USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 hydrogens (12 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 Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 2.11 (180deg=2.02) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -71:sc= -0.36 USER MOD Single : A 103 MET CE :methyl 143:sc= -0.325 (180deg=-1.49) USER MOD Single : A 106 LYS NZ :NH3+ 158:sc= 0.919 (180deg=0.0888) USER MOD Single : A 107 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.4!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 140:sc= 0.387 (180deg=0.113) USER MOD Single : A 120 MET CE :methyl -137:sc= -3.56! (180deg=-7.76!) USER MOD Single : A 122 GLN : amide:sc= -0.0575 X(o=-0.058,f=-0.071) USER MOD Single : A 124 THR OG1 : rot 20:sc= 0.83 USER MOD Single : A 127 THR OG1 : rot -59:sc= 0.223 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -132:sc= -1.12 (180deg=-4.5!) USER MOD Single : A 138 LYS NZ :NH3+ -163:sc= -1.57! (180deg=-1.86!) USER MOD Single : A 142 LYS NZ :NH3+ -127:sc= 0.745 (180deg=0.578) USER MOD Single : A 143 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.3!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 160:sc= 0.896 USER MOD Single : A 157 MET CE :methyl 149:sc= -0.322 (180deg=-1.61!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 STL O1 : rot 180:sc= -0.067 USER MOD Single : A 162 STL O2 : rot 180:sc= 0 USER MOD Single : A 162 STL O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 12.852 6.735 3.909 1.00 2.87 N ATOM 2 CA MET A 90 12.149 7.696 3.000 1.00 2.20 C ATOM 3 C MET A 90 11.314 6.936 1.958 1.00 1.76 C ATOM 4 O MET A 90 11.827 6.109 1.228 1.00 2.23 O ATOM 5 CB MET A 90 13.264 8.489 2.308 1.00 2.68 C ATOM 6 CG MET A 90 13.793 9.574 3.249 1.00 3.11 C ATOM 7 SD MET A 90 13.867 11.155 2.366 1.00 4.08 S ATOM 8 CE MET A 90 14.953 12.023 3.528 1.00 4.71 C ATOM 0 HA MET A 90 11.465 8.344 3.548 1.00 2.20 H new ATOM 0 HB2 MET A 90 14.074 7.819 2.020 1.00 2.68 H new ATOM 0 HB3 MET A 90 12.885 8.943 1.392 1.00 2.68 H new ATOM 0 HG2 MET A 90 13.145 9.662 4.121 1.00 3.11 H new ATOM 0 HG3 MET A 90 14.783 9.302 3.614 1.00 3.11 H new ATOM 0 HE1 MET A 90 15.133 13.037 3.170 1.00 4.71 H new ATOM 0 HE2 MET A 90 14.479 12.063 4.509 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.902 11.492 3.605 1.00 4.71 H new ATOM 20 N GLY A 91 10.033 7.217 1.882 1.00 1.61 N ATOM 21 CA GLY A 91 9.157 6.522 0.883 1.00 1.31 C ATOM 22 C GLY A 91 8.979 5.054 1.278 1.00 1.37 C ATOM 23 O GLY A 91 9.577 4.171 0.695 1.00 1.61 O ATOM 0 H GLY A 91 9.556 7.900 2.471 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.186 7.014 0.833 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.600 6.589 -0.111 1.00 1.31 H new ATOM 27 N LYS A 92 8.163 4.792 2.268 1.00 1.27 N ATOM 28 CA LYS A 92 7.947 3.381 2.714 1.00 1.47 C ATOM 29 C LYS A 92 6.503 3.188 3.203 1.00 1.40 C ATOM 30 O LYS A 92 5.722 2.485 2.592 1.00 1.56 O ATOM 31 CB LYS A 92 8.943 3.197 3.860 1.00 1.61 C ATOM 32 CG LYS A 92 8.931 1.744 4.340 1.00 1.94 C ATOM 33 CD LYS A 92 9.842 1.604 5.564 1.00 2.31 C ATOM 34 CE LYS A 92 8.994 1.448 6.832 1.00 2.59 C ATOM 35 NZ LYS A 92 9.325 2.633 7.676 1.00 3.20 N1+ ATOM 0 H LYS A 92 7.637 5.495 2.787 1.00 1.27 H new ATOM 0 HA LYS A 92 8.097 2.656 1.914 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.945 3.470 3.529 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.687 3.863 4.685 1.00 1.61 H new ATOM 0 HG2 LYS A 92 7.915 1.442 4.593 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.271 1.083 3.543 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.495 0.740 5.445 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.485 2.480 5.652 1.00 2.31 H new ATOM 0 HE2 LYS A 92 7.931 1.420 6.593 1.00 2.59 H new ATOM 0 HE3 LYS A 92 9.229 0.518 7.350 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 8.685 2.665 8.495 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.308 2.560 8.007 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 9.213 3.501 7.115 1.00 3.20 H new ATOM 49 N SER A 93 6.150 3.810 4.302 1.00 1.38 N ATOM 50 CA SER A 93 4.763 3.675 4.847 1.00 1.40 C ATOM 51 C SER A 93 4.276 5.031 5.370 1.00 1.20 C ATOM 52 O SER A 93 4.918 6.043 5.165 1.00 1.08 O ATOM 53 CB SER A 93 4.892 2.672 5.994 1.00 1.60 C ATOM 54 OG SER A 93 3.711 1.886 6.072 1.00 2.20 O ATOM 0 H SER A 93 6.768 4.410 4.848 1.00 1.38 H new ATOM 0 HA SER A 93 4.046 3.345 4.095 1.00 1.40 H new ATOM 0 HB2 SER A 93 5.759 2.030 5.834 1.00 1.60 H new ATOM 0 HB3 SER A 93 5.054 3.198 6.935 1.00 1.60 H new ATOM 0 HG SER A 93 3.794 1.242 6.806 1.00 2.20 H new ATOM 60 N GLU A 94 3.151 5.062 6.044 1.00 1.26 N ATOM 61 CA GLU A 94 2.625 6.362 6.579 1.00 1.17 C ATOM 62 C GLU A 94 3.674 7.084 7.447 1.00 1.12 C ATOM 63 O GLU A 94 3.616 8.288 7.612 1.00 1.09 O ATOM 64 CB GLU A 94 1.393 5.994 7.408 1.00 1.33 C ATOM 65 CG GLU A 94 0.133 6.372 6.620 1.00 1.28 C ATOM 66 CD GLU A 94 -0.155 7.866 6.789 1.00 1.44 C ATOM 67 OE1 GLU A 94 0.491 8.654 6.118 1.00 1.94 O ATOM 68 OE2 GLU A 94 -1.017 8.196 7.585 1.00 2.09 O ATOM 0 H GLU A 94 2.574 4.246 6.247 1.00 1.26 H new ATOM 0 HA GLU A 94 2.381 7.051 5.771 1.00 1.17 H new ATOM 0 HB2 GLU A 94 1.393 4.927 7.630 1.00 1.33 H new ATOM 0 HB3 GLU A 94 1.411 6.518 8.364 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.268 6.135 5.565 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.716 5.786 6.972 1.00 1.28 H new ATOM 75 N GLU A 95 4.634 6.365 7.993 1.00 1.19 N ATOM 76 CA GLU A 95 5.689 7.020 8.837 1.00 1.23 C ATOM 77 C GLU A 95 6.366 8.158 8.052 1.00 1.03 C ATOM 78 O GLU A 95 6.206 9.320 8.372 1.00 1.01 O ATOM 79 CB GLU A 95 6.702 5.914 9.154 1.00 1.45 C ATOM 80 CG GLU A 95 6.057 4.856 10.057 1.00 1.90 C ATOM 81 CD GLU A 95 6.547 3.465 9.649 1.00 2.12 C ATOM 82 OE1 GLU A 95 7.682 3.140 9.958 1.00 2.49 O ATOM 83 OE2 GLU A 95 5.781 2.748 9.028 1.00 2.66 O ATOM 0 H GLU A 95 4.731 5.355 7.890 1.00 1.19 H new ATOM 0 HA GLU A 95 5.272 7.458 9.744 1.00 1.23 H new ATOM 0 HB2 GLU A 95 7.050 5.452 8.230 1.00 1.45 H new ATOM 0 HB3 GLU A 95 7.576 6.340 9.646 1.00 1.45 H new ATOM 0 HG2 GLU A 95 6.309 5.050 11.099 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.971 4.908 9.977 1.00 1.90 H new ATOM 90 N GLU A 96 7.107 7.829 7.019 1.00 1.02 N ATOM 91 CA GLU A 96 7.781 8.892 6.202 1.00 0.94 C ATOM 92 C GLU A 96 6.766 9.554 5.261 1.00 0.79 C ATOM 93 O GLU A 96 6.934 10.688 4.857 1.00 0.82 O ATOM 94 CB GLU A 96 8.860 8.169 5.387 1.00 1.15 C ATOM 95 CG GLU A 96 9.814 7.419 6.322 1.00 1.62 C ATOM 96 CD GLU A 96 9.803 5.931 5.971 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.989 5.216 6.530 1.00 2.78 O ATOM 98 OE2 GLU A 96 10.608 5.532 5.145 1.00 2.18 O ATOM 0 H GLU A 96 7.274 6.873 6.706 1.00 1.02 H new ATOM 0 HA GLU A 96 8.207 9.675 6.830 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.394 7.469 4.693 1.00 1.15 H new ATOM 0 HB3 GLU A 96 9.417 8.889 4.788 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.823 7.819 6.227 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.511 7.562 7.359 1.00 1.62 H new ATOM 105 N LEU A 97 5.715 8.845 4.913 1.00 0.77 N ATOM 106 CA LEU A 97 4.669 9.411 3.999 1.00 0.71 C ATOM 107 C LEU A 97 4.193 10.776 4.509 1.00 0.67 C ATOM 108 O LEU A 97 4.089 11.727 3.756 1.00 0.75 O ATOM 109 CB LEU A 97 3.516 8.400 4.049 1.00 0.80 C ATOM 110 CG LEU A 97 3.545 7.453 2.838 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.750 8.077 1.692 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.990 7.188 2.384 1.00 1.22 C ATOM 0 H LEU A 97 5.537 7.891 5.226 1.00 0.77 H new ATOM 0 HA LEU A 97 5.047 9.562 2.988 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.580 7.819 4.969 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.565 8.932 4.074 1.00 0.80 H new ATOM 0 HG LEU A 97 3.098 6.502 3.126 1.00 0.77 H new ATOM 0 HD11 LEU A 97 2.768 7.409 0.831 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.719 8.234 2.008 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.196 9.033 1.418 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.984 6.516 1.526 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.462 8.130 2.104 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.550 6.731 3.200 1.00 1.22 H new ATOM 124 N SER A 98 3.907 10.875 5.785 1.00 0.69 N ATOM 125 CA SER A 98 3.439 12.176 6.355 1.00 0.76 C ATOM 126 C SER A 98 4.551 13.230 6.260 1.00 0.72 C ATOM 127 O SER A 98 4.321 14.340 5.816 1.00 0.77 O ATOM 128 CB SER A 98 3.089 11.876 7.817 1.00 0.92 C ATOM 129 OG SER A 98 4.262 11.487 8.522 1.00 1.57 O ATOM 0 H SER A 98 3.978 10.110 6.456 1.00 0.69 H new ATOM 0 HA SER A 98 2.582 12.577 5.814 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.648 12.757 8.283 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.343 11.082 7.867 1.00 0.92 H new ATOM 0 HG SER A 98 4.540 10.594 8.228 1.00 1.57 H new ATOM 135 N ASP A 99 5.752 12.887 6.667 1.00 0.80 N ATOM 136 CA ASP A 99 6.888 13.862 6.597 1.00 0.86 C ATOM 137 C ASP A 99 7.130 14.296 5.144 1.00 0.81 C ATOM 138 O ASP A 99 7.390 15.452 4.873 1.00 0.91 O ATOM 139 CB ASP A 99 8.103 13.109 7.149 1.00 1.02 