USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 870 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 106 CYS SG : rot 76:sc= 0.938 USER MOD Set 1.2: A 133 GLN : amide:sc= -1.62! K(o=-0.68!,f=-1.5) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.0575 USER MOD Set 2.2: A 76 HIS :FLIP no HD1:sc= -1.43 F(o=-2.1!,f=-1.4) USER MOD Single : A 29 MET CE :methyl 157:sc= -0.152 (180deg=-0.782) USER MOD Single : A 31 CYS SG : rot 180:sc= 0.0265 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 1.66 (180deg=1.61) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -150:sc= -10.3! (180deg=-12.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.66) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.0203 (180deg=-0.166) USER MOD Single : A 52 THR OG1 : rot 117:sc= 1.21 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 57 THR OG1 : rot 93:sc= 0.817 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -6.06! C(o=-6.1!,f=-6.1!) USER MOD Single : A 61 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.13) USER MOD Single : A 67 LYS NZ :NH3+ -107:sc= -1.13 (180deg=-6.38!) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.37! C(o=-11!,f=-9.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -164:sc= -0.174 (180deg=-0.677) USER MOD Single : A 86 ASN : amide:sc= -1.47 X(o=-1.5,f=-1) USER MOD Single : A 89 SER OG : rot 17:sc= 0.942 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.901 X(o=-0.9,f=-0.4) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc=-0.000198 (180deg=-0.0888) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -110:sc= -1.24 (180deg=-2.38!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 109:sc=0.000793 USER MOD Single : A 128 HIS :FLIP no HE2:sc= -2.46 F(o=-3,f=-2.5) USER MOD Single : A 134 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 138 LYS NZ :NH3+ -171:sc= 0.275 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 29 -15.900 6.714 16.492 1.00 15.50 N ATOM 2 CA MET A 29 -16.163 5.538 15.631 1.00 14.89 C ATOM 3 C MET A 29 -17.061 5.894 14.446 1.00 14.63 C ATOM 4 O MET A 29 -17.234 5.088 13.530 1.00 14.97 O ATOM 5 CB MET A 29 -16.775 4.396 16.458 1.00 14.83 C ATOM 6 CG MET A 29 -18.023 4.776 17.253 1.00 15.02 C ATOM 7 SD MET A 29 -19.518 4.880 16.248 1.00 15.45 S ATOM 8 CE MET A 29 -19.706 3.173 15.739 1.00 15.28 C ATOM 0 HA MET A 29 -15.209 5.203 15.224 1.00 14.89 H new ATOM 0 HB2 MET A 29 -17.025 3.574 15.787 1.00 14.83 H new ATOM 0 HB3 MET A 29 -16.020 4.023 17.150 1.00 14.83 H new ATOM 0 HG2 MET A 29 -18.177 4.041 18.043 1.00 15.02 H new ATOM 0 HG3 MET A 29 -17.855 5.737 17.739 1.00 15.02 H new ATOM 0 HE1 MET A 29 -20.747 2.984 15.476 1.00 15.28 H new ATOM 0 HE2 MET A 29 -19.073 2.980 14.873 1.00 15.28 H new ATOM 0 HE3 MET A 29 -19.413 2.515 16.557 1.00 15.28 H new ATOM 20 N GLU A 30 -17.622 7.108 14.481 1.00 14.20 N ATOM 21 CA GLU A 30 -18.459 7.638 13.401 1.00 14.13 C ATOM 22 C GLU A 30 -19.768 6.858 13.267 1.00 14.36 C ATOM 23 O GLU A 30 -19.872 5.908 12.490 1.00 14.15 O ATOM 24 CB GLU A 30 -17.696 7.645 12.068 1.00 13.38 C ATOM 25 CG GLU A 30 -18.482 8.243 10.910 1.00 12.84 C ATOM 26 CD GLU A 30 -18.881 9.684 11.150 1.00 13.13 C ATOM 27 OE1 GLU A 30 -19.945 9.915 11.759 1.00 13.36 O ATOM 28 OE2 GLU A 30 -18.132 10.590 10.732 1.00 13.30 O ATOM 0 H GLU A 30 -17.507 7.753 15.263 1.00 14.20 H new ATOM 0 HA GLU A 30 -18.711 8.666 13.660 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -16.770 8.206 12.194 1.00 13.38 H new ATOM 0 HB3 GLU A 30 -17.417 6.622 11.815 1.00 13.38 H new ATOM 0 HG2 GLU A 30 -17.882 8.184 10.002 1.00 12.84 H new ATOM 0 HG3 GLU A 30 -19.378 7.647 10.740 1.00 12.84 H new ATOM 35 N CYS A 31 -20.766 7.260 14.038 1.00 14.95 N ATOM 36 CA CYS A 31 -22.093 6.672 13.924 1.00 15.43 C ATOM 37 C CYS A 31 -23.049 7.652 13.247 1.00 15.40 C ATOM 38 O CYS A 31 -24.215 7.336 12.998 1.00 15.27 O ATOM 39 CB CYS A 31 -22.628 6.265 15.302 1.00 16.40 C ATOM 40 SG CYS A 31 -22.678 7.608 16.510 1.00 17.05 S ATOM 0 H CYS A 31 -20.684 7.988 14.747 1.00 14.95 H new ATOM 0 HA CYS A 31 -22.020 5.774 13.310 1.00 15.43 H new ATOM 0 HB2 CYS A 31 -23.634 5.862 15.183 1.00 16.40 H new ATOM 0 HB3 CYS A 31 -22.007 5.461 15.696 1.00 16.40 H new ATOM 0 HG CYS A 31 -23.146 7.161 17.637 1.00 17.05 H new ATOM 46 N ALA A 32 -22.541 8.841 12.940 1.00 15.67 N ATOM 47 CA ALA A 32 -23.342 9.863 12.284 1.00 15.86 C ATOM 48 C ALA A 32 -23.376 9.610 10.784 1.00 15.04 C ATOM 49 O ALA A 32 -24.446 9.496 10.184 1.00 15.00 O ATOM 50 CB ALA A 32 -22.794 11.249 12.594 1.00 16.57 C ATOM 0 H ALA A 32 -21.579 9.119 13.136 1.00 15.67 H new ATOM 0 HA ALA A 32 -24.362 9.815 12.665 1.00 15.86 H new ATOM 0 HB1 ALA A 32 -23.405 12.002 12.095 1.00 16.57 H new ATOM 0 HB2 ALA A 32 -22.818 11.417 13.671 1.00 16.57 H new ATOM 0 HB3 ALA A 32 -21.766 11.322 12.238 1.00 16.57 H new ATOM 56 N ASP A 33 -22.201 9.506 10.181 1.00 14.54 N ATOM 57 CA ASP A 33 -22.104 9.097 8.789 1.00 13.85 C ATOM 58 C ASP A 33 -21.859 7.599 8.744 1.00 12.87 C ATOM 59 O ASP A 33 -20.772 7.141 8.396 1.00 12.61 O ATOM 60 CB ASP A 33 -20.982 9.847 8.056 1.00 14.29 C ATOM 61 CG ASP A 33 -21.003 9.610 6.550 1.00 14.46 C ATOM 62 OD1 ASP A 33 -20.380 8.629 6.096 1.00 14.55 O ATOM 63 OD2 ASP A 33 -21.651 10.389 5.815 1.00 14.65 O ATOM 0 H ASP A 33 -21.306 9.698 10.631 1.00 14.54 H new ATOM 0 HA ASP A 33 -23.036 9.342 8.280 1.00 13.85 H new ATOM 0 HB2 ASP A 33 -21.075 10.915 8.253 1.00 14.29 H new ATOM 0 HB3 ASP A 33 -20.018 9.532 8.456 1.00 14.29 H new ATOM 68 N VAL A 34 -22.867 6.841 9.158 1.00 12.51 N ATOM 69 CA VAL A 34 -22.779 5.390 9.155 1.00 11.75 C ATOM 70 C VAL A 34 -22.475 4.887 7.745 1.00 10.55 C ATOM 71 O VAL A 34 -23.179 5.221 6.787 1.00 10.22 O ATOM 72 CB VAL A 34 -24.079 4.741 9.700 1.00 12.12 C ATOM 73 CG1 VAL A 34 -25.303 5.203 8.916 1.00 12.06 C ATOM 74 CG2 VAL A 34 -23.974 3.222 9.687 1.00 12.37 C ATOM 0 H VAL A 34 -23.755 7.209 9.500 1.00 12.51 H new ATOM 0 HA VAL A 34 -21.965 5.098 9.818 1.00 11.75 H new ATOM 0 HB VAL A 34 -24.202 5.068 10.733 1.00 12.12 H new ATOM 0 HG11 VAL A 34 -26.196 4.730 9.324 1.00 12.06 H new ATOM 0 HG12 VAL A 34 -25.398 6.286 8.995 1.00 12.06 H new ATOM 0 HG13 VAL A 34 -25.191 4.924 7.868 1.00 12.06 H new ATOM 0 HG21 VAL A 34 -24.897 2.790 10.073 1.00 12.37 H new ATOM 0 HG22 VAL A 34 -23.812 2.877 8.666 1.00 12.37 H new ATOM 0 HG23 VAL A 34 -23.138 2.910 10.312 1.00 12.37 H new ATOM 84 N PRO A 35 -21.387 4.116 7.590 1.00 10.03 N ATOM 85 CA PRO A 35 -20.946 3.640 6.282 1.00 8.95 C ATOM 86 C PRO A 35 -21.980 2.738 5.626 1.00 8.28 C ATOM 87 O PRO A 35 -22.376 1.707 6.175 1.00 8.57 O ATOM 88 CB PRO A 35 -19.664 2.859 6.586 1.00 9.02 C ATOM 89 CG PRO A 35 -19.774 2.504 8.027 1.00 10.14 C ATOM 90 CD PRO A 35 -20.502 3.649 8.670 1.00 10.65 C ATOM 0 HA PRO A 35 -20.793 4.461 5.582 1.00 8.95 H new ATOM 0 HB2 PRO A 35 -19.585 1.968 5.963 1.00 9.02 H new ATOM 0 HB3 PRO A 35 -18.777 3.462 6.393 1.00 9.02 H new ATOM 0 HG2 PRO A 35 -20.318 1.569 8.160 1.00 10.14 H new ATOM 0 HG3 PRO A 35 -18.789 2.366 8.473 1.00 10.14 H new ATOM 0 HD2 PRO A 35 -21.066 3.329 9.546 1.00 10.65 H new ATOM 0 HD3 PRO A 35 -19.817 4.431 8.999 1.00 10.65 H new ATOM 98 N LEU A 36 -22.400 3.134 4.441 1.00 7.62 N ATOM 99 CA LEU A 36 -23.357 2.366 3.662 1.00 7.19 C ATOM 100 C LEU A 36 -22.619 1.639 2.552 1.00 6.10 C ATOM 101 O LEU A 36 -23.051 1.615 1.398 1.00 6.10 O ATOM 102 CB LEU A 36 -24.430 3.292 3.082 1.00 7.86 C ATOM 103 CG LEU A 36 -25.184 4.137 4.111 1.00 8.90 C ATOM 104 CD1 LEU A 36 -26.191 5.037 3.420 1.00 9.33 C ATOM 105 CD2 LEU A 36 -25.876 3.249 5.137 1.00 9.55 C ATOM 0 H LEU A 36 -22.090 3.995 3.990 1.00 7.62 H new ATOM 0 HA LEU A 36 -23.852 1.636 4.302 1.00 7.19 H new ATOM 0 HB2 LEU A 36 -23.960 3.960 2.361 1.00 7.86 H new ATOM 0 HB3 LEU A 36 -25.152 2.687 2.533 1.00 7.86 H new ATOM 0 HG LEU A 36 -24.462 4.763 4.636 1.00 8.90 H new ATOM 0 HD11 LEU A 36 -26.719 5.632 4.165 1.00 9.33 H new ATOM 0 HD12 LEU A 36 -25.672 5.700 2.728 1.00 9.33 H new ATOM 0 HD13 LEU A 36 -26.907 4.427 2.869 1.00 9.33 H new ATOM 0 HD21 LEU A 36 -26.406 3.871 5.858 1.00 9.55 H new ATOM 0 HD22 LEU A 36 -26.586 2.595 4.632 1.00 9.55 H new ATOM 0 HD23 LEU A 36 -25.132 2.645 5.656 1.00 9.55 H new ATOM 117 N LEU A 37 -21.495 1.054 2.919 1.00 5.42 N ATOM 118 CA LEU A 37 -20.607 0.418 1.970 1.00 4.46 C ATOM 119 C LEU A 37 -20.441 -1.046 2.330 1.00 3.64 C ATOM 120 O LEU A 37 -20.162 -1.371 3.483 1.00 3.66 O ATOM 121 CB LEU A 37 -19.242 1.111 1.997 1.00 4.57 C ATOM 122 CG LEU A 37 -19.272 2.632 1.831 1.00 4.91 C ATOM 123 CD1 LEU A 37 -17.883 3.212 2.032 1.00 5.34 C ATOM 124 CD2 LEU A 37 -19.807 3.008 0.461 1.00 5.26 C ATOM 0 H LEU A 37 -21.173 1.007 3.886 1.00 5.42 H new ATOM 0 HA LEU A 37 -21.032 0.498 0.970 1.00 4.46 H new ATOM 0 HB2 LEU A 37 -18.753 0.876 2.942 1.00 4.57 H new ATOM 0 HB3 LEU A 37 -18.624 0.689 1.205 1.00 4.57 H new ATOM 0 HG LEU A 37 -19.937 3.048 2.587 1.00 4.91 H new ATOM 0 HD11 LEU A 37 -17.920 4.295 1.911 1.00 5.34 H new ATOM 0 HD12 LEU A 37 -17.530 2.971 3.034 1.00 5.34 H new ATOM 0 HD13 LEU A 37 -17.201 2.787 1.295 1.00 5.34 H new ATOM 0 HD21 LEU A 37 -19.821 4.093 0.361 1.00 5.26 H new ATOM 0 HD22 LEU A 37 -19.166 2.581 -0.310 1.00 5.26 H new ATOM 0 HD23 LEU A 37 -20.819 2.620 0.347 1.00 5.26 H new ATOM 136 N THR A 38 -20.621 -1.926 1.364 1.00 3.22 N ATOM 137 CA THR A 38 -20.435 -3.342 1.606 1.00 2.61 C ATOM 138 C THR A 38 -19.082 -3.769 1.056 1.00 1.98 C ATOM 139 O THR A 38 -18.897 -3.904 -0.154 1.00 2.04 O ATOM 140 CB THR A 38 -21.562 -4.163 0.955 1.00 2.96 C ATOM 141 OG1 THR A 38 -22.833 -3.561 1.251 1.00 3.50 O ATOM 142 CG2 THR A 38 -21.549 -5.593 1.470 1.00 3.43 C ATOM 0 H THR A 38 -20.894 -1.687 0.411 1.00 3.22 H new ATOM 0 HA THR A 38 -20.467 -3.526 2.680 1.00 2.61 H new ATOM 0 HB THR A 38 -21.402 -4.176 -0.123 1.00 2.96 H new ATOM 0 HG1 THR A 38 -23.548 -4.085 0.834 1.00 3.50 H new ATOM 0 HG21 THR A 38 -22.353 -6.157 0.998 1.00 3.43 H new ATOM 0 HG22 THR A 38 -20.592 -6.057 1.232 1.00 3.43 H new ATOM 0 HG23 THR A 38 -21.693 -5.592 2.551 1.00 3.43 H new ATOM 150 N PRO A 39 -18.113 -3.977 1.949 1.00 1.65 N ATOM 151 CA PRO A 39 -16.742 -4.231 1.579 1.00 1.21 C ATOM 152 C PRO A 39 -16.350 -5.698 1.604 1.00 1.17 C ATOM 153 O PRO A 39 -16.692 -6.439 2.529 1.00 1.62 O ATOM 154 CB PRO A 39 -15.985 -3.459 2.661 1.00 1.47 C ATOM 155 CG PRO A 39 -16.899 -3.422 3.852 1.00 1.97 C ATOM 156 CD PRO A 39 -18.254 -3.921 3.404 1.00 2.07 C ATOM 0 HA PRO A 39 -16.535 -3.932 0.551 1.00 1.21 H new ATOM 0 HB2 PRO A 39 -15.043 -3.950 2.906 1.00 1.47 H new ATOM 0 HB3 PRO A 39 -15.741 -2.452 2.324 1.00 1.47 H new ATOM 0 HG2 PRO A 39 -16.507 -4.047 4.655 1.00 1.97 H new ATOM 0 HG3 PRO A 39 -16.975 -2.408 4.245 1.00 1.97 H new ATOM 0 HD2 PRO A 39 -18.485 -4.899 3.826 1.00 2.07 H new ATOM 0 HD3 PRO A 39 -19.054 -3.246 3.707 1.00 2.07 H new ATOM 164 N SER A 40 -15.623 -6.114 0.581 1.00 0.90 N ATOM 165 CA SER A 40 -14.999 -7.418 0.598 1.00 0.95 C ATOM 166 C SER A 40 -13.535 -7.302 0.186 1.00 0.90 C ATOM 167 O SER A 40 -12.644 -7.549 0.996 1.00 0.97 O ATOM 168 CB SER A 40 -15.748 -8.381 -0.330 1.00 1.11 C ATOM 169 OG SER A 40 -15.157 -9.671 -0.331 1.00 1.74 O ATOM 0 H SER A 40 -15.453 -5.569 -0.264 1.00 0.90 H new ATOM 0 HA SER A 40 -15.044 -7.817 1.611 1.00 0.95 H new ATOM 0 HB2 SER A 40 -16.788 -8.457 -0.013 1.00 1.11 H new ATOM 0 HB3 SER A 40 -15.752 -7.981 -1.344 1.00 1.11 H new ATOM 0 HG SER A 40 -15.660 -10.261 -0.931 1.00 1.74 H new ATOM 175 N SER A 41 -13.276 -6.912 -1.058 1.00 0.87 N ATOM 176 CA SER A 41 -11.904 -6.703 -1.486 1.00 0.90 C ATOM 177 C SER A 41 -11.467 -5.241 -1.346 1.00 0.76 C ATOM 178 O SER A 41 -10.682 -4.900 -0.469 1.00 0.83 O ATOM 179 CB SER A 41 -11.728 -7.182 -2.932 1.00 1.08 C ATOM 180 OG SER A 41 -10.391 -7.024 -3.380 1.00 1.76 O ATOM 0 H SER A 41 -13.984 -6.738 -1.772 1.00 0.87 H new ATOM 0 HA SER A 41 -11.262 -7.290 -0.829 1.00 0.90 H new ATOM 0 HB2 SER A 41 -12.014 -8.231 -3.005 1.00 1.08 H new ATOM 0 HB3 SER A 41 -12.399 -6.623 -3.584 1.00 1.08 H new ATOM 0 HG SER A 41 -10.316 -7.341 -4.304 1.00 1.76 H new ATOM 186 N LYS A 42 -12.027 -4.364 -2.174 1.00 0.66 N ATOM 187 CA LYS A 42 -11.510 -3.002 -2.278 1.00 0.58 C ATOM 188 C LYS A 42 -12.165 -2.033 -1.304 1.00 0.51 C ATOM 189 O LYS A 42 -11.554 -1.050 -0.916 1.00 0.55 O ATOM 190 CB LYS A 42 -11.664 -2.454 -3.694 1.00 0.62 C ATOM 191 CG LYS A 42 -10.635 -1.382 -4.038 1.00 0.61 C ATOM 192 CD LYS A 42 -9.376 -2.001 -4.622 1.00 0.86 C ATOM 193 CE LYS A 42 -8.344 -0.945 -4.982 1.00 1.40 C ATOM 194 NZ LYS A 42 -7.108 -1.543 -5.552 1.00 1.90 N ATOM 0 H LYS A 42 -12.826 -4.566 -2.774 1.00 0.66 H new ATOM 0 HA LYS A 42 -10.454 -3.077 -2.019 1.00 0.58 H new ATOM 0 HB2 LYS A 42 -11.576 -3.275 -4.406 1.00 0.62 H new ATOM 0 HB3 LYS A 42 -12.665 -2.038 -3.809 1.00 0.62 H new ATOM 0 HG2 LYS A 42 -11.063 -0.678 -4.752 1.00 0.61 H new ATOM 0 HG3 LYS A 42 -10.383 -0.814 -3.142 1.00 0.61 H new ATOM 0 HD2 LYS A 42 -8.947 -2.699 -3.903 1.00 0.86 H new ATOM 0 HD3 LYS A 42 -9.633 -2.577 -5.511 1.00 0.86 H new ATOM 0 HE2 LYS A 42 -8.774 -0.248 -5.701 1.00 1.40 H new ATOM 0 HE3 LYS A 42 -8.090 -0.368 -4.092 1.00 1.40 H new ATOM 0 HZ1 LYS A 42 -6.466 -0.785 -5.861 1.00 1.90 H new ATOM 0 HZ2 LYS A 42 -6.637 -2.122 -4.828 1.00 1.90 H new ATOM 0 HZ3 LYS A 42 -7.355 -2.141 -6.366 1.00 1.90 H new ATOM 208 N GLU A 43 -13.400 -2.280 -0.910 1.00 0.48 N ATOM 209 CA GLU A 43 -14.163 -1.256 -0.206 1.00 0.47 C ATOM 210 C GLU A 43 -13.562 -0.963 1.169 1.00 0.41 C ATOM 211 O GLU A 43 -13.582 0.178 1.627 1.00 0.42 O ATOM 212 CB GLU A 43 -15.629 -1.667 -0.092 1.00 0.57 C ATOM 213 CG GLU A 43 -16.537 -0.569 0.435 1.00 1.04 C ATOM 214 CD GLU A 43 -16.492 0.685 -0.421 1.00 1.57 C ATOM 215 OE1 GLU A 43 -15.644 1.558 -0.158 1.00 2.23 O ATOM 216 OE2 GLU A 43 -17.297 0.800 -1.371 1.00 1.68 O ATOM 0 H GLU A 43 -13.892 -3.161 -1.059 1.00 0.48 H new ATOM 0 HA GLU A 43 -14.111 -0.335 -0.786 1.00 0.47 H new ATOM 0 HB2 GLU A 43 -15.986 -1.980 -1.073 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -15.703 -2.533 0.566 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -17.561 -0.939 0.478 1.00 1.04 H new ATOM 0 HG3 GLU A 43 -16.245 -0.319 1.455 1.00 1.04 H new ATOM 223 N MET A 44 -13.009 -1.984 1.818 1.00 0.41 N ATOM 224 CA MET A 44 -12.319 -1.789 3.089 1.00 0.41 C ATOM 225 C MET A 44 -11.188 -0.788 2.926 1.00 0.31 C ATOM 226 O MET A 44 -11.119 0.201 3.641 1.00 0.28 O ATOM 227 CB MET A 44 -11.771 -3.116 3.611 1.00 0.50 C ATOM 228 CG MET A 44 -12.863 -4.099 3.976 1.00 0.82 C ATOM 229 SD MET A 44 -12.234 -5.723 4.409 1.00 1.59 S ATOM 230 CE MET A 44 -13.777 -6.628 4.467 1.00 1.62 C ATOM 0 H MET A 44 -13.025 -2.949 1.487 1.00 0.41 H new ATOM 0 HA MET A 44 -13.035 -1.399 3.812 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.126 -3.561 2.853 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.150 -2.928 4.487 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.435 -3.702 4.815 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.552 -4.195 3.137 1.00 0.82 H new ATOM 0 HE1 MET A 44 -13.579 -7.668 4.725 1.00 1.62 H new ATOM 0 HE2 MET A 44 -14.430 -6.186 5.219 1.00 1.62 H new ATOM 0 HE3 MET A 44 -14.263 -6.582 3.492 1.00 1.62 H new ATOM 240 N MET A 45 -10.313 -1.045 1.968 1.00 0.28 N ATOM 241 CA MET A 45 -9.198 -0.149 1.693 1.00 0.22 C ATOM 242 C MET A 45 -9.679 1.166 1.092 1.00 0.20 C ATOM 243 O MET A 45 -9.059 2.204 1.281 1.00 0.20 O ATOM 244 CB MET A 45 -8.211 -0.814 0.744 1.00 0.24 C ATOM 245 CG MET A 45 -8.723 -0.912 -0.683 1.00 0.32 C ATOM 246 SD MET A 45 -7.979 -2.255 -1.606 1.00 0.98 S ATOM 247 CE MET A 45 -6.263 -1.873 -1.354 1.00 0.22 C ATOM 0 H MET A 45 -10.352 -1.867 1.366 1.00 0.28 H new ATOM 0 HA MET A 45 -8.704 0.067 2.640 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.277 -0.252 0.750 1.00 0.24 H new ATOM 0 HB3 MET A 45 -7.983 -1.815 1.111 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.805 -1.046 -0.666 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.526 0.028 -1.199 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.685 -2.214 -2.213 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.143 -0.796 -1.240 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.907 -2.375 -0.454 1.00 0.22 H new ATOM 257 N SER A 46 -10.763 1.120 0.345 1.00 0.24 N ATOM 258 CA SER A 46 -11.326 2.322 -0.230 1.00 0.30 C ATOM 259 C SER A 46 -11.651 3.323 0.873 1.00 0.27 C ATOM 260 O SER A 46 -11.254 4.485 0.803 1.00 0.30 O ATOM 261 CB SER A 46 -12.565 1.978 -1.051 1.00 0.39 C ATOM 262 OG SER A 46 -13.038 3.102 -1.773 1.00 0.53 O ATOM 0 H SER A 46 -11.271 0.264 0.123 1.00 0.24 H new ATOM 0 HA SER A 46 -10.597 2.780 -0.898 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.330 1.171 -1.745 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.351 1.612 -0.390 1.00 0.39 H new ATOM 0 HG SER A 46 -13.831 2.849 -2.290 1.00 0.53 H new ATOM 268 N GLN A 47 -12.356 2.870 1.898 1.00 0.25 N ATOM 269 CA GLN A 47 -12.641 3.727 3.036 1.00 0.27 C ATOM 270 C GLN A 47 -11.407 3.906 3.929 1.00 0.24 C ATOM 271 O GLN A 47 -11.046 5.033 4.267 1.00 0.29 O ATOM 272 CB GLN A 47 -13.843 3.204 3.846 1.00 0.30 C ATOM 273 CG GLN A 47 -13.728 1.750 4.283 1.00 0.33 C ATOM 274 CD GLN A 47 -14.907 1.293 5.121 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.512 2.078 5.848 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.241 0.015 5.023 1.00 1.11 N ATOM 0 H GLN A 47 -12.737 1.926 1.965 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.908 4.708 2.644 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.966 3.827 4.732 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.746 3.319 3.247 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.648 1.115 3.400 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.809 1.619 4.855 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.713 -0.604 4.408 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.026 -0.350 5.563 1.00 1.11 H new ATOM 285 N ALA A 48 -10.753 2.801 4.295 1.00 0.21 N ATOM 286 CA ALA A 48 -9.648 2.845 5.252 1.00 0.22 C ATOM 287 C ALA A 48 -8.351 3.381 4.654 1.00 0.20 C ATOM 288 O ALA A 48 -7.804 4.357 5.154 1.00 0.22 O ATOM 289 CB ALA A 48 -9.403 1.463 5.838 1.00 0.24 C ATOM 0 H ALA A 48 -10.970 1.868 3.944 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.951 3.540 6.035 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.578 1.510 6.549 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.303 1.120 6.349 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.153 0.767 5.037 1.00 0.24 H new ATOM 295 N LEU A 49 -7.879 2.778 3.563 1.00 0.18 N ATOM 296 CA LEU A 49 -6.561 3.104 3.022 1.00 0.18 C ATOM 297 C LEU A 49 -6.540 4.493 2.439 1.00 0.19 C ATOM 298 O LEU A 49 -5.702 5.316 2.789 1.00 0.21 O ATOM 299 CB LEU A 49 -6.158 2.138 1.906 1.00 0.23 C ATOM 300 CG LEU A 49 -5.167 1.045 2.277 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.707 0.358 1.011 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.974 1.606 3.043 1.00 0.58 C ATOM 0 H LEU A 49 -8.387 2.065 3.039 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.863 3.028 3.856 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.062 1.663 1.523 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.733 2.720 1.088 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.661 0.328 2.933 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.995 -0.429 1.262 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.566 -0.079 0.501 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.228 1.085 0.356 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.288 0.796 3.291 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.459 2.342 2.426 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.321 2.081 3.960 1.00 0.58 H new ATOM 314 N LYS A 50 -7.458 4.732 1.528 1.00 0.19 N ATOM 315 CA LYS A 50 -7.466 5.960 0.760 1.00 0.21 C ATOM 316 C LYS A 50 -7.612 7.174 1.680 1.00 0.23 C ATOM 317 O LYS A 50 -7.195 8.281 1.341 1.00 0.27 O ATOM 318 CB LYS A 50 -8.576 5.897 -0.287 1.00 0.22 C ATOM 319 CG LYS A 50 -8.659 4.546 -0.992 1.00 0.20 C ATOM 320 CD LYS A 50 -7.370 4.191 -1.732 1.00 0.21 C ATOM 321 CE LYS A 50 -7.068 5.178 -2.850 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.127 5.191 -3.895 1.00 0.55 N ATOM 0 H LYS A 50 -8.214 4.087 1.299 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.514 6.072 0.240 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.532 6.109 0.192 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.412 6.678 -1.029 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.878 3.770 -0.259 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.488 4.559 -1.699 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.539 4.176 -1.027 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.454 3.187 -2.147 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -6.963 6.178 -2.430 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.112 4.923 -3.308 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.788 5.717 -4.726 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -8.353 4.214 -4.172 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.981 5.651 -3.518 1.00 0.55 H new ATOM 336 N ALA A 51 -8.221 6.955 2.839 1.00 0.22 N ATOM 337 CA ALA A 51 -8.279 7.968 3.885 1.00 0.23 C ATOM 338 C ALA A 51 -6.972 8.034 4.682 1.00 0.23 C ATOM 339 O ALA A 51 -6.459 9.119 4.961 1.00 0.26 O ATOM 340 CB ALA A 51 -9.449 7.706 4.818 1.00 0.25 C ATOM 0 H ALA A 51 -8.685 6.079 3.079 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.422 8.932 3.398 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.476 8.473 5.592 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.379 7.731 4.251 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.333 6.726 5.281 1.00 0.25 H new ATOM 346 N THR A 52 -6.426 6.864 5.025 1.00 0.21 N ATOM 347 CA THR A 52 -5.339 6.761 6.001 1.00 0.22 C ATOM 348 C THR A 52 -3.987 7.178 5.438 1.00 0.21 C ATOM 349 O THR A 52 -3.033 7.339 6.192 1.00 0.23 O ATOM 350 CB THR A 52 -5.204 5.322 6.551 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.299 5.308 7.659 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.692 4.366 5.479 1.00 0.18 C ATOM 0 H THR A 52 -6.722 5.968 4.637 1.00 0.21 H new ATOM 0 HA THR A 52 -5.613 7.450 6.800 1.00 0.22 H new ATOM 0 HB THR A 52 -6.193 4.992 6.870 1.00 0.22 H new ATOM 0 HG1 THR A 52 -4.776 5.025 8.467 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.608 3.363 5.896 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.388 4.353 4.641 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.713 4.698 5.133 1.00 0.18 H new ATOM 360 N PHE A 53 -3.906 7.375 4.128 1.00 0.23 N ATOM 361 CA PHE A 53 -2.617 7.575 3.469 1.00 0.27 C ATOM 362 C PHE A 53 -1.808 8.707 4.091 1.00 0.32 C ATOM 363 O PHE A 53 -0.579 8.700 4.025 1.00 0.34 O ATOM 364 CB PHE A 53 -2.791 7.829 1.978 1.00 0.31 C ATOM 365 CG PHE A 53 -3.275 6.629 1.229 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.772 5.371 1.514 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.226 6.756 0.241 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.214 4.261 0.825 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.671 5.649 -0.448 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.164 4.400 -0.159 1.00 0.38 C ATOM 0 H PHE A 53 -4.711 7.401 3.502 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.059 6.650 3.613 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.497 8.647 1.835 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.839 8.152 1.557 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.024 5.257 2.285 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.626 7.731 0.004 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.815 3.285 1.058 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.420 5.760 -1.218 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.512 3.534 -0.703 1.00 0.38 H new ATOM 380 N SER A 54 -2.497 9.648 4.716 1.00 0.36 N ATOM 381 CA SER A 54 -1.852 10.765 5.378 1.00 0.44 C ATOM 382 C SER A 54 -0.899 10.288 6.475 1.00 0.39 C ATOM 383 O SER A 54 0.094 10.944 6.763 1.00 0.46 O ATOM 384 CB SER A 54 -2.920 11.687 5.961 1.00 0.55 C ATOM 385 OG SER A 54 -3.933 10.937 6.617 1.00 1.37 O ATOM 0 H SER A 54 -3.515 9.657 4.777 1.00 0.36 H new ATOM 0 HA SER A 54 -1.257 11.311 4.645 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.462 12.381 6.665 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.363 12.286 5.165 1.00 0.55 H new ATOM 0 HG SER A 54 -4.606 11.547 6.984 1.00 1.37 H new ATOM 391 N GLY A 55 -1.205 9.134 7.064 1.00 0.31 N ATOM 392 CA GLY A 55 -0.401 8.589 8.144 1.00 0.28 C ATOM 393 C GLY A 55 1.065 8.415 7.785 1.00 0.22 C ATOM 394 O GLY A 55 1.933 9.085 8.349 1.00 0.25 O ATOM 0 H GLY A 55 -2.008 8.560 6.807 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.478 9.246 9.010 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.811 7.623 8.439 1.00 0.28 H new ATOM 398 N PHE A 56 1.350 7.528 6.838 1.00 0.15 N ATOM 399 CA PHE A 56 2.735 7.237 6.483 1.00 0.12 C ATOM 400 C PHE A 56 3.342 8.386 5.715 1.00 0.13 C ATOM 401 O PHE A 56 4.452 8.800 5.994 1.00 0.17 O ATOM 402 CB PHE A 56 2.869 5.965 5.646 1.00 0.13 C ATOM 403 CG PHE A 56 4.291 5.698 5.233 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.167 5.056 6.094 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.740 6.058 3.973 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.461 4.780 5.707 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.037 5.788 3.583 1.00 0.26 C ATOM 408 CZ PHE A 56 6.933 5.265 4.491 1.00 0.28 C ATOM 0 H PHE A 56 0.652 7.005 6.309 1.00 0.15 H new ATOM 0 HA PHE A 56 3.266 7.088 7.423 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.494 5.116 6.217 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.245 6.051 4.756 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.832 4.769 7.080 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.069 6.555 3.288 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.105 4.191 6.344 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.349 5.986 2.568 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.988 5.232 4.261 1.00 0.28 H new ATOM 418 N THR A 57 2.588 8.906 4.770 1.00 0.16 N ATOM 419 CA THR A 57 3.066 9.969 3.892 1.00 0.24 C ATOM 420 C THR A 57 3.492 11.203 4.700 1.00 0.26 C ATOM 421 O THR A 57 4.346 11.983 4.271 1.00 0.35 O ATOM 422 CB THR A 57 1.975 10.362 2.889 1.00 0.32 C ATOM 423 OG1 THR A 57 1.513 9.189 2.193 1.00 0.39 O ATOM 424 CG2 THR A 57 2.487 11.385 1.882 1.00 0.46 C ATOM 0 H THR A 57 1.630 8.610 4.584 1.00 0.16 H new ATOM 0 HA THR A 57 3.934 9.591 3.352 1.00 0.24 H new ATOM 0 HB THR A 57 1.153 10.814 3.443 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.733 8.820 2.657 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.688 11.642 1.186 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.812 12.283 2.408 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.327 10.964 1.331 1.00 0.46 H new ATOM 432 N LYS A 58 2.927 11.338 5.893 1.00 0.24 N ATOM 433 CA LYS A 58 3.244 12.465 6.765 1.00 0.31 C ATOM 434 C LYS A 58 4.585 12.231 7.456 1.00 0.29 C ATOM 435 O LYS A 58 5.443 13.113 7.490 1.00 0.31 O ATOM 436 CB LYS A 58 2.151 12.684 7.812 1.00 0.39 C ATOM 437 CG LYS A 58 2.376 13.913 8.677 