USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=30 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 73 THR OG1 : rot -72:sc= 0.448 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -1.36! X(o=-0.91!,f=-1.3) USER MOD Set 2.1: A 60 GLN : amide:sc= -6.09! C(o=-8.4!,f=-12!) USER MOD Set 2.2: A 61 GLN : amide:sc= -2.26! C(o=-8.4!,f=-14!) USER MOD Single : A 29 MET CE :methyl 160:sc= -0.0356 (180deg=-0.369) USER MOD Single : A 31 CYS SG : rot 180:sc=-0.00372 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+ 172:sc= 2.29 (180deg=1.86) USER MOD Single : A 44 MET CE :methyl -138:sc= -0.664 (180deg=-1.78) USER MOD Single : A 45 MET CE :methyl -157:sc= -9.62! (180deg=-12.7!) USER MOD Single : A 46 SER OG : rot -139:sc= 0.983 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 1.19 (180deg=1.17) USER MOD Single : A 52 THR OG1 : rot -39:sc= -0.0515 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 85:sc= 0.291 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0352) USER MOD Single : A 67 LYS NZ :NH3+ 147:sc= -0.337 (180deg=-2.79!) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.23! C(o=-10!,f=-9.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 150:sc= -0.147 (180deg=-0.906) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.13 F(o=-2.1,f=-1.1) USER MOD Single : A 89 SER OG : rot -58:sc= 0.19 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.3) USER MOD Single : A 97 LYS NZ :NH3+ -108:sc= -0.31 (180deg=-2.28) USER MOD Single : A 99 CYS SG : rot 180:sc= -1.89! USER MOD Single : A 100 MET CE :methyl -114:sc= -1.69 (180deg=-3.59!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -170:sc= -0.0889 USER MOD Single : A 110 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0171) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 HIS :FLIP no HE2:sc= -3.19! C(o=-4.3!,f=-3.2!) USER MOD Single : A 133 GLN : amide:sc= -1.48! X(o=-1.5!,f=-1) USER MOD Single : A 134 LYS NZ :NH3+ 130:sc= -0.241 (180deg=-1.26) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 29 -29.917 3.569 4.752 1.00 15.50 N ATOM 2 CA MET A 29 -31.311 3.763 5.224 1.00 14.89 C ATOM 3 C MET A 29 -31.811 5.168 4.897 1.00 14.63 C ATOM 4 O MET A 29 -33.007 5.449 4.977 1.00 14.97 O ATOM 5 CB MET A 29 -31.380 3.531 6.738 1.00 14.83 C ATOM 6 CG MET A 29 -30.742 4.645 7.553 1.00 15.02 C ATOM 7 SD MET A 29 -30.475 4.192 9.275 1.00 15.45 S ATOM 8 CE MET A 29 -29.107 3.047 9.102 1.00 15.28 C ATOM 0 HA MET A 29 -31.949 3.044 4.711 1.00 14.89 H new ATOM 0 HB2 MET A 29 -32.424 3.427 7.034 1.00 14.83 H new ATOM 0 HB3 MET A 29 -30.886 2.589 6.976 1.00 14.83 H new ATOM 0 HG2 MET A 29 -29.787 4.917 7.102 1.00 15.02 H new ATOM 0 HG3 MET A 29 -31.378 5.529 7.510 1.00 15.02 H new ATOM 0 HE1 MET A 29 -28.593 2.947 10.058 1.00 15.28 H new ATOM 0 HE2 MET A 29 -29.485 2.073 8.790 1.00 15.28 H new ATOM 0 HE3 MET A 29 -28.410 3.423 8.353 1.00 15.28 H new ATOM 20 N GLU A 30 -30.888 6.045 4.536 1.00 14.20 N ATOM 21 CA GLU A 30 -31.205 7.438 4.278 1.00 14.13 C ATOM 22 C GLU A 30 -31.798 7.638 2.886 1.00 14.36 C ATOM 23 O GLU A 30 -31.227 7.194 1.889 1.00 14.15 O ATOM 24 CB GLU A 30 -29.949 8.316 4.454 1.00 13.38 C ATOM 25 CG GLU A 30 -28.784 7.983 3.515 1.00 12.84 C ATOM 26 CD GLU A 30 -28.080 6.673 3.837 1.00 13.13 C ATOM 27 OE1 GLU A 30 -28.327 6.115 4.923 1.00 13.36 O ATOM 28 OE2 GLU A 30 -27.269 6.198 3.015 1.00 13.30 O ATOM 0 H GLU A 30 -29.903 5.812 4.414 1.00 14.20 H new ATOM 0 HA GLU A 30 -31.959 