C ATOM 140 CG ASP A 99 8.061 13.121 8.678 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.560 14.072 9.255 1.00 1.79 O ATOM 142 OD2 ASP A 99 7.524 12.185 9.244 1.00 1.83 O ATOM 0 H ASP A 99 5.994 11.971 7.045 1.00 0.80 H new ATOM 0 HA ASP A 99 6.685 14.769 7.166 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.105 12.082 6.783 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.023 13.575 6.796 1.00 1.02 H new ATOM 147 N LEU A 100 7.029 13.384 4.208 1.00 0.75 N ATOM 148 CA LEU A 100 7.232 13.753 2.770 1.00 0.76 C ATOM 149 C LEU A 100 6.259 14.873 2.367 1.00 0.68 C ATOM 150 O LEU A 100 6.523 15.637 1.461 1.00 0.79 O ATOM 151 CB LEU A 100 6.933 12.474 1.982 1.00 0.86 C ATOM 152 CG LEU A 100 8.106 12.157 1.051 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.588 10.730 1.309 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.659 12.283 -0.409 1.00 1.41 C ATOM 0 H LEU A 100 6.815 12.401 4.376 1.00 0.75 H new ATOM 0 HA LEU A 100 8.240 14.122 2.579 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.765 11.643 2.668 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.019 12.598 1.402 1.00 0.86 H new ATOM 0 HG LEU A 100 8.916 12.860 1.243 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.423 10.503 0.647 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.911 10.637 2.346 1.00 1.41 H new ATOM 0 HD13 LEU A 100 7.774 10.031 1.119 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.498 12.056 -1.067 1.00 1.41 H new ATOM 0 HD22 LEU A 100 6.846 11.583 -0.602 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.314 13.300 -0.598 1.00 1.41 H new ATOM 166 N PHE A 101 5.134 14.970 3.035 1.00 0.60 N ATOM 167 CA PHE A 101 4.142 16.038 2.703 1.00 0.59 C ATOM 168 C PHE A 101 4.336 17.279 3.601 1.00 0.60 C ATOM 169 O PHE A 101 4.492 18.382 3.114 1.00 0.72 O ATOM 170 CB PHE A 101 2.776 15.396 2.954 1.00 0.61 C ATOM 171 CG PHE A 101 1.692 16.248 2.338 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.424 16.156 0.969 1.00 0.68 C ATOM 173 CD2 PHE A 101 0.955 17.128 3.137 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.418 16.943 0.398 1.00 0.73 C ATOM 175 CE2 PHE A 101 -0.051 17.915 2.568 1.00 0.90 C ATOM 176 CZ PHE A 101 -0.320 17.824 1.198 1.00 0.69 C ATOM 0 H PHE A 101 4.861 14.352 3.799 1.00 0.60 H new ATOM 0 HA PHE A 101 4.252 16.388 1.677 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.751 14.393 2.527 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.604 15.291 4.025 1.00 0.61 H new ATOM 0 HD1 PHE A 101 1.994 15.477 0.352 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.163 17.200 4.194 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.211 16.871 -0.659 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.620 18.593 3.186 1.00 0.90 H new ATOM 0 HZ PHE A 101 -1.096 18.433 0.758 1.00 0.69 H new ATOM 186 N ARG A 102 4.293 17.109 4.907 1.00 0.67 N ATOM 187 CA ARG A 102 4.435 18.286 5.841 1.00 0.76 C ATOM 188 C ARG A 102 5.902 18.667 6.105 1.00 0.68 C ATOM 189 O ARG A 102 6.232 19.834 6.181 1.00 0.78 O ATOM 190 CB ARG A 102 3.741 17.869 7.153 1.00 0.99 C ATOM 191 CG ARG A 102 4.393 16.605 7.741 1.00 1.30 C ATOM 192 CD ARG A 102 5.276 16.980 8.937 1.00 1.45 C ATOM 193 NE ARG A 102 4.838 16.075 10.037 1.00 2.12 N ATOM 194 CZ ARG A 102 5.467 14.952 10.247 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.135 13.885 9.580 1.00 3.07 N ATOM 196 NH2 ARG A 102 6.422 14.901 11.128 1.00 3.37 N1+ ATOM 0 H ARG A 102 4.166 16.208 5.368 1.00 0.67 H new ATOM 0 HA ARG A 102 3.983 19.172 5.395 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.800 18.683 7.875 1.00 0.99 H new ATOM 0 HB3 ARG A 102 2.683 17.684 6.967 1.00 0.99 H new ATOM 0 HG2 ARG A 102 3.623 15.900 8.054 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.991 16.106 6.979 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.332 16.840 8.707 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.146 18.027 9.211 1.00 1.45 H new ATOM 0 HE ARG A 102 4.046 16.334 10.626 1.00 2.12 H new ATOM 0 HH11 ARG A 102 4.383 13.927 8.893 1.00 3.07 H new ATOM 0 HH12 ARG A 102 5.627 13.007 9.745 1.00 3.07 H new ATOM 0 HH21 ARG A 102 6.677 15.738 11.652 1.00 3.37 H new ATOM 0 HH22 ARG A 102 6.916 14.024 11.295 1.00 3.37 H new ATOM 210 N MET A 103 6.783 17.709 6.255 1.00 0.71 N ATOM 211 CA MET A 103 8.220 18.046 6.524 1.00 0.75 C ATOM 212 C MET A 103 8.925 18.514 5.239 1.00 0.68 C ATOM 213 O MET A 103 10.024 19.035 5.286 1.00 0.83 O ATOM 214 CB MET A 103 8.845 16.745 7.038 1.00 0.93 C ATOM 215 CG MET A 103 10.048 17.064 7.929 1.00 1.27 C ATOM 216 SD MET A 103 11.523 16.246 7.270 1.00 1.82 S ATOM 217 CE MET A 103 12.448 17.748 6.866 1.00 2.43 C ATOM 0 H MET A 103 6.573 16.712 6.204 1.00 0.71 H new ATOM 0 HA MET A 103 8.317 18.860 7.242 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.106 16.173 7.600 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.157 16.124 6.198 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.206 18.142 7.973 1.00 1.27 H new ATOM 0 HG3 MET A 103 9.858 16.728 8.948 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.507 17.590 7.072 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.315 17.984 5.810 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.080 18.576 7.472 1.00 2.43 H new ATOM 227 N PHE A 104 8.310 18.326 4.096 1.00 0.68 N ATOM 228 CA PHE A 104 8.951 18.749 2.811 1.00 0.79 C ATOM 229 C PHE A 104 8.467 20.139 2.380 1.00 0.71 C ATOM 230 O PHE A 104 9.225 20.924 1.845 1.00 0.88 O ATOM 231 CB PHE A 104 8.499 17.700 1.792 1.00 0.94 C ATOM 232 CG PHE A 104 9.472 16.541 1.754 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.187 16.176 2.903 1.00 2.03 C ATOM 234 CD2 PHE A 104 9.658 15.833 0.563 1.00 1.26 C ATOM 235 CE1 PHE A 104 11.087 15.105 2.858 1.00 2.65 C ATOM 236 CE2 PHE A 104 10.559 14.762 0.518 1.00 1.86 C ATOM 237 CZ PHE A 104 11.274 14.398 1.665 1.00 2.56 C ATOM 0 H PHE A 104 7.390 17.897 3.998 1.00 0.68 H new ATOM 0 HA PHE A 104 10.035 18.813 2.903 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.504 17.338 2.051 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.426 18.153 0.803 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.043 16.722 3.824 1.00 2.03 H new ATOM 0 HD2 PHE A 104 9.107 16.112 -0.323 1.00 1.26 H new ATOM 0 HE1 PHE A 104 11.637 14.824 3.744 1.00 2.65 H new ATOM 0 HE2 PHE A 104 10.702 14.216 -0.403 1.00 1.86 H new ATOM 0 HZ PHE A 104 11.969 13.572 1.629 1.00 2.56 H new ATOM 247 N ASP A 105 7.208 20.436 2.589 1.00 0.61 N ATOM 248 CA ASP A 105 6.656 21.764 2.170 1.00 0.60 C ATOM 249 C ASP A 105 7.488 22.928 2.726 1.00 0.56 C ATOM 250 O ASP A 105 7.429 23.247 3.900 1.00 0.63 O ATOM 251 CB ASP A 105 5.229 21.799 2.735 1.00 0.68 C ATOM 252 CG ASP A 105 4.395 22.843 1.985 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.780 23.998 1.983 1.00 1.45 O ATOM 254 OD2 ASP A 105 3.379 22.472 1.429 1.00 0.84 O ATOM 0 H ASP A 105 6.534 19.813 3.034 1.00 0.61 H new ATOM 0 HA ASP A 105 6.676 21.877 1.086 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.767 20.816 2.641 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.256 22.038 3.798 1.00 0.68 H new ATOM 259 N LYS A 106 8.242 23.579 1.871 1.00 0.59 N ATOM 260 CA LYS A 106 9.064 24.748 2.323 1.00 0.66 C ATOM 261 C LYS A 106 8.150 25.952 2.608 1.00 0.55 C ATOM 262 O LYS A 106 8.542 26.889 3.276 1.00 0.63 O ATOM 263 CB LYS A 106 10.029 25.057 1.166 1.00 0.87 C ATOM 264 CG LYS A 106 9.243 25.473 -0.083 1.00 1.21 C ATOM 265 CD LYS A 106 9.832 26.765 -0.657 1.00 1.61 C ATOM 266 CE LYS A 106 9.100 27.135 -1.950 1.00 1.77 C ATOM 267 NZ LYS A 106 9.872 28.276 -2.521 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.324 23.351 0.880 1.00 0.59 H new ATOM 0 HA LYS A 106 9.609 24.532 3.242 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.713 25.855 1.456 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.637 24.180 0.946 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.283 24.680 -0.830 1.00 1.21 H new ATOM 0 HG3 LYS A 106 8.193 25.621 0.169 1.00 1.21 H new ATOM 0 HD2 LYS A 106 9.739 27.573 0.069 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.896 26.635 -0.854 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.072 26.293 -2.642 1.00 1.77 H new ATOM 0 HE3 LYS A 106 8.067 27.419 -1.751 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 9.685 28.345 -3.542 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 9.582 29.159 -2.055 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 10.888 28.120 -2.365 1.00 2.14 H new ATOM 281 N ASN A 107 6.933 25.926 2.112 1.00 0.48 N ATOM 282 CA ASN A 107 5.992 27.057 2.361 1.00 0.50 C ATOM 283 C ASN A 107 5.290 26.874 3.720 1.00 0.58 C ATOM 284 O ASN A 107 4.863 27.830 4.339 1.00 0.70 O ATOM 285 CB ASN A 107 4.977 26.967 1.220 1.00 0.54 C ATOM 286 CG ASN A 107 4.761 28.340 0.577 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.576 29.229 0.712 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.684 28.547 -0.131 1.00 0.78 N ATOM 0 H ASN A 107 6.555 25.167 1.545 1.00 0.48 H new ATOM 0 HA ASN A 107 6.496 28.023 2.393 