 132 9.773 10.096 -2.242 1.00 0.00 N ATOM 875 CA GLY A 132 9.425 10.704 -3.562 1.00 0.00 C ATOM 876 C GLY A 132 8.217 11.630 -3.406 1.00 0.00 C ATOM 877 O GLY A 132 8.344 12.775 -3.022 1.00 0.00 O ATOM 0 H GLY A 132 10.772 10.026 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 132 10.276 11.264 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.202 9.920 -4.286 1.00 0.00 H new ATOM 881 N ASP A 133 7.043 11.139 -3.699 1.00 0.00 N ATOM 882 CA ASP A 133 5.823 11.985 -3.566 1.00 0.00 C ATOM 883 C ASP A 133 4.808 11.271 -2.672 1.00 0.00 C ATOM 884 O ASP A 133 3.847 10.695 -3.143 1.00 0.00 O ATOM 885 CB ASP A 133 5.210 12.218 -4.948 1.00 0.00 C ATOM 886 CG ASP A 133 6.321 12.497 -5.961 1.00 0.00 C ATOM 887 OD1 ASP A 133 6.977 13.517 -5.825 1.00 0.00 O ATOM 888 OD2 ASP A 133 6.498 11.687 -6.856 1.00 0.00 O ATOM 0 H ASP A 133 6.876 10.187 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 133 6.090 12.944 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.636 11.344 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.517 13.058 -4.913 1.00 0.00 H new ATOM 893 N GLY A 134 5.014 11.299 -1.384 1.00 0.00 N ATOM 894 CA GLY A 134 4.063 10.618 -0.460 1.00 0.00 C ATOM 895 C GLY A 134 4.728 9.372 0.126 1.00 0.00 C ATOM 896 O GLY A 134 5.375 8.615 -0.570 1.00 0.00 O ATOM 0 H GLY A 134 5.800 11.764 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.768 11.296 0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.154 10.341 -0.995 1.00 0.00 H new ATOM 900 N GLN A 135 4.578 9.155 1.404 1.00 0.00 N ATOM 901 CA GLN A 135 5.204 7.961 2.036 1.00 0.00 C ATOM 902 C GLN A 135 4.928 6.722 1.183 1.00 0.00 C ATOM 903 O GLN A 135 5.843 6.077 0.712 1.00 0.00 O ATOM 904 CB GLN A 135 4.630 7.774 3.440 1.00 0.00 C ATOM 905 CG GLN A 135 5.521 8.499 4.450 1.00 0.00 C ATOM 906 CD GLN A 135 6.932 7.909 4.404 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.111 6.718 4.562 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.949 8.699 4.192 1.00 0.00 N ATOM 0 H GLN A 135 4.048 9.754 2.038 1.00 0.00 H new ATOM 0 HA GLN A 135 6.282 8.105 2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.614 8.167 3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.573 6.713 3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 135 5.554 9.565 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.107 8.400 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 135 7.799 9.699 4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.894 8.316 4.159 1.00 0.00 H new ATOM 917 N VAL A 136 3.684 6.375 0.971 1.00 0.00 N ATOM 918 CA VAL A 136 3.388 5.174 0.131 1.00 0.00 C ATOM 919 C VAL A 136 1.959 5.247 -0.399 1.00 0.00 C ATOM 920 O VAL A 136 1.008 4.946 0.291 1.00 0.00 O ATOM 921 CB VAL A 136 3.567 3.889 0.944 1.00 0.00 C ATOM 922 CG1 VAL A 136 4.301 2.850 0.093 1.00 0.00 C ATOM 923 CG2 VAL A 136 4.379 4.173 2.214 1.00 0.00 C ATOM 0 H VAL A 136 2.868 6.865 1.338 1.00 0.00 H new ATOM 0 HA VAL A 136 4.086 5.161 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 136 2.586 3.509 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.430 1.934 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.718 2.636 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 136 5.278 3.239 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 136 4.499 3.251 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.360 4.560 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.856 4.910 2.823 1.00 0.00 H new ATOM 933 N ASN A 137 1.805 5.640 -1.634 1.00 0.00 N ATOM 934 CA ASN A 137 0.442 5.735 -2.220 1.00 0.00 C ATOM 935 C ASN A 137 -0.025 4.356 -2.671 1.00 0.00 C ATOM 936 O ASN A 137 0.537 3.351 -2.299 1.00 0.00 O ATOM 937 CB ASN A 137 0.458 6.702 -3.403 1.00 0.00 C ATOM 938 CG ASN A 137 1.703 6.456 -4.258 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.615 5.695 -5.315 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 2.767 6.963 -3.963 1.00 0.00 N flip