1.00 0.50 C ATOM 438 CD LYS A 58 1.282 14.071 9.718 1.00 1.34 C ATOM 439 CE LYS A 58 1.528 15.285 10.598 1.00 1.93 C ATOM 440 NZ LYS A 58 0.478 15.436 11.637 1.00 2.52 N ATOM 0 H LYS A 58 2.248 10.683 6.280 1.00 0.24 H new ATOM 0 HA LYS A 58 3.305 13.361 6.147 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.189 12.776 7.307 1.00 0.39 H new ATOM 0 HB3 LYS A 58 2.092 11.804 8.453 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.343 13.837 9.173 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.410 14.801 8.046 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.316 14.169 9.222 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.233 13.175 10.336 1.00 1.34 H new ATOM 0 HE2 LYS A 58 2.503 15.195 11.077 1.00 1.93 H new ATOM 0 HE3 LYS A 58 1.559 16.182 9.979 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 0.681 16.275 12.217 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 -0.449 15.548 11.180 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 0.466 14.591 12.243 1.00 2.52 H new ATOM 454 N GLU A 59 4.779 11.021 7.970 1.00 0.26 N ATOM 455 CA GLU A 59 6.006 10.700 8.686 1.00 0.25 C ATOM 456 C GLU A 59 7.100 10.335 7.687 1.00 0.21 C ATOM 457 O GLU A 59 8.285 10.414 7.989 1.00 0.24 O ATOM 458 CB GLU A 59 5.786 9.570 9.702 1.00 0.31 C ATOM 459 CG GLU A 59 6.528 8.289 9.375 1.00 0.43 C ATOM 460 CD GLU A 59 6.687 7.388 10.587 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.465 7.750 11.496 1.00 0.98 O ATOM 462 OE2 GLU A 59 6.039 6.322 10.637 1.00 0.97 O ATOM 0 H GLU A 59 4.109 10.254 7.905 1.00 0.26 H new ATOM 0 HA GLU A 59 6.319 11.579 9.250 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.098 9.916 10.687 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.719 9.354 9.763 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.992 7.751 8.593 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.512 8.534 8.976 1.00 0.43 H new ATOM 469 N GLN A 60 6.676 9.937 6.495 1.00 0.19 N ATOM 470 CA GLN A 60 7.572 9.678 5.377 1.00 0.19 C ATOM 471 C GLN A 60 8.469 10.881 5.171 1.00 0.22 C ATOM 472 O GLN A 60 9.687 10.766 5.107 1.00 0.23 O ATOM 473 CB GLN A 60 6.736 9.427 4.122 1.00 0.21 C ATOM 474 CG GLN A 60 7.520 9.057 2.886 1.00 0.28 C ATOM 475 CD GLN A 60 6.612 8.934 1.682 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.600 9.621 1.583 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.963 8.061 0.764 1.00 0.26 N ATOM 0 H GLN A 60 5.692 9.784 6.275 1.00 0.19 H new ATOM 0 HA GLN A 60 8.189 8.803 5.582 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.025 8.628 4.333 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.154 10.324 3.908 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.282 9.813 2.695 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.041 8.114 3.051 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.812 7.509 0.884 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.386 7.936 -0.068 1.00 0.26 H new ATOM 486 N GLN A 61 7.840 12.042 5.113 1.00 0.28 N ATOM 487 CA GLN A 61 8.554 13.305 4.979 1.00 0.34 C ATOM 488 C GLN A 61 9.466 13.532 6.179 1.00 0.34 C ATOM 489 O GLN A 61 10.583 14.031 6.047 1.00 0.37 O ATOM 490 CB GLN A 61 7.562 14.457 4.878 1.00 0.45 C ATOM 491 CG GLN A 61 6.608 14.355 3.695 1.00 0.58 C ATOM 492 CD GLN A 61 7.316 14.090 2.377 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.746 15.013 1.690 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.416 12.823 2.004 1.00 1.12 N ATOM 0 H GLN A 61 6.826 12.139 5.157 1.00 0.28 H new ATOM 0 HA GLN A 61 9.159 13.262 4.073 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.979 14.502 5.798 1.00 0.45 H new ATOM 0 HB3 GLN A 61 8.115 15.393 4.805 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.891 13.555 3.882 1.00 0.58 H new ATOM 0 HG3 GLN A 61 6.039 15.281 3.615 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.046 12.084 2.603 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.863 12.586 1.118 1.00 1.12 H new ATOM 503 N ARG A 62 8.971 13.144 7.345 1.00 0.34 N ATOM 504 CA ARG A 62 9.691 13.321 8.599 1.00 0.39 C ATOM 505 C ARG A 62 10.938 12.439 8.643 1.00 0.36 C ATOM 506 O ARG A 62 12.014 12.883 9.040 1.00 0.41 O ATOM 507 CB ARG A 62 8.766 12.977 9.766 1.00 0.44 C ATOM 508 CG ARG A 62 9.372 13.210 11.145 1.00 0.58 C ATOM 509 CD ARG A 62 9.423 14.688 11.518 1.00 1.13 C ATOM 510 NE ARG A 62 10.312 15.464 10.653 1.00 1.93 N ATOM 511 CZ ARG A 62 11.313 16.220 11.101 1.00 2.74 C ATOM 512 NH1 ARG A 62 11.588 16.262 12.400 1.00 2.99 N ATOM 513 NH2 ARG A 62 12.045 16.920 10.244 1.00 3.73 N ATOM 0 H ARG A 62 8.060 12.698 7.449 1.00 0.34 H new ATOM 0 HA ARG A 62 10.010 14.360 8.676 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.856 13.570 9.678 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.473 11.930 9.684 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.788 12.670 11.891 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.381 12.797 11.170 1.00 0.58 H new ATOM 0 HD2 ARG A 62 8.418 15.106 11.465 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.755 14.785 12.552 1.00 1.13 H new ATOM 0 HE ARG A 62 10.156 15.424 9.646 1.00 1.93 H new ATOM 0 HH11 ARG A 62 11.032 15.714 13.057 1.00 2.99 H new ATOM 0 HH12 ARG A 62 12.355 16.842 12.740 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.840 16.878 9.246 1.00 3.73 H new ATOM 0 HH22 ARG A 62 12.812 17.500 10.584 1.00 3.73 H new ATOM 527 N LEU A 63 10.778 11.191 8.226 1.00 0.30 N ATOM 528 CA LEU A 63 11.873 10.227 8.188 1.00 0.32 C ATOM 529 C LEU A 63 12.814 10.494 7.030 1.00 0.31 C ATOM 530 O LEU A 63 13.795 9.775 6.833 1.00 0.37 O ATOM 531 CB LEU A 63 11.312 8.806 8.105 1.00 0.33 C ATOM 532 CG LEU A 63 10.474 8.366 9.308 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.895 6.982 9.074 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.305 8.386 10.583 1.00 0.65 C ATOM 0 H LEU A 63 9.886 10.816 7.904 1.00 0.30 H new ATOM 0 HA LEU A 63 12.449 10.334 9.107 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.700 8.726 7.207 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.143 8.111 7.987 1.00 0.33 H new ATOM 0 HG LEU A 63 9.652 9.072 9.426 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.302 6.685 9.939 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.261 6.998 8.188 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.706 6.268 8.927 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.688 8.070 11.424 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.150 7.706 10.477 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.672 9.397 10.762 1.00 0.65 H new ATOM 546 N GLY A 64 12.531 11.548 6.286 1.00 0.28 N ATOM 547 CA GLY A 64 13.330 11.859 5.125 1.00 0.30 C ATOM 548 C GLY A 64 13.148 10.816 4.055 1.00 0.27 C ATOM 549 O GLY A 64 13.998 10.643 3.180 1.00 0.33 O ATOM 0 H GLY A 64 11.762 12.194 6.466 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.049 12.838 4.736 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.381 11.918 5.407 1.00 0.30 H new ATOM 553 N ILE A 65 12.032 10.107 4.131 1.00 0.22 N ATOM 554 CA ILE A 65 11.733 9.083 3.170 1.00 0.20 C ATOM 555 C ILE A 65 11.166 9.733 1.914 1.00 0.21 C ATOM 556 O ILE A 65 10.243 10.547 1.994 1.00 0.23 O ATOM 557 CB ILE A 65 10.731 8.032 3.706 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.310 7.317 4.928 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.383 7.019 2.619 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.457 6.166 5.423 1.00 0.20 C ATOM 0 H ILE A 65 11.323 10.230 4.854 1.00 0.22 H new ATOM 0 HA ILE A 65 12.661 8.556 2.951 1.00 0.20 H new ATOM 0 HB ILE A 65 9.819 8.549 4.003 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.303 6.941 4.681 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.434 8.039 5.735 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.678 6.288 3.015 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.933 7.535 1.771 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.290 6.509 2.294 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.932 5.708 6.291 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.471 6.538 5.702 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.354 5.423 4.632 1.00 0.20 H new ATOM 572 N PRO A 66 11.736 9.416 0.748 1.00 0.24 N ATOM 573 CA PRO A 66 11.234 9.910 -0.536 1.00 0.27 C ATOM 574 C PRO A 66 9.751 9.602 -0.702 1.00 0.22 C ATOM 575 O PRO A 66 9.321 8.500 -0.403 1.00 0.23 O ATOM 576 CB PRO A 66 12.050 9.125 -1.556 1.00 0.35 C ATOM 577 CG PRO A 66 13.297 8.739 -0.846 1.00 0.26 C ATOM 578 CD PRO A 66 12.919 8.558 0.593 1.00 0.31 C ATOM 0 HA PRO A 66 11.331 10.991 -0.637 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.506 8.246 -1.902 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.269 9.731 -2.435 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.711 7.819 -1.259 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.061 9.509 -0.954 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.692 7.516 0.820 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.725 8.862 1.261 1.00 0.31 H new ATOM 586 N LYS A 67 8.973 10.578 -1.153 1.00 0.25 N ATOM 587 CA LYS A 67 7.518 10.413 -1.286 1.00 0.27 C ATOM 588 C LYS A 67 7.132 9.414 -2.384 1.00 0.25 C ATOM 589 O LYS A 67 5.987 8.969 -2.448 1.00 0.36 O ATOM 590 CB LYS A 67 6.851 11.765 -1.562 1.00 0.43 C ATOM 591 CG LYS A 67 7.584 12.614 -2.588 1.00 1.04 C ATOM 592 CD LYS A 67 6.732 13.770 -3.078 1.00 1.15 C ATOM 593 CE LYS A 67 5.796 13.344 -4.198 1.00 1.67 C ATOM 594 NZ LYS A 67 6.547 12.858 -5.386 1.00 2.42 N ATOM 0 H LYS A 67 9.319 11.495 -1.435 1.00 0.25 H new ATOM 0 HA LYS A 67 7.162 10.009 -0.338 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.832 11.593 -1.908 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.780 12.322 -0.628 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.503 13.001 -2.149 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.873 11.991 -3.435 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.149 14.169 -2.248 1.00 1.15 H new ATOM 0 HD3 LYS A 67 7.378 14.575 -3.430 1.00 1.15 H new ATOM 0 HE2 LYS A 67 5.133 12.557 -3.839 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.165 14.185 -4.485 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 6.492 13.567 -6.145 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 7.543 12.703 -5.128 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 6.132 11.963 -5.717 1.00 2.42 H new ATOM 608 N ASP A 68 8.087 9.057 -3.225 1.00 0.28 N ATOM 609 CA ASP A 68 7.825 8.138 -4.331 1.00 0.28 C ATOM 610 C ASP A 68 8.401 6.774 -4.009 1.00 0.21 C ATOM 611 O ASP A 68 9.184 6.644 -3.083 1.00 0.23 O ATOM 612 CB ASP A 68 8.428 8.670 -5.638 1.00 0.39 C ATOM 613 CG ASP A 68 8.002 10.089 -5.948 1.00 1.12 C ATOM 614 OD1 ASP A 68 6.791 10.342 -6.073 1.00 1.88 O ATOM 615 OD2 ASP A 68 8.884 10.964 -6.074 1.00 1.65 O ATOM 0 H ASP A 68 9.051 9.386 -3.168 1.00 0.28 H new ATOM 0 HA ASP A 68 6.747 8.053 -4.464 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.515 8.628 -5.574 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.132 8.019 -6.461 1.00 0.39 H new ATOM 620 N PRO A 69 8.000 5.726 -4.734 1.00 0.19 N ATOM 621 CA PRO A 69 8.568 4.397 -4.555 1.00 0.20 C ATOM 622 C PRO A 69 9.893 4.213 -5.280 1.00 0.26 C ATOM 623 O PRO A 69 10.821 3.658 -4.723 1.00 0.65 O ATOM 624 CB PRO A 69 7.521 3.458 -5.162 1.00 0.40 C ATOM 625 CG PRO A 69 6.405 4.321 -5.659 1.00 0.37 C ATOM 626 CD PRO A 69 6.925 5.729 -5.726 1.00 0.22 C ATOM 0 HA PRO A 69 8.782 4.208 -3.503 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.951 2.874 -5.976 1.00 0.40 H new ATOM 0 HB3 PRO A 69 7.159 2.749 -4.417 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.070 3.988 -6.641 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.546 4.260 -4.991 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.294 5.977 -6.721 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.152 6.458 -5.482 1.00 0.22 H new ATOM 634 N ARG A 70 9.977 4.763 -6.490 1.00 0.20 N ATOM 635 CA ARG A 70 11.025 4.433 -7.484 1.00 0.26 C ATOM 636 C ARG A 70 12.472 4.538 -6.963 1.00 0.19 C ATOM 637 O ARG A 70 13.396 4.059 -7.615 1.00 0.27 O ATOM 638 CB ARG A 70 10.911 5.346 -8.716 1.00 0.46 C ATOM 639 CG ARG A 70 9.550 5.361 -9.399 1.00 0.96 C ATOM 640 CD ARG A 70 8.623 6.405 -8.792 1.00 0.87 C ATOM 641 NE ARG A 70 7.435 6.629 -9.614 1.00 1.06 N ATOM 642 CZ ARG A 70 6.850 7.819 -9.777 1.00 1.29 C ATOM 643 NH1 ARG A 70 7.323 8.896 -9.162 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.796 7.928 -10.569 1.00 1.79 N ATOM 0 H ARG A 70 9.314 5.463 -6.823 1.00 0.20 H new ATOM 0 HA ARG A 70 10.839 3.387 -7.729 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.158 6.364 -8.416 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.660 5.038 -9.445 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.679 5.564 -10.462 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.091 4.376 -9.316 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.319 6.084 -7.796 1.00 0.87 H new ATOM 0 HD3 ARG A 70 9.164 7.344 -8.673 1.00 0.87 H new ATOM 0 HE ARG A 70 7.027 5.826 -10.093 1.00 1.06 H new ATOM 0 HH11 ARG A 70 8.141 8.820 -8.558 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.868 9.799 -9.294 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.434 7.106 -11.052 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.346 8.834 -10.697 1.00 1.79 H new ATOM 658 N GLN A 71 12.670 5.149 -5.815 1.00 0.16 N ATOM 659 CA GLN A 71 14.018 5.449 -5.338 1.00 0.16 C ATOM 660 C GLN A 71 14.206 5.080 -3.868 1.00 0.15 C ATOM 661 O GLN A 71 15.127 5.564 -3.210 1.00 0.18 O ATOM 662 CB GLN A 71 14.315 6.940 -5.529 