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.329 26.260 0.469 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.029 26.584 1.599 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.529 29.455 -0.570 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.998 27.801 -0.246 1.00 0.78 H new ATOM 295 N ALA A 108 5.195 25.647 4.191 1.00 0.65 N ATOM 296 CA ALA A 108 4.554 25.359 5.515 1.00 0.84 C ATOM 297 C ALA A 108 3.115 25.907 5.605 1.00 0.78 C ATOM 298 O ALA A 108 2.797 26.692 6.480 1.00 0.96 O ATOM 299 CB ALA A 108 5.466 26.035 6.546 1.00 1.03 C ATOM 0 H ALA A 108 5.542 24.821 3.703 1.00 0.65 H new ATOM 0 HA ALA A 108 4.457 24.286 5.681 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.067 25.872 7.547 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.467 25.609 6.481 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.513 27.105 6.344 1.00 1.03 H new ATOM 305 N ASP A 109 2.234 25.479 4.727 1.00 0.73 N ATOM 306 CA ASP A 109 0.812 25.959 4.795 1.00 0.74 C ATOM 307 C ASP A 109 -0.187 24.782 4.726 1.00 0.78 C ATOM 308 O ASP A 109 -1.386 24.988 4.766 1.00 0.96 O ATOM 309 CB ASP A 109 0.620 26.917 3.604 1.00 0.72 C ATOM 310 CG ASP A 109 1.145 26.306 2.301 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.960 25.119 2.096 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.714 27.046 1.519 1.00 1.95 O ATOM 0 H ASP A 109 2.436 24.823 3.972 1.00 0.73 H new ATOM 0 HA ASP A 109 0.619 26.463 5.742 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.438 27.156 3.495 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.139 27.855 3.803 1.00 0.72 H new ATOM 317 N GLY A 110 0.285 23.554 4.640 1.00 0.76 N ATOM 318 CA GLY A 110 -0.654 22.388 4.592 1.00 0.85 C ATOM 319 C GLY A 110 -0.816 21.850 3.159 1.00 0.70 C ATOM 320 O GLY A 110 -1.285 20.744 2.970 1.00 0.73 O ATOM 0 H GLY A 110 1.276 23.314 4.601 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.282 21.594 5.240 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.627 22.687 4.981 1.00 0.85 H new ATOM 324 N TYR A 111 -0.457 22.610 2.150 1.00 0.68 N ATOM 325 CA TYR A 111 -0.622 22.114 0.744 1.00 0.60 C ATOM 326 C TYR A 111 0.673 22.304 -0.055 1.00 0.58 C ATOM 327 O TYR A 111 1.184 23.398 -0.153 1.00 0.83 O ATOM 328 CB TYR A 111 -1.733 22.983 0.149 1.00 0.68 C ATOM 329 CG TYR A 111 -3.046 22.697 0.839 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.354 23.329 2.052 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.959 21.811 0.260 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.577 23.071 2.682 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.182 21.557 0.888 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.492 22.185 2.100 1.00 0.80 C ATOM 335 OH TYR A 111 -6.702 21.938 2.720 1.00 0.90 O ATOM 0 H TYR A 111 -0.060 23.545 2.237 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.860 21.051 0.715 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.478 24.037 0.259 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.825 22.787 -0.919 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.649 24.014 2.500 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.720 21.322 -0.673 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.815 23.555 3.617 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.888 20.875 0.437 1.00 0.83 H new ATOM 0 HH TYR A 111 -7.220 21.301 2.185 1.00 0.90 H new ATOM 345 N ILE A 112 1.199 21.256 -0.640 1.00 0.50 N ATOM 346 CA ILE A 112 2.458 21.404 -1.440 1.00 0.50 C ATOM 347 C ILE A 112 2.150 22.109 -2.772 1.00 0.49 C ATOM 348 O ILE A 112 1.139 21.855 -3.397 1.00 0.66 O ATOM 349 CB ILE A 112 2.969 19.973 -1.671 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.551 19.428 -0.355 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.055 19.988 -2.752 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.311 18.118 -0.605 1.00 0.66 C ATOM 0 H ILE A 112 0.816 20.311 -0.600 1.00 0.50 H new ATOM 0 HA ILE A 112 3.207 22.009 -0.929 1.00 0.50 H new ATOM 0 HB ILE A 112 2.148 19.335 -1.998 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.221 20.166 0.086 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.748 19.258 0.362 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.418 18.974 -2.917 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.639 20.380 -3.680 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.881 20.621 -2.429 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.716 17.747 0.337 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.631 17.377 -1.025 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.127 18.299 -1.305 1.00 0.66 H new ATOM 364 N ASP A 113 3.016 22.995 -3.203 1.00 0.47 N ATOM 365 CA ASP A 113 2.780 23.722 -4.488 1.00 0.50 C ATOM 366 C ASP A 113 3.843 23.323 -5.523 1.00 0.50 C ATOM 367 O ASP A 113 4.839 22.704 -5.198 1.00 0.57 O ATOM 368 CB ASP A 113 2.891 25.213 -4.138 1.00 0.60 C ATOM 369 CG ASP A 113 1.703 25.635 -3.266 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.775 25.447 -2.062 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.741 26.143 -3.813 1.00 1.77 O ATOM 0 H ASP A 113 3.878 23.246 -2.718 1.00 0.47 H new ATOM 0 HA ASP A 113 1.809 23.485 -4.924 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.826 25.403 -3.611 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.913 25.809 -5.050 1.00 0.60 H new ATOM 376 N LEU A 114 3.625 23.666 -6.769 1.00 0.52 N ATOM 377 CA LEU A 114 4.600 23.302 -7.853 1.00 0.57 C ATOM 378 C LEU A 114 6.016 23.818 -7.551 1.00 0.63 C ATOM 379 O LEU A 114 6.987 23.107 -7.729 1.00 0.80 O ATOM 380 CB LEU A 114 4.053 23.966 -9.121 1.00 0.62 C ATOM 381 CG LEU A 114 3.384 22.906 -9.997 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.474 23.584 -11.023 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.459 22.097 -10.725 1.00 0.81 C ATOM 0 H LEU A 114 2.808 24.187 -7.087 1.00 0.52 H new ATOM 0 HA LEU A 114 4.690 22.220 -7.950 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.335 24.743 -8.858 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.861 24.451 -9.669 1.00 0.62 H new ATOM 0 HG LEU A 114 2.788 22.242 -9.370 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.999 22.826 -11.645 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.708 24.160 -10.505 1.00 0.91 H new ATOM 0 HD13 LEU A 114 3.066 24.250 -11.651 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.984 21.341 -11.350 1.00 0.81 H new ATOM 0 HD22 LEU A 114 5.055 22.763 -11.350 1.00 0.81 H new ATOM 0 HD23 LEU A 114 5.105 21.610 -9.994 1.00 0.81 H new ATOM 395 N ASP A 115 6.144 25.047 -7.116 1.00 0.61 N ATOM 396 CA ASP A 115 7.504 25.608 -6.824 1.00 0.71 C ATOM 397 C ASP A 115 8.202 24.842 -5.690 1.00 0.65 C ATOM 398 O ASP A 115 9.392 24.602 -5.743 1.00 0.89 O ATOM 399 CB ASP A 115 7.261 27.061 -6.407 1.00 0.80 C ATOM 400 CG ASP A 115 8.600 27.796 -6.307 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.161 28.111 -7.343 1.00 1.76 O ATOM 402 OD2 ASP A 115 9.046 28.025 -5.195 1.00 1.76 O ATOM 0 H ASP A 115 5.368 25.687 -6.950 1.00 0.61 H new ATOM 0 HA ASP A 115 8.156 25.527 -7.694 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.616 27.556 -7.133 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.744 27.093 -5.448 1.00 0.80 H new ATOM 407 N GLU A 116 7.483 24.471 -4.663 1.00 0.51 N ATOM 408 CA GLU A 116 8.124 23.737 -3.524 1.00 0.48 C ATOM 409 C GLU A 116 8.489 22.299 -3.936 1.00 0.49 C ATOM 410 O GLU A 116 9.450 21.739 -3.444 1.00 0.63 O ATOM 411 CB GLU A 116 7.078 23.729 -2.404 1.00 0.48 C ATOM 412 CG GLU A 116 6.615 25.161 -2.104 1.00 0.57 C ATOM 413 CD GLU A 116 5.161 25.154 -1.633 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.677 24.101 -1.253 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.556 26.209 -1.649 1.00 1.19 O ATOM 0 H GLU A 116 6.483 24.642 -4.561 1.00 0.51 H new ATOM 0 HA GLU A 116 9.052 24.215 -3.209 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.225 23.117 -2.697 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.500 23.279 -1.505 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.251 25.605 -1.338 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.713 25.778 -2.997 1.00 0.57 H new ATOM 422 N LEU A 117 7.729 21.699 -4.830 1.00 0.48 N ATOM 423 CA LEU A 117 8.031 20.291 -5.269 1.00 0.52 C ATOM 424 C LEU A 117 9.490 20.149 -5.737 1.00 0.58 C ATOM 425 O LEU A 117 10.219 19.303 -5.253 1.00 0.69 O ATOM 426 CB LEU A 117 7.082 20.006 -6.439 1.00 0.55 C ATOM 427 CG LEU A 117 5.645 19.847 -5.938 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.691 19.973 -7.123 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.464 18.472 -5.289 1.00 0.53 C ATOM 0 H LEU A 117 6.914 22.123 -5.274 1.00 0.48 H new ATOM 0 HA LEU A 117 7.894 19.592 -4.444 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.133 20.820 -7.163 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.395 19.099 -6.956 1.00 0.55 H new ATOM 0 HG LEU A 117 5.432 20.620 -5.199 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.664 19.861 -6.776 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.813 