ATOM 0 H ASN A 137 2.566 5.899 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.250 6.110 -1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.440 6.568 -4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.450 7.731 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.837 7.558 -3.137 1.00 0.00 H new ATOM 0 HD22 ASN A 137 3.590 6.794 -4.541 1.00 0.00 H new ATOM 947 N TYR A 138 -1.064 4.306 -3.450 1.00 0.00 N ATOM 948 CA TYR A 138 -1.595 3.000 -3.905 1.00 0.00 C ATOM 949 C TYR A 138 -0.874 2.596 -5.176 1.00 0.00 C ATOM 950 O TYR A 138 -0.570 1.444 -5.400 1.00 0.00 O ATOM 951 CB TYR A 138 -3.081 3.141 -4.216 1.00 0.00 C ATOM 952 CG TYR A 138 -3.863 3.481 -2.965 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.417 4.468 -2.067 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.056 2.807 -2.714 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.164 4.768 -0.930 1.00 0.00 C ATOM 956 CE2 TYR A 138 -5.803 3.111 -1.574 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.355 4.089 -0.684 1.00 0.00 C ATOM 958 OH TYR A 138 -6.088 4.385 0.435 1.00 0.00 O ATOM 0 H TYR A 138 -1.571 5.122 -3.793 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.446 2.251 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.228 3.919 -4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.457 2.212 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.494 4.994 -2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.403 2.049 -3.401 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.820 5.525 -0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -6.728 2.589 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.483 4.559 1.186 1.00 0.00 H new ATOM 968 N GLU A 139 -0.618 3.545 -6.017 1.00 0.00 N ATOM 969 CA GLU A 139 0.069 3.239 -7.292 1.00 0.00 C ATOM 970 C GLU A 139 1.384 2.513 -6.995 1.00 0.00 C ATOM 971 O GLU A 139 1.831 1.676 -7.754 1.00 0.00 O ATOM 972 CB GLU A 139 0.359 4.533 -8.059 1.00 0.00 C ATOM 973 CG GLU A 139 -0.789 5.525 -7.855 1.00 0.00 C ATOM 974 CD GLU A 139 -0.840 6.498 -9.035 1.00 0.00 C ATOM 975 OE1 GLU A 139 0.134 7.204 -9.238 1.00 0.00 O ATOM 976 OE2 GLU A 139 -1.852 6.519 -9.715 1.00 0.00 O ATOM 0 H GLU A 139 -0.856 4.527 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.573 2.604 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.295 4.970 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.482 4.318 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.735 4.990 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.648 6.074 -6.924 1.00 0.00 H new ATOM 983 N GLU A 140 2.003 2.824 -5.889 1.00 0.00 N ATOM 984 CA GLU A 140 3.283 2.148 -5.530 1.00 0.00 C ATOM 985 C GLU A 140 2.979 1.053 -4.508 1.00 0.00 C ATOM 986 O GLU A 140 3.612 0.017 -4.479 1.00 0.00 O ATOM 987 CB GLU A 140 4.249 3.166 -4.921 1.00 0.00 C ATOM 988 CG GLU A 140 4.875 4.006 -6.036 1.00 0.00 C ATOM 989 CD GLU A 140 5.915 3.169 -6.785 1.00 0.00 C ATOM 990 OE1 GLU A 140 6.266 2.113 -6.285 1.00 0.00 O ATOM 991 OE2 GLU A 140 6.342 3.598 -7.843 1.00 0.00 O ATOM 0 H GLU A 140 1.677 3.519 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 140 3.741 1.715 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.720 3.811 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 140 5.028 2.652 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 140 4.103 4.348 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.343 4.896 -5.616 1.00 0.00 H new ATOM 998 N PHE A 141 1.997 1.279 -3.679 1.00 0.00 N ATOM 999 CA PHE A 141 1.618 0.260 -2.661 1.00 0.00 C ATOM 1000 C PHE A 141 0.960 -0.922 -3.374 1.00 0.00 C ATOM 1001 O PHE A 141 0.706 -1.954 -2.785 1.00 0.00 O ATOM 1002 CB PHE A 141 0.630 0.895 -1.682 1.00 0.00 C ATOM 1003 CG PHE A 141 0.143 -0.120 -0.683 1.00 0.00 C ATOM 1004 CD1 PHE A 141 1.055 -0.934 -0.008 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.227 -0.226 -0.412 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.597 -1.859 0.936 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.683 -1.145 0.537 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.771 -1.962 1.210 1.00 0.00 C ATOM 0 H PHE A 141 1.438 2.132 -3.664 1.00 0.00 H new ATOM 0 HA PHE A 141 2.496 -0.089 -2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 141 1.109 1.724 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.217 1.309 -2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.112 -0.850 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.931 0.403 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.300 -2.494 1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.739 -1.224 0.750 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.122 -2.674 1.942 1.00 0.00 H new ATOM 1018 N VAL A 142 0.692 -0.784 -4.649 1.00 0.00 N ATOM 1019 CA VAL A 142 0.066 -1.903 -5.402 1.00 0.00 C ATOM 1020 C VAL A 142 1.119 -2.983 -5.629 1.00 0.00 C ATOM 1021 O VAL A 142 0.811 -4.121 -5.923 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.468 -1.401 -6.748 1.00 0.00 C ATOM 1023 CG1 VAL A 142 0.608 -0.582 -7.462 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -0.855 -2.598 -7.619 1.00 0.00 C ATOM 0 H VAL A 142 0.881 0.056 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.769 -2.310 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.342 -0.773 -6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.222 -0.228 -8.418 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.885 0.272 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.486 -1.205 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.235 -2.243 -8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.021 -3.225 -7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.627 -3.180 -7.115 1.00 0.00 H new ATOM 1034 N GLN A 143 2.362 -2.633 -5.462 1.00 0.00 N ATOM 1035 CA GLN A 143 3.453 -3.629 -5.626 1.00 0.00 C ATOM 1036 C GLN A 143 3.627 -4.328 -4.284 1.00 0.00 C ATOM 1037 O GLN A 143 4.047 -5.465 -4.198 1.00 0.00 O ATOM 1038 CB GLN A 143 4.747 -2.912 -6.014 1.00 0.00 C ATOM 1039 CG GLN A 143 5.776 -3.932 -6.504 1.00 0.00 C ATOM 1040 CD GLN A 143 7.083 -3.213 -6.851 1.00 0.00 C ATOM 1041 OE1 GLN A 143 7.069 -1.927 -7.085 1.00 0.00 O flip ATOM 1042 NE2 GLN A 143 8.129 -3.829 -6.910 1.00 0.00 N flip ATOM 0 H GLN A 143 2.671 -1.692 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 143 3.213 -4.350 -6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.547 -2.179 -6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.142 -2.366 -5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.955 -4.683 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.394 -4.458 -7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.141 -4.832 -6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.995 -3.342 -7.142 1.00 0.00 H new ATOM 1051 N MET A 144 3.277 -3.640 -3.235 1.00 0.00 N ATOM 1052 CA MET A 144 3.373 -4.219 -1.871 1.00 0.00 C ATOM 1053 C MET A 144 2.322 -5.306 -1.738 1.00 0.00 C ATOM 1054 O MET A 144 2.542 -6.345 -1.147 1.00 0.00 O ATOM 1055 CB MET A 144 3.057 -3.125 -0.854 1.00 0.00 C ATOM 1056 CG MET A 144 4.294 -2.279 -0.560 1.00 0.00 C ATOM 1057 SD MET A 144 5.224 -1.948 -2.082 1.00 0.00 S ATOM 1058 CE MET A 144 6.325 -3.382 -1.994 1.00 0.00 C ATOM 0 H MET A 144 2.922 -2.684 -3.268 1.00 0.00 H new ATOM 0 HA MET A 144 4.371 -4.623 -1.700 1.00 0.00 H new ATOM 0 HB2 MET A 144 2.259 -2.488 -1.235 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.692 -3.576 0.069 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.995 -1.338 -0.099 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.932 -2.796 0.156 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.361 -3.044 -1.968 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.107 -3.953 -1.092 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.171 -4.013 -2.869 1.00 0.00 H new ATOM 1068 N MET A 145 1.168 -5.051 -2.275 1.00 0.00 N