1.00 0.20 C ATOM 663 CG GLN A 71 13.607 7.828 -4.513 1.00 0.38 C ATOM 664 CD GLN A 71 12.100 7.652 -4.515 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.617 6.645 -3.789 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.383 8.379 -5.192 1.00 0.29 N flip ATOM 0 H GLN A 71 11.922 5.450 -5.190 1.00 0.16 H new ATOM 0 HA GLN A 71 14.712 4.846 -5.924 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.390 7.102 -5.456 1.00 0.20 H new ATOM 0 HB3 GLN A 71 14.015 7.238 -6.534 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.991 7.607 -3.517 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.845 8.871 -4.723 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.794 9.139 -5.734 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.375 8.224 -5.214 1.00 0.29 H new ATOM 675 N TRP A 72 13.345 4.224 -3.348 1.00 0.12 N ATOM 676 CA TRP A 72 13.429 3.829 -1.956 1.00 0.11 C ATOM 677 C TRP A 72 14.521 2.800 -1.742 1.00 0.12 C ATOM 678 O TRP A 72 15.025 2.197 -2.685 1.00 0.14 O ATOM 679 CB TRP A 72 12.090 3.211 -1.532 1.00 0.11 C ATOM 680 CG TRP A 72 11.073 4.197 -1.086 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.262 5.512 -0.810 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.696 3.925 -0.840 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.079 6.077 -0.423 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.099 5.124 -0.436 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.907 2.786 -0.935 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.745 5.213 -0.123 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.570 2.874 -0.624 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.001 4.077 -0.226 1.00 0.10 C ATOM 0 H TRP A 72 12.582 3.791 -3.868 1.00 0.12 H new ATOM 0 HA TRP A 72 13.659 4.714 -1.362 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.685 2.643 -2.369 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.271 2.503 -0.724 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.205 6.034 -0.885 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.948 7.055 -0.165 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.337 1.846 -1.248 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.302 6.147 0.189 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.951 1.991 -0.691 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.947 4.112 0.007 1.00 0.10 H new ATOM 699 N THR A 73 14.938 2.659 -0.505 1.00 0.14 N ATOM 700 CA THR A 73 15.770 1.550 -0.114 1.00 0.15 C ATOM 701 C THR A 73 14.874 0.419 0.363 1.00 0.15 C ATOM 702 O THR A 73 13.671 0.635 0.551 1.00 0.16 O ATOM 703 CB THR A 73 16.720 1.963 1.022 1.00 0.18 C ATOM 704 OG1 THR A 73 15.945 2.455 2.126 1.00 0.19 O ATOM 705 CG2 THR A 73 17.688 3.045 0.564 1.00 0.21 C ATOM 0 H THR A 73 14.711 3.305 0.251 1.00 0.14 H new ATOM 0 HA THR A 73 16.369 1.229 -0.966 1.00 0.15 H new ATOM 0 HB THR A 73 17.300 1.091 1.323 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.545 2.719 2.855 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.347 3.316 1.389 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.284 2.671 -0.269 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.127 3.923 0.244 1.00 0.21 H new ATOM 713 N GLU A 74 15.429 -0.765 0.565 1.00 0.17 N ATOM 714 CA GLU A 74 14.659 -1.871 1.123 1.00 0.20 C ATOM 715 C GLU A 74 14.065 -1.471 2.473 1.00 0.19 C ATOM 716 O GLU A 74 13.025 -1.984 2.888 1.00 0.28 O ATOM 717 CB GLU A 74 15.525 -3.127 1.279 1.00 0.29 C ATOM 718 CG GLU A 74 16.211 -3.581 -0.004 1.00 1.25 C ATOM 719 CD GLU A 74 17.481 -2.807 -0.298 1.00 1.79 C ATOM 720 OE1 GLU A 74 17.403 -1.743 -0.947 1.00 2.67 O ATOM 721 OE2 GLU A 74 18.563 -3.258 0.130 1.00 1.99 O ATOM 0 H GLU A 74 16.402 -0.987 0.354 1.00 0.17 H new ATOM 0 HA GLU A 74 13.850 -2.102 0.430 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.286 -2.937 2.036 1.00 0.29 H new ATOM 0 HB3 GLU A 74 14.901 -3.940 1.651 1.00 0.29 H new ATOM 0 HG2 GLU A 74 16.447 -4.642 0.072 1.00 1.25 H new ATOM 0 HG3 GLU A 74 15.520 -3.467 -0.840 1.00 1.25 H new ATOM 728 N THR A 75 14.712 -0.515 3.127 1.00 0.18 N ATOM 729 CA THR A 75 14.262 -0.019 4.414 1.00 0.21 C ATOM 730 C THR A 75 13.026 0.862 4.242 1.00 0.17 C ATOM 731 O THR A 75 12.046 0.724 4.968 1.00 0.20 O ATOM 732 CB THR A 75 15.370 0.799 5.097 1.00 0.29 C ATOM 733 OG1 THR A 75 16.637 0.157 4.899 1.00 0.47 O ATOM 734 CG2 THR A 75 15.102 0.942 6.588 1.00 0.47 C ATOM 0 H THR A 75 15.559 -0.066 2.779 1.00 0.18 H new ATOM 0 HA THR A 75 14.013 -0.879 5.036 1.00 0.21 H new ATOM 0 HB THR A 75 15.385 1.793 4.651 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.341 0.682 5.334 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.901 1.525 7.047 1.00 0.47 H new ATOM 0 HG22 THR A 75 14.149 1.450 6.739 1.00 0.47 H new ATOM 0 HG23 THR A 75 15.064 -0.046 7.047 1.00 0.47 H new ATOM 742 N HIS A 76 13.063 1.733 3.235 1.00 0.14 N ATOM 743 CA HIS A 76 11.992 2.701 3.023 1.00 0.12 C ATOM 744 C HIS A 76 10.741 2.005 2.500 1.00 0.10 C ATOM 745 O HIS A 76 9.616 2.328 2.898 1.00 0.10 O ATOM 746 CB HIS A 76 12.438 3.805 2.054 1.00 0.14 C ATOM 747 CG HIS A 76 13.469 4.731 2.630 1.00 0.15 C ATOM 748 ND1 HIS A 76 13.639 5.176 3.894 1.00 0.20 N flip ATOM 749 CD2 HIS A 76 14.474 5.316 1.886 1.00 0.16 C flip ATOM 750 CE1 HIS A 76 14.732 6.006 3.898 1.00 0.22 C flip ATOM 751 NE2 HIS A 76 15.215 6.072 2.672 1.00 0.19 N flip ATOM 0 H HIS A 76 13.822 1.787 2.555 1.00 0.14 H new ATOM 0 HA HIS A 76 11.757 3.164 3.981 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.840 3.344 1.152 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.567 4.387 1.754 1.00 0.14 H new ATOM 0 HD2 HIS A 76 14.629 5.176 0.826 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.130 6.519 4.761 1.00 0.22 H new ATOM 0 HE2 HIS A 76 16.026 6.617 2.381 1.00 0.19 H new ATOM 760 N VAL A 77 10.948 1.031 1.619 1.00 0.09 N ATOM 761 CA VAL A 77 9.866 0.256 1.067 1.00 0.07 C ATOM 762 C VAL A 77 9.164 -0.522 2.174 1.00 0.08 C ATOM 763 O VAL A 77 7.953 -0.437 2.321 1.00 0.08 O ATOM 764 CB VAL A 77 10.371 -0.706 -0.033 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.297 -1.713 -0.405 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.828 0.076 -1.268 1.00 0.08 C ATOM 0 H VAL A 77 11.871 0.765 1.275 1.00 0.09 H new ATOM 0 HA VAL A 77 9.154 0.942 0.608 1.00 0.07 H new ATOM 0 HB VAL A 77 11.227 -1.253 0.363 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.676 -2.379 -1.181 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.026 -2.297 0.474 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.418 -1.187 -0.776 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.180 -0.620 -2.030 1.00 0.08 H new ATOM 0 HG22 VAL A 77 9.992 0.654 -1.662 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.638 0.751 -0.992 1.00 0.08 H new ATOM 776 N ARG A 78 9.940 -1.245 2.980 1.00 0.09 N ATOM 777 CA ARG A 78 9.381 -2.054 4.061 1.00 0.11 C ATOM 778 C ARG A 78 8.663 -1.204 5.101 1.00 0.10 C ATOM 779 O ARG A 78 7.683 -1.649 5.696 1.00 0.14 O ATOM 780 CB ARG A 78 10.466 -2.876 4.736 1.00 0.18 C ATOM 781 CG ARG A 78 10.911 -4.077 3.918 1.00 0.37 C ATOM 782 CD ARG A 78 11.898 -4.933 4.690 1.00 0.40 C ATOM 783 NE ARG A 78 13.137 -4.211 4.973 1.00 1.11 N ATOM 784 CZ ARG A 78 13.663 -4.077 6.192 1.00 1.43 C ATOM 785 NH1 ARG A 78 13.004 -4.526 7.253 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.833 -3.470 6.348 1.00 2.21 N ATOM 0 H ARG A 78 10.956 -1.287 2.905 1.00 0.09 H new ATOM 0 HA ARG A 78 8.649 -2.722 3.607 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.328 -2.238 4.929 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.102 -3.220 5.704 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.042 -4.676 3.645 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.369 -3.738 2.989 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.444 -5.257 5.627 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.124 -5.833 4.118 1.00 0.40 H new ATOM 0 HE ARG A 78 13.630 -3.783 4.190 1.00 1.11 H new ATOM 0 HH11 ARG A 78 12.095 -4.974 7.137 1.00 1.57 H new ATOM 0 HH12 ARG A 78 13.407 -4.423 8.185 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.331 -3.106 5.536 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.234 -3.368 7.280 1.00 2.21 H new ATOM 800 N ASP A 79 9.154 0.007 5.319 1.00 0.11 N ATOM 801 CA ASP A 79 8.516 0.947 6.233 1.00 0.12 C ATOM 802 C ASP A 79 7.086 1.202 5.804 1.00 0.11 C ATOM 803 O ASP A 79 6.135 1.056 6.582 1.00 0.12 O ATOM 804 CB ASP A 79 9.284 2.267 6.248 1.00 0.16 C ATOM 805 CG ASP A 79 10.122 2.439 7.500 1.00 0.57 C ATOM 806 OD1 ASP A 79 11.267 1.946 7.528 1.00 0.95 O ATOM 807 OD2 ASP A 79 9.642 3.074 8.464 1.00 1.05 O ATOM 0 H ASP A 79 9.998 0.365 4.872 1.00 0.11 H new ATOM 0 HA ASP A 79 8.520 0.516 7.234 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.931 2.317 5.372 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.579 3.094 6.171 1.00 0.16 H new ATOM 812 N TRP A 80 6.936 1.526 4.534 1.00 0.10 N ATOM 813 CA TRP A 80 5.641 1.816 3.964 1.00 0.09 C ATOM 814 C TRP A 80 4.843 0.526 3.820 1.00 0.09 C ATOM 815 O TRP A 80 3.613 0.513 3.931 1.00 0.09 O ATOM 816 CB TRP A 80 5.875 2.486 2.616 1.00 0.09 C ATOM 817 CG TRP A 80 4.796 2.280 1.616 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.694 3.049 1.419 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.739 1.230 0.655 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.958 2.541 0.379 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.583 1.422 -0.105 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.565 0.145 0.366 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.231 0.571 -1.142 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.213 -0.702 -0.659 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.056 -0.484 -1.406 1.00 0.10 C ATOM 0 H TRP A 80 7.709 1.595 3.872 1.00 0.10 H new ATOM 0 HA TRP A 80 5.064 2.482 4.605 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.001 3.557 2.777 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.811 2.114 2.200 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.437 3.927 1.994 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.086 2.933 0.023 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.465 -0.028 0.937 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.335 0.737 -1.721 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.842 -1.549 -0.889 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.808 -1.163 -2.209 1.00 0.10 H new ATOM 836 N VAL A 81 5.581 -0.554 3.612 1.00 0.10 N ATOM 837 CA VAL A 81 5.021 -1.878 3.445 1.00 0.11 C ATOM 838 C VAL A 81 4.271 -2.288 4.707 1.00 0.11 C ATOM 839 O VAL A 81 3.074 -2.569 4.679 1.00 0.11 O ATOM 840 CB VAL A 81 6.161 -2.883 3.110 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.906 -4.273 3.659 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.383 -2.956 1.608 1.00 0.14 C ATOM 0 H VAL A 81 6.599 -0.530 3.554 1.00 0.10 H new ATOM 0 HA VAL A 81 4.309 -1.878 2.619 1.00 0.11 H new ATOM 0 HB VAL A 81 7.059 -2.504 3.598 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.736 -4.927 3.392 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.816 -4.225 4.744 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.982 -4.668 3.236 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.184 -3.664 1.393 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.466 -3.286 1.120 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.659 -1.971 1.233 1.00 0.14 H new ATOM 852 N MET A 82 4.973 -2.291 5.818 1.00 0.11 N ATOM 853 CA MET A 82 4.370 -2.669 7.076 1.00 0.12 C ATOM 854 C MET A 82 3.405 -1.612 7.604 1.00 0.11 C ATOM 855 O MET A 82 2.628 -1.908 8.497 1.00 0.12 O ATOM 856 CB MET A 82 5.421 -3.020 8.119 1.00 0.15 C ATOM 857 CG MET A 82 6.320 -1.863 8.516 1.00 0.13 C ATOM 858 SD MET A 82 7.679 -2.376 9.585 1.00 0.49 S ATOM 859 CE MET A 82 6.788 -3.203 10.902 1.00 0.42 C ATOM 0 H MET A 82 5.959 -2.037 5.876 1.00 0.11 H new ATOM 0 HA MET A 82 3.782 -3.565 6.877 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.919 -3.397 9.010 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.040 -3.830 7.735 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.725 -1.398 7.617 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.726 -1.105 9.027 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.443 -3.323 11.765 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.921 -2.607 11.185 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.458 -4.183 10.558 1.00 0.42 H new ATOM 869 N TRP A 83 3.442 -0.382 7.086 1.00 0.09 N ATOM 870 CA TRP A 83 2.518 0.637 7.582 1.00 0.09 C ATOM 871 C TRP A 83 1.075 0.323 7.181 1.00 0.09 C ATOM 872 O TRP A 83 0.211 0.160 8.042 1.00 0.11 O ATOM 873 CB TRP A 83 2.908 2.040 7.096 1.00 0.09 C ATOM 874 CG TRP A 83 1.911 3.088 7.481 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.828 3.755 8.668 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.846 3.583 6.666 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.773 4.636 8.636 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.157 4.547 7.417 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.414 3.301 5.368 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.941 5.232 6.911 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.675 3.980 4.869 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.340 4.934 5.636 1.00 0.15 C ATOM 0 H TRP A 83 4.078 -0.075 6.350 1.00 0.09 H new ATOM 0 HA TRP A 83 2.586 0.623 8.670 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.882 2.304 7.508 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.013 2.027 6.011 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.492 