20.952 -7.586 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.914 19.196 -7.854 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.438 18.369 -4.936 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.676 17.693 -6.022 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.149 18.374 -4.447 1.00 0.53 H new ATOM 441 N LYS A 118 9.918 20.957 -6.680 1.00 0.59 N ATOM 442 CA LYS A 118 11.330 20.850 -7.180 1.00 0.69 C ATOM 443 C LYS A 118 12.339 21.218 -6.075 1.00 0.64 C ATOM 444 O LYS A 118 13.409 20.645 -5.996 1.00 0.73 O ATOM 445 CB LYS A 118 11.428 21.822 -8.366 1.00 0.83 C ATOM 446 CG LYS A 118 11.335 23.268 -7.877 1.00 0.99 C ATOM 447 CD LYS A 118 10.943 24.175 -9.042 1.00 1.35 C ATOM 448 CE LYS A 118 10.808 25.614 -8.538 1.00 1.51 C ATOM 449 NZ LYS A 118 10.016 26.324 -9.580 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.355 21.683 -7.124 1.00 0.59 H new ATOM 0 HA LYS A 118 11.570 19.830 -7.481 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.370 21.669 -8.893 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.628 21.620 -9.078 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.598 23.346 -7.077 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.291 23.585 -7.461 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.696 24.122 -9.829 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.002 23.840 -9.478 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.305 25.646 -7.572 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.786 26.077 -8.404 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.340 26.969 -9.123 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.657 26.870 -10.191 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.498 25.630 -10.155 1.00 1.99 H new ATOM 463 N ILE A 119 12.006 22.157 -5.212 1.00 0.68 N ATOM 464 CA ILE A 119 12.954 22.538 -4.111 1.00 0.74 C ATOM 465 C ILE A 119 13.146 21.347 -3.156 1.00 0.75 C ATOM 466 O ILE A 119 14.236 21.104 -2.668 1.00 0.85 O ATOM 467 CB ILE A 119 12.299 23.739 -3.405 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.771 25.036 -4.074 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.693 23.767 -1.923 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.582 25.979 -4.272 1.00 1.06 C ATOM 0 H ILE A 119 11.125 22.671 -5.223 1.00 0.68 H new ATOM 0 HA ILE A 119 13.945 22.801 -4.479 1.00 0.74 H new ATOM 0 HB ILE A 119 11.216 23.647 -3.483 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.531 25.518 -3.459 1.00 1.22 H new ATOM 0 HG13 ILE A 119 13.234 24.813 -5.035 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.222 24.622 -1.437 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.361 22.848 -1.441 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.776 23.852 -1.836 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.922 26.899 -4.747 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.837 25.497 -4.905 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.138 26.213 -3.304 1.00 1.06 H new ATOM 482 N MET A 120 12.102 20.589 -2.914 1.00 0.85 N ATOM 483 CA MET A 120 12.230 19.393 -2.023 1.00 1.01 C ATOM 484 C MET A 120 13.150 18.365 -2.689 1.00 0.95 C ATOM 485 O MET A 120 13.948 17.715 -2.040 1.00 1.11 O ATOM 486 CB MET A 120 10.811 18.835 -1.888 1.00 1.17 C ATOM 487 CG MET A 120 10.134 19.442 -0.660 1.00 1.52 C ATOM 488 SD MET A 120 8.487 20.041 -1.113 1.00 1.88 S ATOM 489 CE MET A 120 7.737 18.436 -1.482 1.00 1.43 C ATOM 0 H MET A 120 11.169 20.747 -3.295 1.00 0.85 H new ATOM 0 HA MET A 120 12.656 19.637 -1.050 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.233 19.063 -2.784 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.844 17.749 -1.798 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.057 18.697 0.131 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.736 20.262 -0.268 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.143 18.513 -2.393 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.521 17.692 -1.621 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.094 18.136 -0.654 1.00 1.43 H new ATOM 499 N LEU A 121 13.050 18.235 -3.989 1.00 0.87 N ATOM 500 CA LEU A 121 13.921 17.274 -4.728 1.00 0.95 C ATOM 501 C LEU A 121 15.353 17.828 -4.838 1.00 0.87 C ATOM 502 O LEU A 121 16.302 17.083 -4.996 1.00 0.97 O ATOM 503 CB LEU A 121 13.275 17.154 -6.111 1.00 1.09 C ATOM 504 CG LEU A 121 13.143 15.679 -6.491 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.941 15.071 -5.767 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.939 15.559 -8.004 1.00 1.80 C ATOM 0 H LEU A 121 12.397 18.758 -4.572 1.00 0.87 H new ATOM 0 HA LEU A 121 13.999 16.309 -4.228 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.293 17.628 -6.107 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.879 17.678 -6.852 1.00 1.09 H new ATOM 0 HG LEU A 121 14.049 15.147 -6.202 1.00 1.41 H new ATOM 0 HD11 LEU A 121 11.847 14.019 -6.038 1.00 2.03 H new ATOM 0 HD12 LEU A 121 12.084 15.157 -4.690 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.035 15.603 -6.057 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.845 14.508 -8.276 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.032 16.091 -8.292 1.00 1.80 H new ATOM 0 HD23 LEU A 121 13.794 15.993 -8.522 1.00 1.80 H new ATOM 518 N GLN A 122 15.515 19.131 -4.755 1.00 0.82 N ATOM 519 CA GLN A 122 16.884 19.734 -4.851 1.00 0.95 C ATOM 520 C GLN A 122 17.770 19.240 -3.697 1.00 1.04 C ATOM 521 O GLN A 122 18.950 19.004 -3.875 1.00 1.19 O ATOM 522 CB GLN A 122 16.664 21.249 -4.754 1.00 1.14 C ATOM 523 CG GLN A 122 17.214 21.932 -6.012 1.00 1.42 C ATOM 524 CD GLN A 122 18.737 21.779 -6.064 1.00 1.85 C ATOM 525 OE1 GLN A 122 19.434 22.190 -5.159 1.00 2.44 O ATOM 526 NE2 GLN A 122 19.286 21.200 -7.095 1.00 2.28 N ATOM 0 H GLN A 122 14.757 19.801 -4.625 1.00 0.82 H new ATOM 0 HA GLN A 122 17.389 19.456 -5.776 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.601 21.466 -4.646 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.162 21.643 -3.868 1.00 1.14 H new ATOM 0 HG2 GLN A 122 16.765 21.491 -6.902 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.946 22.988 -6.010 1.00 1.42 H new ATOM 0 HE21 GLN A 122 18.702 20.854 -7.856 1.00 2.28 H new ATOM 0 HE22 GLN A 122 20.299 21.093 -7.140 1.00 2.28 H new ATOM 535 N ALA A 123 17.206 19.076 -2.521 1.00 1.09 N ATOM 536 CA ALA A 123 18.009 18.586 -1.355 1.00 1.33 C ATOM 537 C ALA A 123 18.576 17.190 -1.649 1.00 1.38 C ATOM 538 O ALA A 123 19.726 16.910 -1.371 1.00 1.62 O ATOM 539 CB ALA A 123 17.024 18.525 -0.187 1.00 1.45 C ATOM 0 H ALA A 123 16.223 19.261 -2.320 1.00 1.09 H new ATOM 0 HA ALA A 123 18.857 19.236 -1.140 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.540 18.173 0.706 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.616 19.519 -0.003 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.213 17.839 -0.431 1.00 1.45 H new ATOM 545 N THR A 124 17.778 16.318 -2.219 1.00 1.29 N ATOM 546 CA THR A 124 18.275 14.944 -2.544 1.00 1.47 C ATOM 547 C THR A 124 19.173 14.988 -3.789 1.00 1.44 C ATOM 548 O THR A 124 20.134 14.249 -3.890 1.00 1.72 O ATOM 549 CB THR A 124 17.023 14.092 -2.804 1.00 1.56 C ATOM 550 OG1 THR A 124 16.089 14.824 -3.584 1.00 2.16 O ATOM 551 CG2 THR A 124 16.380 13.712 -1.472 1.00 1.92 C ATOM 0 H THR A 124 16.807 16.498 -2.472 1.00 1.29 H new ATOM 0 HA THR A 124 18.872 14.527 -1.733 1.00 1.47 H new ATOM 0 HB THR A 124 17.313 13.191 -3.344 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.551 15.552 -4.050 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.492 13.108 -1.656 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.091 13.140 -0.875 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.098 14.616 -0.933 1.00 1.92 H new ATOM 559 N GLY A 125 18.877 15.854 -4.732 1.00 1.26 N ATOM 560 CA GLY A 125 19.722 15.948 -5.961 1.00 1.32 C ATOM 561 C GLY A 125 18.853 15.770 -7.206 1.00 1.26 C ATOM 562 O GLY A 125 18.954 14.780 -7.905 1.00 1.63 O ATOM 0 H GLY A 125 18.087 16.498 -4.701 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.225 16.914 -5.994 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.499 15.184 -5.937 1.00 1.32 H new ATOM 566 N GLU A 126 18.000 16.722 -7.490 1.00 1.02 N ATOM 567 CA GLU A 126 17.121 16.607 -8.698 1.00 1.08 C ATOM 568 C GLU A 126 17.768 17.280 -9.919 1.00 0.89 C ATOM 569 O GLU A 126 17.629 16.798 -11.025 1.00 0.87 O ATOM 570 CB GLU A 126 15.798 17.295 -8.323 1.00 1.34 C ATOM 571 CG GLU A 126 16.035 18.756 -7.905 1.00 1.45 C ATOM 572 CD GLU A 126 15.434 19.700 -8.946 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.225 19.851 -8.949 1.00 2.16 O ATOM 574 OE2 GLU A 126 16.194 20.259 -9.718 1.00 2.09 O ATOM 0 H GLU A 126 17.873 17.572 -6.941 1.00 1.02 H new ATOM 0 HA GLU A 126 16.962 15.565 -8.975 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.114 17.262 -9.171 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.321 16.753 -7.507 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.585 18.942 -6.930 1.00 1.45 H new ATOM 0 HG3 GLU A 126 17.104 18.945 -7.804 1.00 1.45 H new ATOM 581 N THR A 127 18.474 