ATOM 1069 CA MET A 145 0.067 -6.042 -2.181 1.00 0.00 C ATOM 1070 C MET A 145 0.596 -7.423 -2.577 1.00 0.00 C ATOM 1071 O MET A 145 0.275 -8.422 -1.965 1.00 0.00 O ATOM 1072 CB MET A 145 -1.093 -5.661 -3.118 1.00 0.00 C ATOM 1073 CG MET A 145 -1.180 -4.141 -3.296 1.00 0.00 C ATOM 1074 SD MET A 145 -2.703 -3.722 -4.187 1.00 0.00 S ATOM 1075 CE MET A 145 -2.749 -1.958 -3.778 1.00 0.00 C ATOM 0 H MET A 145 0.938 -4.194 -2.778 1.00 0.00 H new ATOM 0 HA MET A 145 -0.301 -6.057 -1.155 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.952 -6.137 -4.089 1.00 0.00 H new ATOM 0 HB3 MET A 145 -2.032 -6.037 -2.712 1.00 0.00 H new ATOM 0 HG2 MET A 145 -1.168 -3.649 -2.323 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.312 -3.779 -3.847 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.764 -1.675 -3.500 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.076 -1.760 -2.944 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.434 -1.375 -4.644 1.00 0.00 H new ATOM 1085 N THR A 146 1.401 -7.486 -3.604 1.00 0.00 N ATOM 1086 CA THR A 146 1.946 -8.802 -4.045 1.00 0.00 C ATOM 1087 C THR A 146 3.475 -8.780 -3.969 1.00 0.00 C ATOM 1088 O THR A 146 4.156 -9.231 -4.868 1.00 0.00 O ATOM 1089 CB THR A 146 1.514 -9.072 -5.489 1.00 0.00 C ATOM 1090 OG1 THR A 146 2.268 -10.157 -6.011 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.758 -7.824 -6.339 1.00 0.00 C ATOM 0 H THR A 146 1.704 -6.684 -4.156 1.00 0.00 H new ATOM 0 HA THR A 146 1.563 -9.588 -3.393 1.00 0.00 H new ATOM 0 HB THR A 146 0.453 -9.321 -5.511 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.208 -9.892 -6.094 1.00 0.00 H new ATOM 0 HG21 THR A 146 1.450 -8.018 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 146 1.180 -6.992 -5.938 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.818 -7.572 -6.319 1.00 0.00 H new ATOM 1099 N ALA A 147 4.020 -8.264 -2.903 1.00 0.00 N ATOM 1100 CA ALA A 147 5.503 -8.220 -2.771 1.00 0.00 C ATOM 1101 C ALA A 147 6.024 -9.616 -2.427 1.00 0.00 C ATOM 1102 O ALA A 147 6.519 -10.332 -3.275 1.00 0.00 O ATOM 1103 CB ALA A 147 5.888 -7.243 -1.658 1.00 0.00 C ATOM 0 H ALA A 147 3.502 -7.871 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 147 5.942 -7.889 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 147 6.973 -7.211 -1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 147 5.516 -6.248 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.450 -7.573 -0.716 1.00 0.00 H new ATOM 1109 N LYS A 148 5.918 -10.011 -1.187 1.00 0.00 N ATOM 1110 CA LYS A 148 6.406 -11.362 -0.790 1.00 0.00 C ATOM 1111 C LYS A 148 5.802 -11.744 0.563 1.00 0.00 C ATOM 1112 O LYS A 148 5.987 -10.992 1.506 1.00 0.00 O ATOM 1113 CB LYS A 148 7.931 -11.341 -0.680 1.00 0.00 C ATOM 1114 CG LYS A 148 8.344 -10.525 0.545 1.00 0.00 C ATOM 1115 CD LYS A 148 9.806 -10.097 0.405 1.00 0.00 C ATOM 1116 CE LYS A 148 9.945 -9.135 -0.776 1.00 0.00 C ATOM 1117 NZ LYS A 148 10.603 -9.837 -1.913 1.00 0.00 N ATOM 1118 OXT LYS A 148 5.165 -12.783 0.633 1.00 0.00 O ATOM 0 H LYS A 148 5.515 -9.456 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 148 6.106 -12.093 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.314 -12.358 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.365 -10.908 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 148 7.705 -9.647 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 148 8.213 -11.117 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.144 -9.615 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 148 10.439 -10.971 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 148 8.964 -8.770 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 148 10.532 -8.265 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 10.170 -9.531 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 11.617 -9.607 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 10.482 -10.864 -1.804 1.00 0.00 H new TER 1132 LYS A 148