3.612 9.508 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.495 5.255 9.397 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.925 2.564 4.767 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.460 5.972 7.502 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.019 3.770 3.867 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.190 5.450 5.215 1.00 0.15 H new ATOM 893 N ALA A 84 0.803 0.228 5.887 1.00 0.09 N ATOM 894 CA ALA A 84 -0.552 -0.087 5.443 1.00 0.10 C ATOM 895 C ALA A 84 -0.968 -1.418 6.052 1.00 0.10 C ATOM 896 O ALA A 84 -2.094 -1.598 6.529 1.00 0.12 O ATOM 897 CB ALA A 84 -0.632 -0.121 3.923 1.00 0.12 C ATOM 0 H ALA A 84 1.484 0.361 5.139 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.239 0.690 5.778 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.651 -0.358 3.617 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.350 0.852 3.522 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.048 -0.882 3.540 1.00 0.12 H new ATOM 903 N VAL A 85 -0.003 -2.323 6.075 1.00 0.10 N ATOM 904 CA VAL A 85 -0.138 -3.608 6.726 1.00 0.11 C ATOM 905 C VAL A 85 -0.524 -3.485 8.206 1.00 0.13 C ATOM 906 O VAL A 85 -1.492 -4.104 8.644 1.00 0.14 O ATOM 907 CB VAL A 85 1.187 -4.403 6.575 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.391 -5.419 7.691 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.228 -5.092 5.226 1.00 0.14 C ATOM 0 H VAL A 85 0.906 -2.180 5.635 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.952 -4.143 6.237 1.00 0.11 H new ATOM 0 HB VAL A 85 2.003 -3.684 6.646 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.332 -5.946 7.536 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.418 -4.904 8.651 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.569 -6.135 7.686 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.161 -5.647 5.129 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.386 -5.780 5.143 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.166 -4.346 4.434 1.00 0.14 H new ATOM 919 N ASN A 86 0.221 -2.704 8.980 1.00 0.15 N ATOM 920 CA ASN A 86 0.038 -2.711 10.429 1.00 0.19 C ATOM 921 C ASN A 86 -1.250 -2.024 10.884 1.00 0.23 C ATOM 922 O ASN A 86 -1.775 -2.359 11.948 1.00 0.27 O ATOM 923 CB ASN A 86 1.268 -2.154 11.169 1.00 0.23 C ATOM 924 CG ASN A 86 1.239 -0.659 11.453 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.747 -0.209 12.481 1.00 0.61 O ATOM 926 ND2 ASN A 86 0.681 0.121 10.553 1.00 0.32 N ATOM 0 H ASN A 86 0.943 -2.070 8.639 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.067 -3.760 10.704 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.372 -2.684 12.116 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.157 -2.377 10.579 1.00 0.23 H new ATOM 0 HD21 ASN A 86 0.660 1.131 10.696 1.00 0.32 H new ATOM 0 HD22 ASN A 86 0.269 -0.284 9.712 1.00 0.32 H new ATOM 933 N GLU A 87 -1.790 -1.094 10.092 1.00 0.24 N ATOM 934 CA GLU A 87 -3.047 -0.461 10.477 1.00 0.31 C ATOM 935 C GLU A 87 -4.176 -1.429 10.189 1.00 0.28 C ATOM 936 O GLU A 87 -5.108 -1.592 10.976 1.00 0.35 O ATOM 937 CB GLU A 87 -3.305 0.854 9.742 1.00 0.38 C ATOM 938 CG GLU A 87 -4.536 1.566 10.284 1.00 1.23 C ATOM 939 CD GLU A 87 -5.105 2.602 9.343 1.00 1.35 C ATOM 940 OE1 GLU A 87 -5.741 2.214 8.344 1.00 2.15 O ATOM 941 OE2 GLU A 87 -4.888 3.805 9.584 1.00 1.08 O ATOM 0 H GLU A 87 -1.391 -0.773 9.210 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.987 -0.220 11.538 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.435 1.503 9.841 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.437 0.657 8.678 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -5.306 0.826 10.503 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -4.280 2.048 11.228 1.00 1.23 H new ATOM 948 N PHE A 88 -4.054 -2.097 9.048 1.00 0.23 N ATOM 949 CA PHE A 88 -4.992 -3.133 8.651 1.00 0.23 C ATOM 950 C PHE A 88 -4.813 -4.385 9.507 1.00 0.25 C ATOM 951 O PHE A 88 -5.528 -5.372 9.338 1.00 0.30 O ATOM 952 CB PHE A 88 -4.780 -3.482 7.184 1.00 0.24 C ATOM 953 CG PHE A 88 -5.644 -2.682 6.256 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.982 -3.004 6.095 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.125 -1.618 5.543 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.788 -2.274 5.245 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.926 -0.885 4.690 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.258 -1.214 4.540 1.00 0.45 C ATOM 0 H PHE A 88 -3.304 -1.935 8.376 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.004 -2.756 8.796 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.733 -3.320 6.926 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -4.984 -4.543 7.036 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.400 -3.837 6.642 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.083 -1.357 5.654 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.831 -2.532 5.132 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.510 -0.054 4.140 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.884 -0.642 3.871 1.00 0.45 H new ATOM 968 N SER A 89 -3.845 -4.314 10.431 1.00 0.27 N ATOM 969 CA SER A 89 -3.454 -5.430 11.287 1.00 0.34 C ATOM 970 C SER A 89 -3.217 -6.694 10.469 1.00 0.36 C ATOM 971 O SER A 89 -3.600 -7.792 10.871 1.00 0.48 O ATOM 972 CB SER A 89 -4.478 -5.670 12.412 1.00 0.45 C ATOM 973 OG SER A 89 -5.786 -5.887 11.913 1.00 1.07 O ATOM 0 H SER A 89 -3.307 -3.465 10.603 1.00 0.27 H new ATOM 0 HA SER A 89 -2.511 -5.162 11.763 1.00 0.34 H new ATOM 0 HB2 SER A 89 -4.169 -6.533 13.003 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.486 -4.811 13.082 1.00 0.45 H new ATOM 0 HG SER A 89 -5.739 -6.113 10.961 1.00 1.07 H new ATOM 979 N LEU A 90 -2.559 -6.534 9.325 1.00 0.31 N ATOM 980 CA LEU A 90 -2.252 -7.663 8.466 1.00 0.40 C ATOM 981 C LEU A 90 -1.145 -8.458 9.121 1.00 0.59 C ATOM 982 O LEU A 90 -1.230 -9.676 9.244 1.00 1.23 O ATOM 983 CB LEU A 90 -1.814 -7.146 7.089 1.00 0.33 C ATOM 984 CG LEU A 90 -2.732 -6.067 6.506 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.218 -5.590 5.163 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.152 -6.599 6.371 1.00 0.27 C ATOM 0 H LEU A 90 -2.230 -5.634 8.975 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.125 -8.301 8.328 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.804 -6.745 7.168 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.770 -7.985 6.395 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.739 -5.218 7.189 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.886 -4.824 4.769 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.218 -5.172 5.283 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.179 -6.430 4.469 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.794 -5.822 5.956 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.155 -7.465 5.709 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.526 -6.892 7.352 1.00 0.27 H new ATOM 998 N LYS A 91 -0.136 -7.709 9.573 1.00 0.24 N ATOM 999 CA LYS A 91 0.924 -8.183 10.469 1.00 0.39 C ATOM 1000 C LYS A 91 1.422 -9.596 10.156 1.00 0.26 C ATOM 1001 O LYS A 91 1.835 -10.325 11.056 1.00 0.39 O ATOM 1002 CB LYS A 91 0.436 -8.089 11.918 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.102 -6.708 12.271 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.541 -6.614 13.723 1.00 1.49 C ATOM 1005 CE LYS A 91 0.650 -6.632 14.663 1.00 1.91 C ATOM 1006 NZ LYS A 91 0.246 -6.442 16.083 1.00 2.48 N ATOM 0 H LYS A 91 -0.030 -6.727 9.319 1.00 0.24 H new ATOM 0 HA LYS A 91 1.786 -7.535 10.312 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.345 -8.831 12.082 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.258 -8.337 12.590 1.00 0.78 H new ATOM 0 HG2 LYS A 91 0.667 -5.960 12.077 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.946 -6.473 11.623 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -1.112 -5.698 13.874 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -1.205 -7.446 13.959 1.00 1.49 H new ATOM 0 HE2 LYS A 91 1.178 -7.580 14.561 1.00 1.91 H new ATOM 0 HE3 LYS A 91 1.349 -5.846 14.377 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 1.090 -6.461 16.690 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -0.235 -5.526 16.188 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -0.400 -7.206 16.365 1.00 2.48 H new ATOM 1020 N GLY A 92 1.401 -9.977 8.888 1.00 0.26 N ATOM 1021 CA GLY A 92 1.928 -11.257 8.487 1.00 0.31 C ATOM 1022 C GLY A 92 2.609 -11.132 7.148 1.00 0.31 C ATOM 1023 O GLY A 92 2.419 -11.955 6.254 1.00 0.47 O ATOM 0 H GLY A 92 1.024 -9.414 8.126 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.636 -11.619 9.233 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.123 -11.990 8.429 1.00 0.31 H new ATOM 1027 N VAL A 93 3.381 -10.065 7.014 1.00 0.21 N ATOM 1028 CA VAL A 93 4.098 -9.768 5.795 1.00 0.21 C ATOM 1029 C VAL A 93 5.487 -10.374 5.856 1.00 0.20 C ATOM 1030 O VAL A 93 6.191 -10.237 6.858 1.00 0.22 O ATOM 1031 CB VAL A 93 4.160 -8.234 5.562 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.559 -7.745 5.222 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.210 -7.861 4.449 1.00 0.23 C ATOM 0 H VAL A 93 3.525 -9.380 7.756 1.00 0.21 H new ATOM 0 HA VAL A 93 3.569 -10.209 4.950 1.00 0.21 H new ATOM 0 HB VAL A 93 3.871 -7.751 6.495 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.540 -6.666 5.070 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.237 -7.984 6.041 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.904 -8.234 4.311 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.250 -6.785 4.282 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.498 -8.381 3.535 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.195 -8.148 4.725 1.00 0.23 H new ATOM 1043 N ASP A 94 5.868 -11.076 4.802 1.00 0.21 N ATOM 1044 CA ASP A 94 7.198 -11.633 4.733 1.00 0.24 C ATOM 1045 C ASP A 94 8.138 -10.549 4.257 1.00 0.21 C ATOM 1046 O ASP A 94 8.251 -10.292 3.060 1.00 0.20 O ATOM 1047 CB ASP A 94 7.249 -12.844 3.801 1.00 0.32 C ATOM 1048 CG ASP A 94 8.609 -13.512 3.809 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.013 -14.035 4.870 1.00 1.10 O ATOM 1050 OD2 ASP A 94 9.277 -13.532 2.756 1.00 1.94 O ATOM 0 H ASP A 94 5.278 -11.270 3.993 1.00 0.21 H new ATOM 0 HA ASP A 94 7.498 -11.983 5.721 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.489 -13.565 4.103 1.00 0.32 H new ATOM 0 HB3 ASP A 94 7.006 -12.530 2.786 1.00 0.32 H new ATOM 1055 N PHE A 95 8.782 -9.892 5.208 1.00 0.23 N ATOM 1056 CA PHE A 95 9.630 -8.745 4.918 1.00 0.24 C ATOM 1057 C PHE A 95 10.749 -9.118 3.953 1.00 0.23 C ATOM 1058 O PHE A 95 11.362 -8.252 3.336 1.00 0.28 O ATOM 1059 CB PHE A 95 10.233 -8.185 6.207 1.00 0.29 C ATOM 1060 CG PHE A 95 9.211 -7.712 7.201 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.716 -6.421 7.140 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.750 -8.557 8.198 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.779 -5.981 8.052 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.812 -8.122 9.114 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.325 -6.832 9.040 1.00 0.61 C ATOM 0 H PHE A 95 8.733 -10.136 6.197 1.00 0.23 H new ATOM 0 HA PHE A 95 9.006 -7.983 4.451 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.849 -8.954 6.672 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.894 -7.355 5.957 1.00 0.29 H new ATOM 0 HD1 PHE A 95 9.067 -5.750 6.370 1.00 0.55 H new ATOM 0 HD2 PHE A 95 9.128 -9.567 8.259 1.00 0.41 H new ATOM 0 HE1 PHE A 95 7.401 -4.971 7.993 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.460 -8.790 9.887 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.590 -6.489 9.754 1.00 0.61 H new ATOM 1075 N GLN A 96 11.009 -10.412 3.835 1.00 0.21 N ATOM 1076 CA GLN A 96 12.050 -10.904 2.941 1.00 0.24 C ATOM 1077 C GLN A 96 11.565 -10.952 1.502 1.00 0.21 C ATOM 1078 O GLN A 96 12.344 -10.751 0.573 1.00 0.25 O ATOM 1079 CB GLN A 96 12.539 -12.283 3.376 1.00 0.33 C ATOM 1080 CG GLN A 96 13.359 -12.248 4.655 1.00 1.06 C ATOM 1081 CD GLN A 96 14.511 -11.264 4.567 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.610 -11.612 4.141 1.00 2.08 O ATOM 1083 NE2 GLN A 96 14.262 -10.025 4.963 1.00 1.93 N ATOM 0 H GLN A 96 10.513 -11.142 4.347 1.00 0.21 H new ATOM 0 HA GLN A 96 12.884 -10.205 2.998 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.680 -12.938 3.520 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.141 -12.717 2.577 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.714 -11.977 5.491 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.749 -13.244 4.863 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.336 -9.777 5.310 1.00 1.93 H new ATOM 0 HE22 GLN A 96 14.997 -9.319 4.921 1.00 1.93 H new ATOM 1092 N LYS A 97 10.279 -11.201 1.315 1.00 0.18 N ATOM 1093 CA LYS A 97 9.707 -11.176 -0.016 1.00 0.19 C ATOM 1094 C LYS A 97 9.417 -9.726 -0.351 1.00 0.17 C ATOM 1095 O LYS A 97 9.394 -9.319 -1.509 1.00 0.20 O ATOM 1096 CB LYS A 97 8.429 -12.025 -0.092 1.00 0.23 C ATOM 1097 CG LYS A 97 8.214 -12.704 -1.442 1.00 0.26 C ATOM 1098 CD LYS A 97 7.903 -11.699 -2.538 1.00 0.25 C ATOM 1099 CE LYS A 97 7.778 -12.355 -3.905 1.00 0.38 C ATOM 1100 NZ LYS A 97 9.073 -12.903 -4.391 1.00 1.43 N ATOM 0 H LYS A 97 9.619 -11.420 2.061 1.00 0.18 H new ATOM 0 HA LYS A 97 10.405 -11.605 -0.735 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.465 -12.788 0.685 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.570 -11.390 0.125 1.00 0.23 H new ATOM 0 HG2 LYS A 97 9.106 -13.269 -1.710 1.00 0.26 H new ATOM 0 HG3 LYS A 97 7.395 -13.419 -1.362 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.974 -11.181 -2.300 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.689 -10.945 -2.570 1.00 0.25 H new ATOM 0 HE2 LYS A 97 7.043 -13.158 -3.854 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.403 -11.625 -4.622 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.978 -13.186 -5.387 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.811 -12.176 -4.306 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 9.336 -13.731 -3.820 1.00 1.43 H new ATOM 1114 N PHE A 98 9.260 -8.942 0.707 1.00 0.16 N ATOM 1115 CA PHE A 98 9.048 -7.515 0.596 1.00 0.16 C ATOM 1116 C PHE A 98 10.378 -6.782 0.549 1.00 0.20 C ATOM 1117 O PHE A 98 10.444 -5.572 0.778 1.00 0.22 O ATOM 1118 CB PHE A 98 8.213 -7.013 1.765 1.00 0.15 C ATOM 1119 CG PHE A 98 6.748 -7.155 1.527 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.052 -6.129 0.925 1.00 0.11 C ATOM 1121 CD2 PHE A 98 6.067 -8.302 1.895 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.706 -6.233 0.691 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.714 -8.414 1.661 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.032 -7.376 1.059 1.00 0.12 C ATOM 0 H PHE A 98 9.277 -9.284 1.668 1.00 0.16 H new ATOM 0 HA PHE A 98 8.509 -7.317 -0.331 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.486 -7.564 2.665 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.447 -5.965 1.950 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.575 -5.230 0.634 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.599 -9.114 2.368 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.175 -5.420 0.219 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.188 -9.312 1.948 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.971 -7.460 0.877 1.00 0.12 H new ATOM 1134 N CYS A 99 11.438 -7.526 0.267 1.00 0.26 N ATOM 1135 CA CYS A 99 12.754 -6.949 0.116 1.00 0.31 C ATOM 1136 C CYS A 99 12.841 -6.255 -1.231 1.00 0.23 C ATOM 1137 O CYS A 99 13.369 -6.806 -2.199 1.00 0.27 O ATOM 1138 CB CYS A 99 13.814 -8.039 0.186 1.00 0.45 C ATOM 1139 SG CYS A 99 15.485 -7.446 0.542 1.00 1.20 S ATOM 0 H CYS A 99 11.405 -8.537 0.139 1.00 0.26 H new ATOM 0 HA CYS A 99 12.925 -6.232 0.919 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.527 -8.757 0.954 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.828 -8.575 -0.763 1.00 0.45 H new ATOM 0 HG CYS A 99 16.304 -8.455 0.581 1.00 1.20 H new ATOM 1145 N MET A 100 12.297 -5.062 -1.299 1.00 0.19 N ATOM 1146 CA MET A 100 12.382 -4.271 -2.499 1.00 0.16 C ATOM 1147 C MET A 100 13.139 -3.004 -2.235 1.00 0.17 C ATOM 1148 O MET A 100 12.887 -2.309 -1.255 1.00 0.20 O ATOM 1149 CB MET A 100 11.004 -3.892 -3.056 1.00 0.22 C ATOM 1150 CG MET A 100 10.326 -4.979 -3.862 1.00 0.22 C ATOM 1151 SD MET A 100 9.427 -6.151 -2.831 1.00 0.13 S ATOM 1152 CE MET A 100 8.241 -5.073 -2.030 1.00 0.18 C ATOM 0 H MET A 100 11.790 -4.619 -0.533 1.00 0.19 H new ATOM 0 HA MET A 100 12.897 -4.889 -3.235 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.355 -3.616 -2.225 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.112 -3.007 -3.683 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.636 -4.523 -4.572 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.075 -5.514 -4.445 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.493 -4.976 -0.974 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.266 -4.090 -2.501 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.241 -5.496 -2.127 1.00 0.18 H new ATOM 1162 N SER A 101 14.078 -2.723 -3.100 1.00 0.16 N ATOM 1163 CA SER A 101 14.557 -1.382 -3.233 1.00 0.18 C ATOM 1164 C SER A 101 13.453 -0.643 -3.963 1.00 0.14 C ATOM 1165 O SER A 101 12.706 -1.273 -4.694 1.00 0.15 O ATOM 1166 CB SER A 101 15.877 -1.355 -4.007 1.00 0.24 C ATOM 1167 OG SER A 101 15.819 -2.214 -5.136 1.00 1.26 O ATOM 0 H SER A 101 14.521 -3.404 -3.717 1.00 0.16 H new ATOM 0 HA SER A 101 14.773 -0.917 -2.271 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.093 -0.337 -4.330 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.693 -1.662 -3.353 1.00 0.24 H new ATOM 0 HG SER A 101 16.672 -2.180 -5.617 1.00 1.26 H new ATOM 1173 N GLY A 102 13.287 0.633 -3.728 1.00 0.13 N ATOM 1174 CA GLY A 102 12.161 1.342 -4.294 1.00 0.14 C ATOM 1175 C GLY A 102 11.975 1.132 -5.788 1.00 0.14 C ATOM 1176 O GLY A 102 10.843 0.982 -6.257 1.00 0.16 O ATOM 0 H GLY A 102 13.910 1.202 -3.154 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.253 1.028 -3.779 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.284 2.408 -4.102 1.00 0.14 H new ATOM 1180 N ALA A 103 13.073 1.129 -6.539 1.00 0.17 N ATOM 1181 CA ALA A 103 13.011 0.851 -7.968 1.00 0.21 C ATOM 1182 C ALA A 103 12.418 -0.533 -8.205 1.00 0.21 C ATOM 1183 O ALA A 103 11.619 -0.735 -9.118 1.00 0.25 O ATOM 1184 CB ALA A 103 14.393 0.959 -8.592 1.00 0.26 C ATOM 0 H ALA A 103 14.011 1.315 -6.183 1.00 0.17 H new ATOM 0 HA ALA A 103 12.367 1.591 -8.443 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.328 0.748 -9.659 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.781 1.967 -8.444 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.062 0.240 -8.120 1.00 0.26 H new ATOM 1190 N ALA A 104 12.795 -1.467 -7.341 1.00 0.19 N ATOM 1191 CA ALA A 104 12.274 -2.821 -7.381 1.00 0.20 C ATOM 1192 C ALA A 104 10.819 -2.834 -6.941 1.00 0.16 C ATOM 1193 O ALA A 104 9.990 -3.523 -7.540 1.00 0.17 O ATOM 1194 CB ALA A 104 13.104 -3.736 -6.491 1.00 0.22 C ATOM 0 H ALA A 104 13.470 -1.304 -6.594 1.00 0.19 H new ATOM 0 HA ALA A 104 12.334 -3.189 -8.405 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.700 -4.748 -6.532 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.137 -3.743 -6.839 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.070 -3.373 -5.464 1.00 0.22 H new ATOM 1200 N LEU A 105 10.514 -2.086 -5.874 1.00 0.12 N ATOM 1201 CA LEU A 105 9.149 -1.912 -5.404 1.00 0.09 C ATOM 1202 C LEU A 105 8.207 -1.568 -6.534 1.00 0.12 C ATOM 1203 O LEU A 105 7.173 -2.174 -6.715 1.00 0.13 O ATOM 1204 CB LEU A 105 9.084 -0.777 -4.375 1.00 0.09 C ATOM 1205 CG LEU A 105 7.679 -0.542 -3.853 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.205 -1.749 -3.070 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.602 0.705 -3.011 1.00 0.14 C ATOM 0 H LEU A 105 11.210 -1.589 -5.318 1.00 0.12 H new ATOM 0 HA LEU A 105 8.845 -2.859 -4.958 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.744 -1.011 -3.539 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.457 0.141 -4.828 1.00 0.09 H new ATOM 0 HG LEU A 105 7.021 -0.397 -4.710 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.196 -1.569 -2.700 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.203 -2.625 -3.718 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.875 -1.922 -2.228 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.581 0.841 -2.655 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.274 0.610 -2.158 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.895 1.567 -3.610 1.00 0.14 H new ATOM 1219 N CYS A 106 8.557 -0.539 -7.228 1.00 0.21 N ATOM 1220 CA CYS A 106 7.802 -0.085 -8.367 1.00 0.31 C ATOM 1221 C CYS A 106 7.792 -1.118 -9.498 1.00 0.34 C ATOM 1222 O CYS A 106 6.735 -1.422 -10.057 1.00 0.40 O ATOM 1223 CB CYS A 106 8.405 1.229 -8.834 1.00 0.39 C ATOM 1224 SG CYS A 106 7.607 1.970 -10.278 1.00 0.74 S ATOM 0 H CYS A 106 9.384 0.023 -7.026 1.00 0.21 H new ATOM 0 HA CYS A 106 6.761 0.057 -8.077 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.365 1.942 -8.011 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.458 1.066 -9.064 1.00 0.39 H new ATOM 0 HG CYS A 106 6.479 2.509 -9.921 1.00 0.74 H new ATOM 1230 N ALA A 107 8.966 -1.654 -9.829 1.00 0.33 N ATOM 1231 CA ALA A 107 9.120 -2.572 -10.957 1.00 0.41 C ATOM 1232 C ALA A 107 8.263 -3.835 -10.865 1.00 0.38 C ATOM 1233 O ALA A 107 7.921 -4.412 -11.898 1.00 0.46 O ATOM 1234 CB ALA A 107 10.580 -2.961 -11.107 1.00 0.47 C ATOM 0 H ALA A 107 9.833 -1.466 -9.326 1.00 0.33 H new ATOM 0 HA ALA A 107 8.766 -2.029 -11.833 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.690 -3.645 -11.949 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.178 -2.067 -11.285 1.00 0.47 H new ATOM 0 HB3 ALA A 107 10.922 -3.450 -10.195 1.00 0.47 H new ATOM 1240 N LEU A 108 7.931 -4.295 -9.659 1.00 0.29 N ATOM 1241 CA LEU A 108 7.168 -5.539 -9.527 1.00 0.26 C ATOM 1242 C LEU A 108 5.805 -5.460 -10.220 1.00 0.26 C ATOM 1243 O LEU A 108 5.351 -6.430 -10.829 1.00 0.28 O ATOM 1244 CB LEU A 108 7.018 -5.980 -8.050 1.00 0.21 C ATOM 1245 CG LEU A 108 6.714 -4.892 -7.009 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.321 -4.284 -7.190 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.868 -5.466 -5.611 1.00 0.19 C ATOM 0 H LEU A 108 8.170 -3.839 -8.778 1.00 0.29 H new ATOM 0 HA LEU A 108 7.749 -6.306 -10.039 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.222 -6.723 -8.001 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.940 -6.480 -7.754 1.00 0.21 H new ATOM 0 HG LEU A 108 7.431 -4.084 -7.155 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.156 -3.521 -6.430 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.247 -3.833 -8.179 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.567 -5.065 -7.090 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.652 -4.692 -4.874 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.174 -6.296 -5.480 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.889 -5.822 -5.474 1.00 0.19 H new ATOM 1259 N GLY A 109 5.163 -4.302 -10.154 1.00 0.27 N ATOM 1260 CA GLY A 109 3.833 -4.169 -10.711 1.00 0.32 C ATOM 1261 C GLY A 109 2.794 -4.898 -9.874 1.00 0.27 C ATOM 1262 O GLY A 109 3.144 -5.707 -9.008 1.00 0.23 O ATOM 0 H GLY A 109 5.538 -3.455 -9.726 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.571 -3.113 -10.777 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.823 -4.564 -11.727 1.00 0.32 H new ATOM 1266 N LYS A 110 1.524 -4.596 -10.114 1.00 0.33 N ATOM 1267 CA LYS A 110 0.424 -5.238 -9.396 1.00 0.36 C ATOM 1268 C LYS A 110 0.599 -6.759 -9.371 1.00 0.26 C ATOM 1269 O LYS A 110 0.580 -7.367 -8.301 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.935 -4.831 -10.023 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.797 -5.987 -10.530 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.536 -6.696 -9.416 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.608 -8.205 -9.650 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.470 -8.562 -10.806 1.00 0.67 N ATOM 0 H LYS A 110 1.227 -3.906 -10.804 1.00 0.33 H new ATOM 0 HA LYS A 110 0.435 -4.895 -8.362 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.506 -4.273 -9.280 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.743 -4.152 -10.854 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.518 -5.607 -11.254 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.165 -6.703 -11.055 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -2.037 -6.499 -8.467 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.545 -6.292 -9.336 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.603 -8.592 -9.818 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.991 -8.691 -8.752 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.485 -9.595 -10.922 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.437 -8.218 -10.637 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.092 -8.122 -11.670 1.00 0.67 H new ATOM 1288 N GLU A 111 0.785 -7.355 -10.549 1.00 0.25 N ATOM 1289 CA GLU A 111 0.875 -8.806 -10.690 1.00 0.31 C ATOM 1290 C GLU A 111 1.833 -9.426 -9.681 1.00 0.27 C ATOM 1291 O GLU A 111 1.476 -10.360 -8.968 1.00 0.39 O ATOM 1292 CB GLU A 111 1.313 -9.149 -12.109 1.00 0.48 C ATOM 1293 CG GLU A 111 1.470 -10.635 -12.368 1.00 1.39 C ATOM 1294 CD GLU A 111 1.834 -10.922 -13.802 1.00 1.95 C ATOM 1295 OE1 GLU A 111 2.997 -10.677 -14.182 1.00 2.54 O ATOM 1296 OE2 GLU A 111 0.965 -11.399 -14.557 1.00 2.46 O ATOM 0 H GLU A 111 0.877 -6.847 -11.428 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.112 -9.223 -10.491 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.583 -8.744 -12.810 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.262 -8.653 -12.314 1.00 0.48 H new ATOM 0 HG2 GLU A 111 2.240 -11.038 -11.711 1.00 1.39 H new ATOM 0 HG3 GLU A 111 0.540 -11.147 -12.121 1.00 1.39 H new ATOM 1303 N CYS A 112 3.033 -8.886 -9.604 1.00 0.21 N ATOM 1304 CA CYS A 112 4.044 -9.443 -8.731 1.00 0.18 C ATOM 1305 C CYS A 112 3.749 -9.111 -7.283 1.00 0.15 C ATOM 1306 O CYS A 112 3.784 -9.994 -6.440 1.00 0.17 O ATOM 1307 CB CYS A 112 5.437 -8.966 -9.126 1.00 0.21 C ATOM 1308 SG CYS A 112 5.986 -9.581 -10.735 1.00 1.36 S ATOM 0 H CYS A 112 3.330 -8.066 -10.133 1.00 0.21 H new ATOM 0 HA CYS A 112 4.020 -10.527 -8.842 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.448 -7.876 -9.140 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.149 -9.282 -8.364 1.00 0.21 H new ATOM 0 HG CYS A 112 6.002 -8.603 -11.591 1.00 1.36 H new ATOM 1314 N PHE A 113 3.452 -7.844 -6.995 1.00 0.13 N ATOM 1315 CA PHE A 113 3.188 -7.409 -5.626 1.00 0.12 C ATOM 1316 C PHE A 113 2.089 -8.244 -4.949 1.00 0.13 C ATOM 1317 O PHE A 113 2.211 -8.621 -3.784 1.00 0.14 O ATOM 1318 CB PHE A 113 2.806 -5.920 -5.594 1.00 0.12 C ATOM 1319 CG PHE A 113 3.123 -5.269 -4.277 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.401 -5.608 -3.153 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.169 -4.357 -4.147 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.693 -5.055 -1.932 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.468 -3.808 -2.922 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.732 -4.159 -1.813 1.00 0.10 C