18.381 -9.715 1.00 1.09 N ATOM 582 CA THR A 127 19.153 19.121 -10.844 1.00 1.21 C ATOM 583 C THR A 127 18.444 18.893 -12.194 1.00 1.29 C ATOM 584 O THR A 127 19.011 18.352 -13.128 1.00 1.60 O ATOM 585 CB THR A 127 20.597 18.587 -10.862 1.00 1.57 C ATOM 586 OG1 THR A 127 21.337 19.259 -11.873 1.00 1.91 O ATOM 587 CG2 THR A 127 20.613 17.079 -11.135 1.00 2.18 C ATOM 0 H THR A 127 18.610 18.804 -8.797 1.00 1.09 H new ATOM 0 HA THR A 127 19.122 20.200 -10.690 1.00 1.21 H new ATOM 0 HB THR A 127 21.049 18.770 -9.887 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.909 19.114 -12.743 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.643 16.722 -11.144 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.056 16.562 -10.354 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.152 16.879 -12.102 1.00 2.18 H new ATOM 595 N ILE A 128 17.201 19.293 -12.293 1.00 1.08 N ATOM 596 CA ILE A 128 16.441 19.090 -13.567 1.00 1.20 C ATOM 597 C ILE A 128 15.736 20.384 -14.007 1.00 1.18 C ATOM 598 O ILE A 128 15.585 21.317 -13.240 1.00 1.15 O ATOM 599 CB ILE A 128 15.420 17.994 -13.226 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.800 17.432 -14.510 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.310 18.573 -12.341 1.00 1.62 C ATOM 602 CD1 ILE A 128 15.888 16.816 -15.394 1.00 2.03 C ATOM 0 H ILE A 128 16.678 19.752 -11.547 1.00 1.08 H new ATOM 0 HA ILE A 128 17.090 18.812 -14.397 1.00 1.20 H new ATOM 0 HB ILE A 128 15.933 17.193 -12.693 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.052 16.679 -14.262 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.286 18.225 -15.052 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.589 17.791 -12.103 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.744 18.959 -11.419 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.806 19.381 -12.871 1.00 1.62 H new ATOM 0 HD11 ILE A 128 15.437 16.420 -16.304 1.00 2.03 H new ATOM 0 HD12 ILE A 128 16.620 17.580 -15.655 1.00 2.03 H new ATOM 0 HD13 ILE A 128 16.383 16.009 -14.853 1.00 2.03 H new ATOM 614 N THR A 129 15.300 20.436 -15.243 1.00 1.34 N ATOM 615 CA THR A 129 14.595 21.656 -15.750 1.00 1.42 C ATOM 616 C THR A 129 13.217 21.784 -15.081 1.00 1.16 C ATOM 617 O THR A 129 12.649 20.812 -14.616 1.00 0.97 O ATOM 618 CB THR A 129 14.456 21.434 -17.264 1.00 1.64 C ATOM 619 OG1 THR A 129 15.750 21.379 -17.851 1.00 2.23 O ATOM 620 CG2 THR A 129 13.664 22.581 -17.895 1.00 2.28 C ATOM 0 H THR A 129 15.402 19.684 -15.924 1.00 1.34 H new ATOM 0 HA THR A 129 15.137 22.575 -15.528 1.00 1.42 H new ATOM 0 HB THR A 129 13.927 20.497 -17.439 1.00 1.64 H new ATOM 0 HG1 THR A 129 15.665 21.236 -18.817 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.572 22.413 -18.968 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.671 22.626 -17.448 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.184 23.522 -17.719 1.00 2.28 H new ATOM 628 N GLU A 130 12.679 22.978 -15.025 1.00 1.31 N ATOM 629 CA GLU A 130 11.340 23.180 -14.382 1.00 1.28 C ATOM 630 C GLU A 130 10.278 22.278 -15.028 1.00 1.16 C ATOM 631 O GLU A 130 9.528 21.606 -14.346 1.00 1.21 O ATOM 632 CB GLU A 130 11.000 24.652 -14.626 1.00 1.69 C ATOM 633 CG GLU A 130 9.529 24.894 -14.278 1.00 2.05 C ATOM 634 CD GLU A 130 9.411 25.326 -12.814 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.494 26.516 -12.557 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.243 24.460 -11.971 1.00 3.03 O ATOM 0 H GLU A 130 13.110 23.824 -15.397 1.00 1.31 H new ATOM 0 HA GLU A 130 11.361 22.928 -13.322 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.640 25.291 -14.017 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.187 24.913 -15.668 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.113 25.663 -14.929 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.951 23.986 -14.447 1.00 2.05 H new ATOM 643 N ASP A 131 10.206 22.274 -16.335 1.00 1.18 N ATOM 644 CA ASP A 131 9.193 21.430 -17.048 1.00 1.19 C ATOM 645 C ASP A 131 9.239 19.969 -16.564 1.00 1.07 C ATOM 646 O ASP A 131 8.235 19.283 -16.561 1.00 1.14 O ATOM 647 CB ASP A 131 9.592 21.523 -18.521 1.00 1.44 C ATOM 648 CG ASP A 131 9.176 22.883 -19.084 1.00 1.48 C ATOM 649 OD1 ASP A 131 9.976 23.802 -19.008 1.00 2.07 O ATOM 650 OD2 ASP A 131 8.068 22.983 -19.580 1.00 1.91 O ATOM 0 H ASP A 131 10.810 22.824 -16.946 1.00 1.18 H new ATOM 0 HA ASP A 131 8.174 21.772 -16.865 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.669 21.390 -18.625 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.116 20.723 -19.088 1.00 1.44 H new ATOM 655 N ASP A 132 10.388 19.495 -16.142 1.00 1.00 N ATOM 656 CA ASP A 132 10.478 18.084 -15.645 1.00 1.03 C ATOM 657 C ASP A 132 9.739 17.961 -14.304 1.00 0.88 C ATOM 658 O ASP A 132 9.099 16.963 -14.029 1.00 1.03 O ATOM 659 CB ASP A 132 11.974 17.808 -15.469 1.00 1.13 C ATOM 660 CG ASP A 132 12.595 17.445 -16.819 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.555 16.279 -17.173 1.00 1.79 O ATOM 662 OD2 ASP A 132 13.102 18.339 -17.475 1.00 1.99 O ATOM 0 H ASP A 132 11.262 20.020 -16.120 1.00 1.00 H new ATOM 0 HA ASP A 132 10.022 17.371 -16.332 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.469 18.686 -15.055 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.122 16.994 -14.759 1.00 1.13 H new ATOM 667 N ILE A 133 9.808 18.983 -13.480 1.00 0.75 N ATOM 668 CA ILE A 133 9.088 18.948 -12.165 1.00 0.77 C ATOM 669 C ILE A 133 7.590 18.743 -12.416 1.00 0.70 C ATOM 670 O ILE A 133 6.909 18.066 -11.669 1.00 0.82 O ATOM 671 CB ILE A 133 9.321 20.325 -11.514 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.823 20.647 -11.447 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.753 20.320 -10.092 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.582 19.484 -10.799 1.00 1.00 C ATOM 0 H ILE A 133 10.332 19.839 -13.662 1.00 0.75 H new ATOM 0 HA ILE A 133 9.445 18.140 -11.527 1.00 0.77 H new ATOM 0 HB ILE A 133 8.821 21.081 -12.119 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.209 20.830 -12.450 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.982 21.560 -10.873 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.918 21.294 -9.631 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.684 20.112 -10.128 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.253 19.551 -9.503 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.645 19.722 -10.756 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.206 19.322 -9.789 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.436 18.580 -11.390 1.00 1.00 H new ATOM 686 N GLU A 134 7.084 19.333 -13.472 1.00 0.61 N ATOM 687 CA GLU A 134 5.635 19.197 -13.803 1.00 0.64 C ATOM 688 C GLU A 134 5.252 17.728 -14.029 1.00 0.64 C ATOM 689 O GLU A 134 4.124 17.339 -13.790 1.00 0.76 O ATOM 690 CB GLU A 134 5.451 20.019 -15.079 1.00 0.73 C ATOM 691 CG GLU A 134 4.836 21.370 -14.714 1.00 0.89 C ATOM 692 CD GLU A 134 3.332 21.199 -14.478 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.611 21.061 -15.454 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.928 21.201 -13.328 1.00 1.86 O ATOM 0 H GLU A 134 7.620 19.907 -14.123 1.00 0.61 H new ATOM 0 HA GLU A 134 4.995 19.547 -12.993 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.410 20.164 -15.576 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.806 19.488 -15.779 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.313 21.769 -13.818 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.010 22.089 -15.514 1.00 0.89 H new ATOM 701 N GLU A 135 6.173 16.902 -14.465 1.00 0.59 N ATOM 702 CA GLU A 135 5.840 15.457 -14.671 1.00 0.67 C ATOM 703 C GLU A 135 5.456 14.831 -13.323 1.00 0.74 C ATOM 704 O GLU A 135 4.523 14.056 -13.232 1.00 0.91 O ATOM 705 CB GLU A 135 7.112 14.814 -15.239 1.00 0.72 C ATOM 706 CG GLU A 135 7.479 15.464 -16.584 1.00 1.16 C ATOM 707 CD GLU A 135 6.235 15.593 -17.472 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.732 14.571 -17.908 1.00 2.03 O ATOM 709 OE2 GLU A 135 5.810 16.713 -17.702 1.00 2.29 O ATOM 0 H GLU A 135 7.134 17.163 -14.686 1.00 0.59 H new ATOM 0 HA GLU A 135 4.999 15.312 -15.349 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.934 14.932 -14.533 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.958 13.743 -15.374 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.915 16.448 -16.413 1.00 1.16 H new ATOM 0 HG3 GLU A 135 8.235 14.864 -17.091 1.00 1.16 H new ATOM 716 N LEU A 136 6.147 15.194 -12.269 1.00 0.73 N ATOM 717 CA LEU A 136 5.806 14.655 -10.917 1.00 0.87 C ATOM 718 C LEU A 136 4.554 15.373 -10.369 1.00 0.81 C ATOM 719 O LEU A 136 3.887 14.881 -9.480 1.00 1.00 O ATOM 720 CB LEU A 136 7.031 14.949 -10.042 1.00 0.99 C ATOM 721 CG LEU A 136 8.162 13.969 -10.384 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.450 14.748 -10.649 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.383 13.005 -9.212 1.00 1.75 C ATOM 0 H LEU A 136 6.934 15.842 -12.288 1.00 0.73 H new ATOM 0 HA LEU A 136 5.580 13.589 -10.939 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.365 15.974 -10.201 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.766 14.860 -8.988 1.00 0.99 H new ATOM 0 HG LEU A 136 7.889 13.401 -11.273 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.253 14.052 -10.892 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.297 15.431 -11.485 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.720 15.318 -9.760 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.186 12.311 -9.458 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.653 13.572 -8.321 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.466 12.446 -9.023 1.00 1.75 H new ATOM 735 N MET A 137 4.226 16.530 -10.904 1.00 0.67 N ATOM 736 CA MET A 137 3.013 17.270 -10.428 1.00 0.71 C ATOM 737 C MET A 137 1.756 16.773 -11.166 1.00 0.68 C ATOM 738 O MET A 137 0.667 16.825 -10.635 1.00 0.70 O ATOM 739 CB MET A 137 3.279 18.744 -10.754 1.00 0.82 C ATOM 740 CG MET A 137 2.096 19.601 -10.283 1.00 0.99 C ATOM 741 SD MET A 137 1.906 19.443 -8.490 1.00 0.94 S ATOM 742 CE MET A 137 0.770 20.830 -8.240 1.00 0.53 C ATOM 0 H MET A 137 4.747 16.992 -11.649 1.00 0.67 H new ATOM 0 HA MET A 137 2.837 17.117 -9.363 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.196 19.074 -10.266 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.426 18.868 -11.827 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.261 20.645 -10.551 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.182 19.284 -10.785 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.122 21.444 -7.411 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.728 21.434 -9.147 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.225 20.449 -8.012 1.00 0.53 H new ATOM 752 N LYS A 138 1.898 16.291 -12.383 1.00 0.76 N ATOM 753 CA LYS A 138 0.702 15.790 -13.142 1.00 0.82 C ATOM 754 C LYS A 138 0.018 14.668 -12.360 1.00 0.72 C ATOM 755 O LYS A 138 -1.156 14.740 -12.056 1.00 0.84 O ATOM 756 CB LYS A 138 1.244 15.248 -14.467 1.00 0.99 C ATOM 757 CG LYS A 138 1.401 16.395 -15.469 1.00 1.57 C ATOM 758 CD LYS A 138 2.508 16.055 -16.473 1.00 2.09 C ATOM 759 CE LYS A 138 2.592 17.153 -17.542 1.00 2.74 C ATOM 760 NZ LYS A 138 3.482 18.201 -16.960 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.786 16.223 -12.881 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.033 16.579 -13.300 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.205 14.760 -14.305 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.566 14.494 -14.867 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.460 16.564 -15.993 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.644 17.319 -14.944 1.00 1.57 H new ATOM 0 HD2 LYS A 138 3.464 15.962 -15.957 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.304 15.092 -16.942 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.000 16.764 -18.475 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.605 17.557 -17.770 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 3.361 19.090 -17.486 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 3.233 18.353 -15.962 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 4.473 17.891 -17.026 1.00 3.43 H new ATOM 774 N ASP A 139 0.749 13.635 -12.024 1.00 0.75 N ATOM 775 CA ASP A 139 0.145 12.513 -11.248 1.00 0.78 C ATOM 776 C ASP A 139 -0.066 12.941 -9.785 1.00 0.70 C ATOM 777 O ASP A 139 -0.960 12.460 -9.116 1.00 0.81 O ATOM 778 CB ASP A 139 1.149 11.362 -11.357 1.00 0.97 C ATOM 779 CG ASP A 139 0.738 10.436 -12.501 1.00 1.16 C ATOM 780 OD1 ASP A 139 -0.171 9.647 -12.299 1.00 1.69 O ATOM 781 OD2 ASP A 139 1.333 10.535 -13.560 1.00 1.66 O ATOM 0 H ASP A 139 1.736 13.522 -12.254 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.833 12.218 -11.629 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.151 11.754 -11.534 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.185 10.806 -10.420 1.00 0.97 H new ATOM 786 N GLY A 140 0.737 13.862 -9.292 1.00 0.64 N ATOM 787 CA GLY A 140 0.564 14.341 -7.886 1.00 0.62 C ATOM 788 C GLY A 140 -0.716 15.174 -7.808 1.00 0.57 C ATOM 789 O GLY A 140 -1.477 15.076 -6.868 1.00 0.65 O ATOM 0 H GLY A 140 1.502 14.299 -9.806 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.506 13.494 -7.202 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.423 14.939 -7.582 1.00 0.62 H new ATOM 793 N ASP A 141 -0.953 15.982 -8.810 1.00 0.56 N ATOM 794 CA ASP A 141 -2.177 16.830 -8.852 1.00 0.56 C ATOM 795 C ASP A 141 -2.827 16.697 -10.241 1.00 0.58 C ATOM 796 O ASP A 141 -2.753 17.592 -11.064 1.00 0.64 O ATOM 797 CB ASP A 141 -1.668 18.260 -8.608 1.00 0.60 C ATOM 798 CG ASP A 141 -2.734 19.084 -7.883 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.890 18.987 -8.252 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.374 19.802 -6.967 1.00 1.23 O ATOM 0 H ASP A 141 -0.336 16.090 -9.615 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.929 16.547 -8.115 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.754 18.232 -8.015 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.417 18.732 -9.558 1.00 0.60 H new ATOM 805 N LYS A 142 -3.449 15.569 -10.511 1.00 0.62 N ATOM 806 CA LYS A 142 -4.092 15.353 -11.852 1.00 0.70 C ATOM 807 C LYS A 142 -5.137 16.441 -12.146 1.00 0.79 C ATOM 808 O LYS A 142 -5.338 16.819 -13.285 1.00 0.92 O ATOM 809 CB LYS A 142 -4.752 13.972 -11.769 1.00 0.79 C ATOM 810 CG LYS A 142 -3.875 12.941 -12.494 1.00 0.88 C ATOM 811 CD LYS A 142 -4.109 11.550 -11.891 1.00 1.37 C ATOM 812 CE LYS A 142 -3.136 11.323 -10.729 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.696 9.902 -10.851 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.539 14.789 -9.860 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.362 15.406 -12.660 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.885 13.683 -10.727 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.744 14.003 -12.220 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.112 12.932 -13.558 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.824 13.215 -12.404 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.137 11.463 -11.540 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.967 10.784 -12.653 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.287 12.004 -10.789 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.621 11.503 -9.770 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.849 9.412 -9.946 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.246 9.431 -11.597 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -1.685 9.871 -11.094 1.00 2.44 H new ATOM 827 N ASN A 143 -5.793 16.956 -11.133 1.00 0.80 N ATOM 828 CA ASN A 143 -6.810 18.029 -11.367 1.00 0.95 C ATOM 829 C ASN A 143 -6.105 19.382 -11.598 1.00 0.92 C ATOM 830 O ASN A 143 -6.626 20.253 -12.270 1.00 1.08 O ATOM 831 CB ASN A 143 -7.687 18.027 -10.097 1.00 1.07 C ATOM 832 CG ASN A 143 -7.473 19.300 -9.273 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.042 20.329 -9.569 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.676 19.269 -8.243 1.00 1.70 N ATOM 0 H ASN A 143 -5.669 16.681 -10.159 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.418 17.859 -12.255 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.737 17.945 -10.377 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.450 17.154 -9.490 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.530 20.111 -7.685 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.198 18.403 -7.994 1.00 1.70 H new ATOM 841 N ASN A 144 -4.914 19.546 -11.058 1.00 0.86 N ATOM 842 CA ASN A 144 -4.132 20.816 -11.240 1.00 0.93 C ATOM 843 C ASN A 144 -4.897 22.046 -10.716 1.00 1.03 C ATOM 844 O ASN A 144 -5.249 22.938 -11.469 1.00 1.71 O ATOM 845 CB ASN A 144 -3.882 20.926 -12.751 1.00 1.08 C ATOM 846 CG ASN A 144 -2.522 21.584 -12.999 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.446 22.765 -13.272 1.00 2.18 O ATOM 848 ND2 ASN A 144 -1.436 20.866 -12.916 1.00 1.97 N ATOM 0 H ASN A 144 -4.445 18.841 -10.490 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.203 20.789 -10.671 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.907 19.936 -13.207 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -4.672 21.513 -13.219 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -0.526 21.297 -13.080 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -1.497 19.874 -12.687 1.00 1.97 H new ATOM 855 N ASP A 145 -5.130 22.112 -9.428 1.00 0.88 N ATOM 856 CA ASP A 145 -5.846 23.297 -8.848 1.00 0.92 C ATOM 857 C ASP A 145 -4.840 24.316 -8.274 1.00 0.91 C ATOM 858 O ASP A 145 -5.214 25.403 -7.874 1.00 1.07 O ATOM 859 CB ASP A 145 -6.738 22.735 -7.731 1.00 0.93 C ATOM 860 CG ASP A 145 -5.878 22.270 -6.553 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.168 21.295 -6.715 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.946 22.894 -5.508 1.00 1.89 O ATOM 0 H ASP A 145 -4.857 21.399 -8.752 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.428 23.822 -9.605 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.442 23.498 -7.398 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.328 21.901 -8.111 1.00 0.93 H new ATOM 867 N GLY A 146 -3.571 23.973 -8.227 1.00 0.84 