ATOM 0 H PHE A 113 3.388 -7.102 -7.692 1.00 0.13 H new ATOM 0 HA PHE A 113 4.110 -7.559 -5.065 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.335 -5.396 -6.390 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.740 -5.818 -5.798 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.593 -6.320 -3.235 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.749 -4.079 -5.015 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.108 -5.322 -1.064 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.280 -3.102 -2.830 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.969 -3.732 -0.850 1.00 0.10 H new ATOM 1334 N LEU A 114 1.017 -8.528 -5.656 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.102 -9.232 -5.030 1.00 0.17 C ATOM 1336 C LEU A 114 0.191 -10.716 -4.909 1.00 0.22 C ATOM 1337 O LEU A 114 -0.427 -11.416 -4.113 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.416 -9.023 -5.768 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.662 -7.631 -6.345 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.147 -7.364 -6.416 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.984 -6.534 -5.555 1.00 0.50 C ATOM 0 H LEU A 114 0.888 -8.293 -6.640 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.215 -8.803 -4.034 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.467 -9.744 -6.584 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.232 -9.257 -5.084 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.225 -7.620 -7.343 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.319 -6.370 -6.828 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.620 -8.109 -7.056 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.575 -7.421 -5.415 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.197 -5.569 -6.015 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.359 -6.538 -4.531 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.093 -6.703 -5.548 1.00 0.50 H new ATOM 1353 N GLU A 115 1.108 -11.197 -5.733 1.00 0.22 N ATOM 1354 CA GLU A 115 1.633 -12.542 -5.583 1.00 0.28 C ATOM 1355 C GLU A 115 2.757 -12.533 -4.553 1.00 0.27 C ATOM 1356 O GLU A 115 3.222 -13.576 -4.089 1.00 0.37 O ATOM 1357 CB GLU A 115 2.160 -13.060 -6.917 1.00 0.37 C ATOM 1358 CG GLU A 115 1.074 -13.274 -7.955 1.00 0.48 C ATOM 1359 CD GLU A 115 0.094 -14.351 -7.550 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.530 -15.499 -7.324 1.00 1.81 O ATOM 1361 OE2 GLU A 115 -1.113 -14.049 -7.443 1.00 2.21 O ATOM 0 H GLU A 115 1.504 -10.674 -6.514 1.00 0.22 H new ATOM 0 HA GLU A 115 0.832 -13.200 -5.247 1.00 0.28 H new ATOM 0 HB2 GLU A 115 2.892 -12.353 -7.309 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.683 -14.002 -6.751 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.537 -12.339 -8.113 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.533 -13.543 -8.907 1.00 0.48 H new ATOM 1368 N LEU A 116 3.169 -11.325 -4.208 1.00 0.20 N ATOM 1369 CA LEU A 116 4.281 -11.081 -3.306 1.00 0.19 C ATOM 1370 C LEU A 116 3.800 -11.080 -1.852 1.00 0.22 C ATOM 1371 O LEU A 116 4.548 -11.419 -0.937 1.00 0.26 O ATOM 1372 CB LEU A 116 4.933 -9.751 -3.723 1.00 0.15 C ATOM 1373 CG LEU A 116 5.612 -8.929 -2.635 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.905 -8.334 -3.157 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.697 -7.820 -2.171 1.00 0.16 C ATOM 0 H LEU A 116 2.732 -10.471 -4.554 1.00 0.20 H new ATOM 0 HA LEU A 116 5.027 -11.873 -3.371 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.674 -9.966 -4.493 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.165 -9.130 -4.184 1.00 0.15 H new ATOM 0 HG LEU A 116 5.834 -9.586 -1.794 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.380 -7.749 -2.370 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.575 -9.136 -3.468 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.691 -7.689 -4.009 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.194 -7.240 -1.393 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.458 -7.170 -3.012 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.778 -8.249 -1.772 1.00 0.16 H new ATOM 1387 N ALA A 117 2.537 -10.725 -1.662 1.00 0.21 N ATOM 1388 CA ALA A 117 1.891 -10.795 -0.355 1.00 0.22 C ATOM 1389 C ALA A 117 0.562 -11.529 -0.498 1.00 0.23 C ATOM 1390 O ALA A 117 0.265 -12.028 -1.580 1.00 0.26 O ATOM 1391 CB ALA A 117 1.672 -9.393 0.201 1.00 0.22 C ATOM 0 H ALA A 117 1.931 -10.381 -2.407 1.00 0.21 H new ATOM 0 HA ALA A 117 2.530 -11.338 0.342 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.189 -9.460 1.176 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.633 -8.889 0.305 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.037 -8.827 -0.480 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.241 -11.662 0.572 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.636 -12.079 0.425 1.00 0.25 C ATOM 1399 C PRO A 118 -2.362 -11.188 -0.577 1.00 0.22 C ATOM 1400 O PRO A 118 -2.113 -9.984 -0.637 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.216 -11.877 1.818 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.052 -12.025 2.735 1.00 0.32 C ATOM 1403 CD PRO A 118 0.140 -11.495 1.989 1.00 0.29 C ATOM 0 HA PRO A 118 -1.734 -13.101 0.059 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.676 -10.894 1.917 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.989 -12.614 2.036 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.211 -11.469 3.659 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.905 -13.069 3.012 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.334 -10.450 2.232 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.045 -12.052 2.230 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.248 -11.792 -1.358 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.950 -11.102 -2.450 1.00 0.32 C ATOM 1413 C ASP A 119 -4.652 -9.819 -2.000 1.00 0.31 C ATOM 1414 O ASP A 119 -4.951 -8.961 -2.828 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.975 -12.027 -3.114 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.270 -12.148 -2.326 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.335 -12.980 -1.394 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.226 -11.400 -2.622 1.00 1.26 O ATOM 0 H ASP A 119 -3.505 -12.774 -1.258 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.178 -10.823 -3.167 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.199 -11.653 -4.113 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.537 -13.018 -3.235 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.922 -9.682 -0.705 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.566 -8.487 -0.189 1.00 0.32 C ATOM 1425 C PHE A 120 -4.501 -7.470 0.164 1.00 0.22 C ATOM 1426 O PHE A 120 -4.585 -6.298 -0.185 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.407 -8.833 1.044 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.317 -7.724 1.509 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.544 -6.607 0.718 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.948 -7.805 2.740 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.378 -5.596 1.149 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.784 -6.795 3.174 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.998 -5.690 2.377 1.00 1.86 C ATOM 0 H PHE A 120 -4.704 -10.384 0.002 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.229 -8.069 -0.946 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.011 -9.713 0.822 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -5.738 -9.104 1.861 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.063 -6.528 -0.246 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.784 -8.668 3.368 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.545 -4.731 0.524 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -9.269 -6.870 4.136 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.651 -4.899 2.715 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.476 -7.964 0.821 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.413 -7.148 1.350 1.00 0.17 C ATOM 1445 C VAL A 121 -1.537 -6.612 0.245 1.00 0.15 C ATOM 1446 O VAL A 121 -1.123 -5.455 0.280 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.575 -7.981 2.311 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.438 -7.158 2.888 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.488 -8.535 3.384 1.00 0.22 C ATOM 0 H VAL A 121 -3.358 -8.960 1.004 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.853 -6.300 1.874 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.110 -8.814 1.784 1.00 0.18 H new ATOM 0 HG11 VAL A 121 0.147 -7.774 3.571 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.202 -6.805 2.080 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -0.845 -6.303 3.428 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -1.906 -9.135 4.083 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -2.961 -7.712 3.919 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.255 -9.157 2.923 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.247 -7.464 -0.727 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.521 -7.028 -1.887 1.00 0.19 C ATOM 1461 C GLY A 122 -1.187 -5.844 -2.536 1.00 0.16 C ATOM 1462 O GLY A 122 -0.530 -4.863 -2.825 1.00 0.14 O ATOM 0 H GLY A 122 -1.505 -8.451 -0.727 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.498 -6.764 -1.603 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.451 -7.846 -2.604 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.500 -5.921 -2.740 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.230 -4.856 -3.421 1.00 0.19 C ATOM 1468 C ASP A 123 -3.426 -3.672 -2.486 1.00 0.13 C ATOM 1469 O ASP A 123 -3.439 -2.532 -2.923 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.575 -5.355 -3.961 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.306 -4.305 -4.781 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.915 -4.063 -5.941 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.259 -3.690 -4.255 1.00 1.07 O ATOM 0 H ASP A 123 -3.078 -6.707 -2.444 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.636 -4.531 -4.276 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.409 -6.239 -4.576 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.205 -5.661 -3.126 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.609 -3.954 -1.202 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.602 -2.913 -0.179 1.00 0.10 C ATOM 1480 C ILE A 124 -2.330 -2.086 -0.262 1.00 0.09 C ATOM 1481 O ILE A 124 -2.368 -0.866 -0.472 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.777 -3.516 1.237 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.263 -3.714 1.530 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.144 -2.625 2.301 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.534 -4.387 2.860 1.00 0.22 C ATOM 0 H ILE A 124 -3.764 -4.896 -0.843 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.450 -2.255 -0.366 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.269 -4.480 1.265 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.760 -2.744 1.515 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.706 -4.311 0.733 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.284 -3.076 3.283 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.078 -2.518 2.099 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.617 -1.643 2.282 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.609 -4.495 3.001 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.066 -5.371 2.872 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.122 -3.780 3.666 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.209 -2.747 -0.111 1.00 0.08 N ATOM 1498 CA LEU A 125 0.062 -2.103 -0.263 1.00 0.08 C ATOM 1499 C LEU A 125 0.236 -1.566 -1.674 1.00 0.09 C ATOM 1500 O LEU A 125 0.720 -0.460 -1.853 1.00 0.10 O ATOM 1501 CB LEU A 125 1.162 -3.076 0.116 1.00 0.08 C ATOM 1502 CG LEU A 125 1.537 -3.026 1.585 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.465 -4.171 1.943 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.184 -1.688 1.891 1.00 0.09 C ATOM 0 H LEU A 125 -1.157 -3.739 0.119 1.00 0.08 H new ATOM 0 HA LEU A 125 0.117 -1.243 0.404 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.843 -4.088 -0.135 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.047 -2.863 -0.484 1.00 0.08 H new ATOM 0 HG LEU A 125 0.636 -3.133 2.189 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.721 -4.115 3.001 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.968 -5.119 1.740 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.374 -4.103 1.346 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.455 -1.648 2.946 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.080 -1.569 1.281 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.483 -0.885 1.666 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.210 -2.319 -2.665 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.119 -1.880 -4.049 1.00 0.10 C ATOM 1518 C TRP A 126 -0.913 -0.593 -4.266 1.00 0.11 C ATOM 1519 O TRP A 126 -0.487 0.269 -5.028 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.602 -2.961 -5.022 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.665 -2.464 -6.428 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.787 -2.240 -7.163 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.442 -2.084 -7.247 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.445 -1.730 -8.397 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.078 -1.629 -8.469 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.824 -2.085 -7.061 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.742 -1.170 -9.498 