N ATOM 868 CA GLY A 146 -2.552 24.919 -7.676 1.00 0.92 C ATOM 869 C GLY A 146 -1.965 24.373 -6.367 1.00 0.66 C ATOM 870 O GLY A 146 -0.841 24.681 -6.021 1.00 0.74 O ATOM 0 H GLY A 146 -3.200 23.078 -8.547 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.755 25.069 -8.404 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.009 25.892 -7.498 1.00 0.92 H new ATOM 874 N ARG A 147 -2.704 23.570 -5.635 1.00 0.56 N ATOM 875 CA ARG A 147 -2.162 23.021 -4.351 1.00 0.54 C ATOM 876 C ARG A 147 -2.337 21.500 -4.288 1.00 0.46 C ATOM 877 O ARG A 147 -3.396 20.972 -4.572 1.00 0.45 O ATOM 878 CB ARG A 147 -2.983 23.695 -3.250 1.00 0.77 C ATOM 879 CG ARG A 147 -2.621 25.180 -3.172 1.00 1.39 C ATOM 880 CD ARG A 147 -2.687 25.648 -1.716 1.00 1.79 C ATOM 881 NE ARG A 147 -1.264 25.782 -1.289 1.00 2.55 N ATOM 882 CZ ARG A 147 -0.906 26.766 -0.514 1.00 2.87 C ATOM 883 NH1 ARG A 147 -1.400 26.862 0.689 1.00 3.10 N ATOM 884 NH2 ARG A 147 -0.060 27.656 -0.947 1.00 3.37 N1+ ATOM 0 H ARG A 147 -3.651 23.274 -5.870 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.095 23.217 -4.249 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.047 23.581 -3.455 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.789 23.213 -2.292 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.620 25.342 -3.572 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.308 25.765 -3.784 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.216 26.597 -1.630 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.220 24.929 -1.094 1.00 1.79 H new ATOM 0 HE ARG A 147 -0.571 25.103 -1.604 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -2.067 26.166 1.023 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -1.119 27.633 1.296 1.00 3.10 H new ATOM 0 HH21 ARG A 147 0.320 27.582 -1.890 1.00 3.37 H new ATOM 0 HH22 ARG A 147 0.222 28.428 -0.343 1.00 3.37 H new ATOM 898 N ILE A 148 -1.302 20.796 -3.909 1.00 0.49 N ATOM 899 CA ILE A 148 -1.392 19.306 -3.818 1.00 0.44 C ATOM 900 C ILE A 148 -1.963 18.889 -2.456 1.00 0.46 C ATOM 901 O ILE A 148 -1.585 19.416 -1.426 1.00 0.63 O ATOM 902 CB ILE A 148 0.050 18.800 -3.987 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.664 19.411 -5.252 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.047 17.275 -4.118 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.909 18.621 -5.662 1.00 0.63 C ATOM 0 H ILE A 148 -0.395 21.189 -3.658 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.054 18.888 -4.576 1.00 0.44 H new ATOM 0 HB ILE A 148 0.637 19.092 -3.116 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.066 19.402 -6.062 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.927 20.453 -5.072 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.070 16.918 -4.238 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.389 16.834 -3.222 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.542 16.986 -4.988 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.339 19.061 -6.561 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.642 18.653 -4.856 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.634 17.585 -5.861 1.00 0.63 H new ATOM 917 N ASP A 149 -2.873 17.947 -2.448 1.00 0.48 N ATOM 918 CA ASP A 149 -3.481 17.485 -1.165 1.00 0.53 C ATOM 919 C ASP A 149 -2.942 16.098 -0.795 1.00 0.53 C ATOM 920 O ASP A 149 -2.309 15.435 -1.596 1.00 0.63 O ATOM 921 CB ASP A 149 -4.985 17.411 -1.451 1.00 0.58 C ATOM 922 CG ASP A 149 -5.776 17.989 -0.276 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.612 17.497 0.828 1.00 1.65 O ATOM 924 OD2 ASP A 149 -6.539 18.911 -0.505 1.00 1.84 O ATOM 0 H ASP A 149 -3.222 17.476 -3.282 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.251 18.150 -0.333 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.217 17.963 -2.362 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.279 16.376 -1.623 1.00 0.58 H new ATOM 929 N TYR A 150 -3.201 15.649 0.409 1.00 0.58 N ATOM 930 CA TYR A 150 -2.714 14.296 0.825 1.00 0.60 C ATOM 931 C TYR A 150 -3.497 13.201 0.085 1.00 0.59 C ATOM 932 O TYR A 150 -2.973 12.137 -0.187 1.00 0.63 O ATOM 933 CB TYR A 150 -2.954 14.215 2.336 1.00 0.73 C ATOM 934 CG TYR A 150 -1.882 13.350 2.960 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.613 13.883 3.211 1.00 1.15 C ATOM 936 CD2 TYR A 150 -2.155 12.014 3.282 1.00 1.22 C ATOM 937 CE1 TYR A 150 0.383 13.084 3.785 1.00 1.43 C ATOM 938 CE2 TYR A 150 -1.159 11.214 3.855 1.00 1.56 C ATOM 939 CZ TYR A 150 0.111 11.750 4.107 1.00 1.48 C ATOM 940 OH TYR A 150 1.100 10.965 4.669 1.00 1.96 O ATOM 0 H TYR A 150 -3.727 16.158 1.119 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.661 14.149 0.584 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.935 15.213 2.774 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.940 13.797 2.539 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.401 14.912 2.962 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -3.134 11.601 3.088 1.00 1.22 H new ATOM 0 HE1 TYR A 150 1.362 13.498 3.979 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -1.369 10.184 4.103 1.00 1.56 H new ATOM 0 HH TYR A 150 0.691 10.197 5.120 1.00 1.96 H new ATOM 950 N ASP A 151 -4.740 13.461 -0.258 1.00 0.64 N ATOM 951 CA ASP A 151 -5.551 12.443 -0.999 1.00 0.70 C ATOM 952 C ASP A 151 -4.862 12.098 -2.328 1.00 0.63 C ATOM 953 O ASP A 151 -4.634 10.943 -2.636 1.00 0.77 O ATOM 954 CB ASP A 151 -6.907 13.115 -1.249 1.00 0.79 C ATOM 955 CG ASP A 151 -7.781 12.979 -0.003 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.614 13.778 0.904 1.00 1.90 O ATOM 957 OD2 ASP A 151 -8.603 12.079 0.025 1.00 1.83 O ATOM 0 H ASP A 151 -5.226 14.335 -0.056 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.661 11.512 -0.443 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.764 14.168 -1.492 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.401 12.654 -2.105 1.00 0.79 H new ATOM 962 N GLU A 152 -4.510 13.097 -3.104 1.00 0.54 N ATOM 963 CA GLU A 152 -3.812 12.838 -4.403 1.00 0.56 C ATOM 964 C GLU A 152 -2.355 12.413 -4.143 1.00 0.52 C ATOM 965 O GLU A 152 -1.739 11.753 -4.959 1.00 0.65 O ATOM 966 CB GLU A 152 -3.865 14.171 -5.160 1.00 0.60 C ATOM 967 CG GLU A 152 -5.314 14.487 -5.557 1.00 0.77 C ATOM 968 CD GLU A 152 -5.514 16.003 -5.634 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.604 16.622 -4.587 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.570 16.522 -6.737 1.00 1.40 O ATOM 0 H GLU A 152 -4.677 14.081 -2.893 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.279 12.035 -4.972 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.467 14.971 -4.535 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.238 14.119 -6.050 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.544 14.032 -6.520 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -6.002 14.057 -4.829 1.00 0.77 H new ATOM 977 N PHE A 153 -1.809 12.782 -3.002 1.00 0.46 N ATOM 978 CA PHE A 153 -0.398 12.401 -2.659 1.00 0.46 C ATOM 979 C PHE A 153 -0.238 10.875 -2.693 1.00 0.50 C ATOM 980 O PHE A 153 0.690 10.354 -3.282 1.00 0.64 O ATOM 981 CB PHE A 153 -0.189 12.927 -1.231 1.00 0.49 C ATOM 982 CG PHE A 153 1.281 13.140 -0.944 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.047 13.984 -1.756 1.00 0.52 C ATOM 984 CD2 PHE A 153 1.874 12.496 0.148 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.405 14.179 -1.475 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.230 12.693 0.428 1.00 0.73 C ATOM 987 CZ PHE A 153 3.997 13.534 -0.384 1.00 0.68 C ATOM 0 H PHE A 153 -2.286 13.335 -2.290 1.00 0.46 H new ATOM 0 HA PHE A 153 0.326 12.813 -3.362 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.728 13.865 -1.102 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.605 12.219 -0.514 1.00 0.49 H new ATOM 0 HD1 PHE A 153 1.592 14.484 -2.598 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.283 11.845 0.776 1.00 0.62 H new ATOM 0 HE1 PHE A 153 3.997 14.829 -2.102 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.685 12.195 1.272 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.045 13.685 -0.169 1.00 0.68 H new ATOM 997 N LEU A 154 -1.140 10.161 -2.064 1.00 0.53 N ATOM 998 CA LEU A 154 -1.053 8.665 -2.049 1.00 0.62 C ATOM 999 C LEU A 154 -1.202 8.104 -3.469 1.00 0.65 C ATOM 1000 O LEU A 154 -0.514 7.176 -3.852 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.223 8.205 -1.166 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.775 8.071 0.298 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.540 7.170 0.388 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.441 9.452 0.869 1.00 1.20 C ATOM 0 H LEU A 154 -1.936 10.550 -1.558 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.092 8.316 -1.671 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.043 8.920 -1.237 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.603 7.248 -1.525 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.587 7.627 0.875 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.230 7.081 1.429 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.781 6.182 -0.005 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.271 7.605 -0.196 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.124 9.350 1.907 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.637 9.902 0.287 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.324 10.089 0.820 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.095 8.664 -4.248 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.302 8.175 -5.649 1.00 0.81 C ATOM 1018 C GLU A 155 -1.068 8.457 -6.528 1.00 0.76 C ATOM 1019 O GLU A 155 -0.907 7.869 -7.582 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.510 8.964 -6.163 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.403 8.050 -7.008 1.00 1.41 C ATOM 1022 CD GLU A 155 -5.179 8.888 -8.026 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -6.169 9.487 -7.641 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -4.769 8.917 -9.174 1.00 2.57 O ATOM 0 H GLU A 155 -2.693 9.443 -3.973 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.460 7.097 -5.680 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -4.077 9.367 -5.324 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -3.175 9.813 -6.759 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.795 7.306 -7.523 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.096 7.507 -6.365 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.201 9.349 -6.109 1.00 0.66 N ATOM 1032 CA PHE A 156 1.011 9.662 -6.928 1.00 0.77 C ATOM 1033 C PHE A 156 2.233 8.911 -6.397 1.00 0.71 C ATOM 1034 O PHE A 156 2.928 8.238 -7.135 1.00 0.88 O ATOM 1035 CB PHE A 156 1.223 11.171 -6.780 1.00 0.84 C ATOM 1036 CG PHE A 156 2.609 11.517 -7.270 1.00 1.01 C ATOM 1037 CD1 PHE A 156 2.815 11.816 -8.619 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.689 11.520 -6.380 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.096 12.122 -9.082 1.00 1.72 C ATOM 1040 CE2 PHE A 156 4.971 11.828 -6.843 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.175 12.130 -8.194 1.00 1.53 C ATOM 0 H PHE A 156 -0.281 9.872 -5.237 1.00 0.66 H new ATOM 0 HA PHE A 156 0.878 9.363 -7.968 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.473 11.716 -7.353 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.106 11.468 -5.738 1.00 0.84 H new ATOM 0 HD1 PHE A 156 1.981 11.810 -9.305 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.532 11.285 -5.338 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.253 12.352 -10.125 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.805 11.833 -6.157 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.166 12.369 -8.550 1.00 1.53 H new ATOM 1051 N MET A 157 2.513 9.059 -5.127 1.00 0.61 N ATOM 1052 CA MET A 157 3.709 8.395 -4.520 1.00 0.69 C ATOM 1053 C MET A 157 3.761 6.901 -4.891 1.00 0.83 C ATOM 1054 O MET A 157 4.828 6.343 -5.062 1.00 1.17 O ATOM 1055 CB MET A 157 3.544 8.621 -3.010 1.00 0.84 C ATOM 1056 CG MET A 157 3.899 7.361 -2.228 1.00 0.92 C ATOM 1057 SD MET A 157 5.684 7.043 -2.333 1.00 1.56 S ATOM 1058 CE MET A 157 6.259 8.528 -1.471 1.00 0.90 C ATOM 0 H MET A 157 1.959 9.617 -4.477 1.00 0.61 H new ATOM 0 HA MET A 157 4.651 8.804 -4.884 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.183 9.444 -2.690 1.00 0.84 H new ATOM 0 HB3 MET A 157 2.516 8.911 -2.792 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.603 7.475 -1.185 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.346 6.510 -2.625 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.190 8.308 -0.948 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.429 9.326 -2.194 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.505 8.846 -0.751 1.00 0.90 H new ATOM 1068 N LYS A 158 2.622 6.259 -5.031 1.00 0.86 N ATOM 1069 CA LYS A 158 2.612 4.807 -5.409 1.00 1.07 C ATOM 1070 C LYS A 158 3.438 4.582 -6.690 1.00 1.36 C ATOM 1071 O LYS A 158 4.053 3.546 -6.864 1.00 1.73 O ATOM 1072 CB LYS A 158 1.132 4.465 -5.646 1.00 1.28 C ATOM 1073 CG LYS A 158 0.999 3.017 -6.137 1.00 1.66 C ATOM 1074 CD LYS A 158 1.112 2.052 -4.951 1.00 2.24 C ATOM 1075 CE LYS A 158 2.210 1.019 -5.231 1.00 2.85 C ATOM 1076 NZ LYS A 158 2.225 0.133 -4.031 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.701 6.677 -4.900 1.00 0.86 H new ATOM 0 HA LYS A 158 3.054 4.177 -4.637 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.567 4.598 -4.723 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.706 5.147 -6.381 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.041 2.880 -6.638 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.776 2.799 -6.870 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.342 2.605 -4.040 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.159 1.549 -4.786 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.996 0.452 -6.137 1.00 2.85 H new ATOM 0 HE3 LYS A 158 3.177 1.501 -5.377 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 2.953 -0.600 -4.150 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 2.438 0.698 -3.185 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 1.294 -0.318 -3.921 1.00 3.52 H new ATOM 1090 N GLY A 159 3.459 5.549 -7.579 1.00 1.73 N ATOM 1091 CA GLY A 159 4.245 5.405 -8.842 1.00 2.35 C ATOM 1092 C GLY A 159 4.908 6.743 -9.196 1.00 2.13 C ATOM 1093 O GLY A 159 4.674 7.294 -10.256 1.00 2.59 O ATOM 0 H GLY A 159 2.962 6.434 -7.481 1.00 1.73 H new ATOM 0 HA2 GLY A 159 5.005 4.632 -8.723 1.00 2.35 H new ATOM 0 HA3 GLY A 159 3.591 5.086 -9.654 1.00 2.35 H new ATOM 1097 N VAL A 160 5.733 7.269 -8.317 1.00 1.87 N ATOM 1098 CA VAL A 160 6.416 8.579 -8.603 1.00 1.87 C ATOM 1099 C VAL A 160 7.256 8.479 -9.883 1.00 2.39 C ATOM 1100 O VAL A 160 8.000 7.536 -10.077 1.00 3.11 O ATOM 1101 CB VAL A 160 7.329 8.876 -7.398 1.00 1.68 C ATOM 1102 CG1 VAL A 160 6.487 9.331 -6.203 1.00 1.89 C ATOM 1103 CG2 VAL A 160 8.136 7.627 -7.015 1.00 1.76 C ATOM 0 H VAL A 160 5.963 6.850 -7.416 1.00 1.87 H new ATOM 0 HA VAL A 160 5.683 9.372 -8.750 1.00 1.87 H new ATOM 0 HB VAL A 160 8.021 9.671 -7.676 1.00 1.68 H new ATOM 0 HG11 VAL A 160 7.140 9.539 -5.356 1.00 1.89 H new ATOM 0 HG12 VAL A 160 5.938 10.234 -6.468 1.00 1.89 H new ATOM 0 HG13 VAL A 160 5.783 8.544 -5.934 1.00 1.89 H new ATOM 0 HG21 VAL A 160 8.776 7.854 -6.162 1.00 1.76 H new ATOM 0 HG22 VAL A 160 7.453 6.819 -6.751 1.00 1.76 H new ATOM 0 HG23 VAL A 160 8.753 7.319 -7.859 1.00 1.76 H new ATOM 1113 N GLU A 161 7.138 9.443 -10.756 1.00 2.52 N ATOM 1114 CA GLU A 161 7.924 9.407 -12.028 1.00 3.28 C ATOM 1115 C GLU A 161 9.321 10.006 -11.808 1.00 3.90 C ATOM 1116 O GLU A 161 9.411 11.201 -11.580 1.00 4.34 O ATOM 1117 CB GLU A 161 7.118 10.246 -13.027 1.00 3.49 C ATOM 1118 CG GLU A 161 5.738 9.610 -13.240 1.00 4.11 C ATOM 1119 CD GLU A 161 5.543 9.277 -14.719 1.00 4.29 C ATOM 1120 OE1 GLU A 161 5.161 10.166 -15.461 1.00 4.60 O ATOM 1121 OE2 GLU A 161 5.776 8.137 -15.085 1.00 4.56 O ATOM 1122 OXT GLU A 161 10.279 9.253 -11.866 1.00 4.37 O ATOM 0 H GLU A 161 6.531 10.255 -10.645 1.00 2.52 H new ATOM 0 HA GLU A 161 8.074 8.390 -12.390 1.00 3.28 H new ATOM 0 HB2 GLU A 161 7.006 11.264 -12.655 1.00 3.49 H new ATOM 0 HB3 GLU A 161 7.650 10.310 -13.976 1.00 3.49 H new ATOM 0 HG2 GLU A 161 5.648 8.705 -12.639 1.00 4.11 H new ATOM 0 HG3 GLU A 161 4.957 10.293 -12.906 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 2.929 25.040 0.313 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.796 18.980 -5.616 1.00 0.00 CA HETATM 1132 C1 STL A 162 12.120 11.033 -2.209 1.00 20.00 C HETATM 1133 C2 STL A 162 12.655 9.869 -2.797 1.00 20.00 C HETATM 1134 C3 STL A 162 12.210 9.450 -4.058 1.00 20.00 C HETATM 1135 C4 STL A 162 11.228 10.193 -4.739 1.00 20.00 C HETATM 1136 C5 STL A 162 10.681 11.349 -4.161 1.00 20.00 C HETATM 1137 C6 STL A 162 11.132 11.777 -2.899 1.00 20.00 C HETATM 1138 C7 STL A 162 9.679 12.083 -4.784 1.00 20.00 C HETATM 1139 C8 STL A 162 8.564 12.643 -4.137 1.00 20.00 C HETATM 1140 C9 STL A 162 7.535 13.391 -4.697 1.00 20.00 C HETATM 1141 C10 STL A 162 7.695 14.174 -5.864 1.00 20.00 C HETATM 1142 C11 STL A 162 6.604 14.936 -6.356 1.00 20.00 C HETATM 1143 C12 STL A 162 5.379 14.884 -5.653 1.00 20.00 C HETATM 1144 C13 STL A 162 5.212 14.098 -4.488 1.00 20.00 C HETATM 1145 C14 STL A 162 6.299 13.347 -4.009 1.00 20.00 C HETATM 1146 O1 STL A 162 4.325 15.605 -6.116 1.00 20.00 O HETATM 1147 O2 STL A 162 12.718 8.329 -4.632 1.00 20.00 O HETATM 1148 O3 STL A 162 12.545 11.442 -0.992 1.00 20.00 O HETATM 0 HO3 STL A 162 12.072 12.262 -0.739 1.00 20.00 H new HETATM 0 HO2 STL A 162 12.294 8.187 -5.504 1.00 20.00 H new HETATM 0 HO1 STL A 162 3.552 15.468 -5.530 1.00 20.00 H new HETATM 0 H8 STL A 162 8.498 12.469 -3.063 1.00 20.00 H new HETATM 0 H7 STL A 162 9.764 12.237 -5.860 1.00 20.00 H new HETATM 0 H6 STL A 162 10.721 12.682 -2.452 1.00 20.00 H new HETATM 0 H4 STL A 162 10.890 9.868 -5.723 1.00 20.00 H new HETATM 0 H2 STL A 162 13.416 9.294 -2.270 1.00 20.00 H new HETATM 0 H14 STL A 162 6.191 12.735 -3.114 1.00 20.00 H new HETATM 0 H13 STL A 162 4.254 14.075 -3.969 1.00 20.00 H new HETATM 0 H11 STL A 162 6.708 15.546 -7.253 1.00 20.00 H new HETATM 0 H10 STL A 162 8.653 14.192 -6.384 1.00 20.00 H new