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.635 -1.636 -8.084 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.093 -1.182 -9.288 1.00 0.25 C ATOM 0 H TRP A 126 -0.638 -3.236 -2.538 1.00 0.09 H new ATOM 0 HA TRP A 126 0.934 -1.687 -4.254 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.068 -3.819 -4.971 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.589 -3.308 -4.716 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.796 -2.433 -6.829 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.100 -1.470 -9.135 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.253 -2.431 -6.132 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.325 -0.817 -10.429 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.707 -1.636 -7.951 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.753 -0.834 -10.068 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.064 -0.462 -3.611 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.805 0.787 -3.657 1.00 0.12 C ATOM 1542 C GLU A 127 -1.938 1.916 -3.176 1.00 0.12 C ATOM 1543 O GLU A 127 -1.656 2.818 -3.931 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.081 0.756 -2.825 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.323 0.416 -3.624 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.604 1.364 -4.764 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -5.962 2.529 -4.501 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -5.535 0.923 -5.928 1.00 0.84 O ATOM 0 H GLU A 127 -2.496 -1.197 -3.051 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.094 0.936 -4.697 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -3.964 0.026 -2.024 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.219 1.728 -2.352 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.220 -0.593 -4.023 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.182 0.408 -2.953 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.494 1.871 -1.928 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.663 2.959 -1.433 1.00 0.11 C ATOM 1557 C HIS A 128 0.592 3.083 -2.271 1.00 0.10 C ATOM 1558 O HIS A 128 1.087 4.182 -2.447 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.302 2.819 0.047 1.00 0.11 C ATOM 1560 CG HIS A 128 0.180 4.116 0.647 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.245 5.365 0.117 1.00 0.14 N flip ATOM 1562 CD2 HIS A 128 0.648 4.231 1.940 1.00 0.14 C flip ATOM 1563 CE1 HIS A 128 0.743 6.197 1.088 1.00 0.15 C flip ATOM 1564 NE2 HIS A 128 0.976 5.492 2.178 1.00 0.15 N flip ATOM 0 H HIS A 128 -1.685 1.123 -1.261 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.257 3.869 -1.522 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.174 2.468 0.599 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.472 2.060 0.159 1.00 0.11 H new ATOM 0 HD1 HIS A 128 -0.026 5.635 -0.829 1.00 0.14 H new ATOM 0 HD2 HIS A 128 0.733 3.419 2.647 1.00 0.14 H new ATOM 0 HE1 HIS A 128 0.916 7.257 0.978 1.00 0.15 H new ATOM 1573 N LEU A 129 1.102 1.976 -2.792 1.00 0.10 N ATOM 1574 CA LEU A 129 2.192 2.031 -3.750 1.00 0.12 C ATOM 1575 C LEU A 129 1.785 2.909 -4.909 1.00 0.15 C ATOM 1576 O LEU A 129 2.494 3.850 -5.282 1.00 0.18 O ATOM 1577 CB LEU A 129 2.543 0.619 -4.243 1.00 0.11 C ATOM 1578 CG LEU A 129 3.719 0.527 -5.218 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.756 1.575 -4.880 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.354 -0.848 -5.139 1.00 0.13 C ATOM 0 H LEU A 129 0.779 1.035 -2.568 1.00 0.10 H new ATOM 0 HA LEU A 129 3.077 2.451 -3.271 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.765 -0.003 -3.376 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.662 0.193 -4.724 1.00 0.11 H new ATOM 0 HG LEU A 129 3.347 0.697 -6.228 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.589 1.502 -5.579 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.308 2.566 -4.952 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.119 1.413 -3.865 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.190 -0.903 -5.837 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.715 -1.025 -4.126 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.614 -1.606 -5.398 1.00 0.13 H new ATOM 1592 N GLU A 130 0.618 2.622 -5.440 1.00 0.17 N ATOM 1593 CA GLU A 130 0.090 3.373 -6.540 1.00 0.23 C ATOM 1594 C GLU A 130 -0.160 4.815 -6.115 1.00 0.25 C ATOM 1595 O GLU A 130 0.112 5.748 -6.856 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.208 2.732 -7.061 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.724 3.354 -8.348 1.00 0.69 C ATOM 1598 CD GLU A 130 -3.137 2.925 -8.684 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.304 1.897 -9.370 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -4.086 3.626 -8.276 1.00 1.73 O ATOM 0 H GLU A 130 0.016 1.864 -5.119 1.00 0.17 H new ATOM 0 HA GLU A 130 0.820 3.367 -7.349 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.037 1.668 -7.226 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.977 2.816 -6.294 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.691 4.440 -8.260 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -1.061 3.080 -9.169 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.679 4.967 -4.909 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.955 6.265 -4.317 1.00 0.21 C ATOM 1609 C ILE A 131 0.331 7.098 -4.135 1.00 0.22 C ATOM 1610 O ILE A 131 0.356 8.279 -4.451 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.694 6.103 -2.969 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.212 5.927 -3.171 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.454 7.310 -2.076 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.631 4.825 -4.122 1.00 0.23 C ATOM 0 H ILE A 131 -0.924 4.182 -4.305 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.601 6.808 -5.007 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.295 5.207 -2.494 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.668 5.735 -2.200 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.622 6.869 -3.535 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.983 7.175 -1.133 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.386 7.413 -1.882 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.820 8.209 -2.572 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.719 4.794 -4.186 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.215 5.020 -5.110 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.262 3.868 -3.755 1.00 0.23 H new ATOM 1626 N LEU A 132 1.404 6.492 -3.636 1.00 0.18 N ATOM 1627 CA LEU A 132 2.671 7.223 -3.483 1.00 0.20 C ATOM 1628 C LEU A 132 3.086 7.772 -4.830 1.00 0.25 C ATOM 1629 O LEU A 132 3.584 8.891 -4.947 1.00 0.29 O ATOM 1630 CB LEU A 132 3.806 6.344 -2.966 1.00 0.21 C ATOM 1631 CG LEU A 132 3.511 5.517 -1.729 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.105 4.148 -1.934 1.00 0.23 C ATOM 1633 CD2 LEU A 132 4.084 6.152 -0.463 1.00 0.25 C ATOM 0 H LEU A 132 1.430 5.518 -3.335 1.00 0.18 H new ATOM 0 HA LEU A 132 2.497 8.014 -2.753 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.105 5.667 -3.766 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.663 6.983 -2.753 1.00 0.21 H new ATOM 0 HG LEU A 132 2.431 5.459 -1.591 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.907 3.531 -1.058 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.657 3.685 -2.813 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.182 4.237 -2.080 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.848 5.525 0.397 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.166 6.244 -0.560 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.647 7.141 -0.322 1.00 0.25 H new ATOM 1645 N GLN A 133 2.854 6.959 -5.845 1.00 0.28 N ATOM 1646 CA GLN A 133 3.098 7.355 -7.210 1.00 0.38 C ATOM 1647 C GLN A 133 2.105 8.435 -7.612 1.00 0.37 C ATOM 1648 O GLN A 133 2.502 9.472 -8.130 1.00 0.47 O ATOM 1649 CB GLN A 133 3.006 6.145 -8.141 1.00 0.58 C ATOM 1650 CG GLN A 133 4.327 5.405 -8.309 1.00 0.79 C ATOM 1651 CD GLN A 133 4.150 3.916 -8.548 1.00 0.65 C ATOM 1652 OE1 GLN A 133 4.910 3.299 -9.294 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.191 3.321 -7.861 1.00 0.31 N ATOM 0 H GLN A 133 2.493 6.011 -5.742 1.00 0.28 H new ATOM 0 HA GLN A 133 4.106 7.761 -7.294 1.00 0.38 H new ATOM 0 HB2 GLN A 133 2.258 5.454 -7.752 1.00 0.58 H new ATOM 0 HB3 GLN A 133 2.657 6.475 -9.119 1.00 0.58 H new ATOM 0 HG2 GLN A 133 4.875 5.838 -9.145 1.00 0.79 H new ATOM 0 HG3 GLN A 133 4.936 5.554 -7.417 1.00 0.79 H new ATOM 0 HE21 GLN A 133 2.583 3.870 -7.254 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.059 2.313 -7.938 1.00 0.31 H new ATOM 1662 N LYS A 134 0.816 8.206 -7.337 1.00 0.36 N ATOM 1663 CA LYS A 134 -0.252 9.146 -7.659 1.00 0.44 C ATOM 1664 C LYS A 134 0.023 10.549 -7.136 1.00 0.50 C ATOM 1665 O LYS A 134 -0.381 11.533 -7.757 1.00 0.61 O ATOM 1666 CB LYS A 134 -1.591 8.589 -7.131 1.00 0.49 C ATOM 1667 CG LYS A 134 -2.436 9.544 -6.289 1.00 1.04 C ATOM 1668 CD LYS A 134 -2.073 9.490 -4.809 1.00 1.77 C ATOM 1669 CE LYS A 134 -3.025 10.314 -3.960 1.00 2.51 C ATOM 1670 NZ LYS A 134 -2.958 11.766 -4.278 1.00 3.42 N ATOM 0 H LYS A 134 0.487 7.355 -6.881 1.00 0.36 H new ATOM 0 HA LYS A 134 -0.306 9.246 -8.743 1.00 0.44 H new ATOM 0 HB2 LYS A 134 -2.187 8.266 -7.984 1.00 0.49 H new ATOM 0 HB3 LYS A 134 -1.381 7.701 -6.534 1.00 0.49 H new ATOM 0 HG2 LYS A 134 -2.304 10.562 -6.656 1.00 1.04 H new ATOM 0 HG3 LYS A 134 -3.490 9.296 -6.411 1.00 1.04 H new ATOM 0 HD2 LYS A 134 -2.088 8.454 -4.469 1.00 1.77 H new ATOM 0 HD3 LYS A 134 -1.055 9.856 -4.672 1.00 1.77 H new ATOM 0 HE2 LYS A 134 -4.044 9.958 -4.113 1.00 2.51 H new ATOM 0 HE3 LYS A 134 -2.790 10.165 -2.906 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 -3.650 12.281 -3.697 1.00 3.42 H new ATOM 0 HZ2 LYS A 134 -2.002 12.122 -4.075 1.00 3.42 H new ATOM 0 HZ3 LYS A 134 -3.175 11.911 -5.285 1.00 3.42 H new ATOM 1684 N GLU A 135 0.721 10.641 -6.008 1.00 0.57 N ATOM 1685 CA GLU A 135 1.054 11.922 -5.409 1.00 0.78 C ATOM 1686 C GLU A 135 1.793 12.819 -6.396 1.00 0.87 C ATOM 1687 O GLU A 135 1.653 14.042 -6.360 1.00 1.08 O ATOM 1688 CB GLU A 135 1.913 11.700 -4.170 1.00 0.91 C ATOM 1689 CG GLU A 135 1.475 12.530 -2.978 1.00 1.30 C ATOM 1690 CD GLU A 135 0.026 12.284 -2.610 1.00 1.73 C ATOM 1691 OE1 GLU A 135 -0.856 12.984 -3.155 1.00 2.15 O ATOM 1692 OE2 GLU A 135 -0.241 11.386 -1.787 1.00 2.31 O ATOM 0 H GLU A 135 1.068 9.834 -5.489 1.00 0.57 H new ATOM 0 HA GLU A 135 0.125 12.420 -5.129 1.00 0.78 H new ATOM 0 HB2 GLU A 135 1.882 10.645 -3.900 1.00 0.91 H new ATOM 0 HB3 GLU A 135 2.950 11.938 -4.408 1.00 0.91 H new ATOM 0 HG2 GLU A 135 2.110 12.298 -2.123 1.00 1.30 H new ATOM 0 HG3 GLU A 135 1.617 13.587 -3.202 1.00 1.30 H new ATOM 1699 N ASP A 136 2.570 12.204 -7.278 1.00 0.86 N ATOM 1700 CA ASP A 136 3.298 12.938 -8.301 1.00 1.09 C ATOM 1701 C ASP A 136 3.598 12.024 -9.487 1.00 1.29 C ATOM 1702 O ASP A 136 4.752 11.762 -9.820 1.00 1.78 O ATOM 1703 CB ASP A 136 4.590 13.525 -7.722 1.00 1.62 C ATOM 1704 CG ASP A 136 5.348 14.391 -8.711 1.00 1.94 C ATOM 1705 OD1 ASP A 136 4.710 15.183 -9.435 1.00 2.53 O ATOM 1706 OD2 ASP A 136 6.594 14.300 -8.751 1.00 2.14 O ATOM 0 H ASP A 136 2.712 11.194 -7.304 1.00 0.86 H new ATOM 0 HA ASP A 136 2.679 13.765 -8.651 1.00 1.09 H new ATOM 0 HB2 ASP A 136 4.349 14.118 -6.840 1.00 1.62 H new ATOM 0 HB3 ASP A 136 5.236 12.711 -7.392 1.00 1.62 H new ATOM 1711 N VAL A 137 2.540 11.499 -10.089 1.00 1.29 N ATOM 1712 CA VAL A 137 2.674 10.697 -11.301 1.00 1.83 C ATOM 1713 C VAL A 137 1.805 11.271 -12.421 1.00 2.01 C ATOM 1714 O VAL A 137 2.169 11.217 -13.596 1.00 2.52 O ATOM 1715 CB VAL A 137 2.312 9.208 -11.052 1.00 2.28 C ATOM 1716 CG1 VAL A 137 0.816 9.026 -10.848 1.00 2.82 C ATOM 1717 CG2 VAL A 137 2.815 8.329 -12.186 1.00 2.60 C ATOM 0 H VAL A 137 1.581 11.612 -9.761 1.00 1.29 H new ATOM 0 HA VAL A 137 3.720 10.737 -11.604 1.00 1.83 H new ATOM 0 HB VAL A 137 2.811 8.897 -10.134 1.00 2.28 H new ATOM 0 HG11 VAL A 137 0.598 7.972 -10.676 1.00 2.82 H new ATOM 0 HG12 VAL A 137 0.493 9.609 -9.985 1.00 2.82 H new ATOM 0 HG13 VAL A 137 0.284 9.367 -11.736 1.00 2.82 H new ATOM 0 HG21 VAL A 137 2.549 7.291 -11.987 1.00 2.60 H new ATOM 0 HG22 VAL A 137 2.359 8.648 -13.123 1.00 2.60 H new ATOM 0 HG23 VAL A 137 3.899 8.417 -12.262 1.00 2.60 H new ATOM 1727 N LYS A 138 0.665 11.839 -12.053 1.00 2.28 N ATOM 1728 CA LYS A 138 -0.230 12.444 -13.025 1.00 2.78 C ATOM 1729 C LYS A 138 -0.868 13.687 -12.426 1.00 3.41 C ATOM 1730 O LYS A 138 -1.991 13.577 -11.881 1.00 4.06 O ATOM 1731 CB LYS A 138 -1.321 11.459 -13.449 1.00 3.26 C ATOM 1732 CG LYS A 138 -2.102 11.913 -14.674 1.00 3.81 C ATOM 1733 CD LYS A 138 -3.456 11.225 -14.773 1.00 4.63 C ATOM 1734 CE LYS A 138 -4.542 11.992 -14.024 1.00 5.26 C ATOM 1735 NZ LYS A 138 -4.254 12.124 -12.570 1.00 5.57 N ATOM 1736 OXT LYS A 138 -0.227 14.755 -12.461 1.00 3.77 O ATOM 0 H LYS A 138 0.339 11.893 -11.088 1.00 2.28 H new ATOM 0 HA LYS A 138 0.350 12.716 -13.907 1.00 2.78 H new ATOM 0 HB2 LYS A 138 -0.865 10.491 -13.656 1.00 3.26 H new ATOM 0 HB3 LYS A 138 -2.013 11.315 -12.619 1.00 3.26 H new ATOM 0 HG2 LYS A 138 -2.246 12.993 -14.633 1.00 3.81 H new ATOM 0 HG3 LYS A 138 -1.522 11.703 -15.572 1.00 3.81 H new ATOM 0 HD2 LYS A 138 -3.738 11.128 -15.821 1.00 4.63 H new ATOM 0 HD3 LYS A 138 -3.380 10.216 -14.369 1.00 4.63 H new ATOM 0 HE2 LYS A 138 -4.647 12.985 -14.461 1.00 5.26 H new ATOM 0 HE3 LYS A 138 -5.497 11.483 -14.156 1.00 5.26 H new ATOM 0 HZ1 LYS A 138 -5.087 12.515 -12.085 1.00 5.57 H new ATOM 0 HZ2 LYS A 138 -4.030 11.189 -12.174 1.00 5.57 H new ATOM 0 HZ3 LYS A 138 -3.443 12.761 -12.433 1.00 5.57 H new TER 1750 LYS A 138