7.742 5.004 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -30.230 9.358 4.303 1.00 13.38 H new ATOM 0 HB3 GLU A 30 -29.603 8.225 5.483 1.00 13.38 H new ATOM 0 HG2 GLU A 30 -29.157 7.940 2.492 1.00 12.84 H new ATOM 0 HG3 GLU A 30 -28.056 8.793 3.555 1.00 12.84 H new ATOM 35 N CYS A 31 -32.965 8.288 2.846 1.00 14.95 N ATOM 36 CA CYS A 31 -33.595 8.729 1.597 1.00 15.43 C ATOM 37 C CYS A 31 -34.158 7.562 0.781 1.00 15.40 C ATOM 38 O CYS A 31 -33.859 6.395 1.042 1.00 15.27 O ATOM 39 CB CYS A 31 -32.592 9.527 0.760 1.00 16.40 C ATOM 40 SG CYS A 31 -31.827 10.900 1.654 1.00 17.05 S ATOM 0 H CYS A 31 -33.501 8.524 3.681 1.00 14.95 H new ATOM 0 HA CYS A 31 -34.438 9.366 1.865 1.00 15.43 H new ATOM 0 HB2 CYS A 31 -31.810 8.854 0.408 1.00 16.40 H new ATOM 0 HB3 CYS A 31 -33.098 9.917 -0.123 1.00 16.40 H new ATOM 0 HG CYS A 31 -30.993 11.517 0.871 1.00 17.05 H new ATOM 46 N ALA A 32 -35.006 7.889 -0.191 1.00 15.67 N ATOM 47 CA ALA A 32 -35.518 6.899 -1.129 1.00 15.86 C ATOM 48 C ALA A 32 -34.454 6.600 -2.170 1.00 15.04 C ATOM 49 O ALA A 32 -34.382 5.500 -2.716 1.00 15.00 O ATOM 50 CB ALA A 32 -36.794 7.390 -1.795 1.00 16.57 C ATOM 0 H ALA A 32 -35.353 8.835 -0.348 1.00 15.67 H new ATOM 0 HA ALA A 32 -35.760 5.986 -0.585 1.00 15.86 H new ATOM 0 HB1 ALA A 32 -37.156 6.633 -2.491 1.00 16.57 H new ATOM 0 HB2 ALA A 32 -37.553 7.577 -1.035 1.00 16.57 H new ATOM 0 HB3 ALA A 32 -36.589 8.313 -2.338 1.00 16.57 H new ATOM 56 N ASP A 33 -33.615 7.596 -2.422 1.00 14.54 N ATOM 57 CA ASP A 33 -32.436 7.426 -3.258 1.00 13.85 C ATOM 58 C ASP A 33 -31.289 6.898 -2.392 1.00 12.87 C ATOM 59 O ASP A 33 -30.134 7.300 -2.523 1.00 12.61 O ATOM 60 CB ASP A 33 -32.072 8.761 -3.920 1.00 14.29 C ATOM 61 CG ASP A 33 -30.889 8.665 -4.862 1.00 14.46 C ATOM 62 OD1 ASP A 33 -30.839 7.701 -5.657 1.00 14.65 O ATOM 63 OD2 ASP A 33 -29.996 9.534 -4.802 1.00 14.55 O ATOM 0 H ASP A 33 -33.732 8.540 -2.054 1.00 14.54 H new ATOM 0 HA ASP A 33 -32.634 6.706 -4.052 1.00 13.85 H new ATOM 0 HB2 ASP A 33 -32.936 9.132 -4.471 1.00 14.29 H new ATOM 0 HB3 ASP A 33 -31.850 9.494 -3.144 1.00 14.29 H new ATOM 68 N VAL A 34 -31.654 6.005 -1.482 1.00 12.51 N ATOM 69 CA VAL A 34 -30.733 5.411 -0.523 1.00 11.75 C ATOM 70 C VAL A 34 -29.525 4.758 -1.205 1.00 10.55 C ATOM 71 O VAL A 34 -29.667 3.816 -1.988 1.00 10.22 O ATOM 72 CB VAL A 34 -31.476 4.377 0.364 1.00 12.12 C ATOM 73 CG1 VAL A 34 -32.236 3.366 -0.482 1.00 12.06 C ATOM 74 CG2 VAL A 34 -30.517 3.669 1.305 1.00 12.37 C ATOM 0 H VAL A 34 -32.612 5.668 -1.388 1.00 12.51 H new ATOM 0 HA VAL A 34 -30.352 6.217 0.104 1.00 11.75 H new ATOM 0 HB VAL A 34 -32.200 4.927 0.966 1.00 12.12 H new ATOM 0 HG11 VAL A 34 -32.745 2.656 0.170 1.00 12.06 H new ATOM 0 HG12 VAL A 34 -32.971 3.885 -1.097 1.00 12.06 H new ATOM 0 HG13 VAL A 34 -31.537 2.831 -1.125 1.00 12.06 H new ATOM 0 HG21 VAL A 34 -31.067 2.951 1.913 1.00 12.37 H new ATOM 0 HG22 VAL A 34 -29.757 3.146 0.724 1.00 12.37 H new ATOM 0 HG23 VAL A 34 -30.037 4.401 1.954 1.00 12.37 H new ATOM 84 N PRO A 35 -28.318 5.282 -0.940 1.00 10.03 N ATOM 85 CA PRO A 35 -27.076 4.709 -1.458 1.00 8.95 C ATOM 86 C PRO A 35 -26.764 3.372 -0.809 1.00 8.28 C ATOM 87 O PRO A 35 -26.675 3.262 0.417 1.00 8.57 O ATOM 88 CB PRO A 35 -26.007 5.741 -1.085 1.00 9.02 C ATOM 89 CG PRO A 35 -26.770 6.969 -0.736 1.00 10.14 C ATOM 90 CD PRO A 35 -28.063 6.487 -0.150 1.00 10.65 C ATOM 0 HA PRO A 35 -27.133 4.516 -2.529 1.00 8.95 H new ATOM 0 HB2 PRO A 35 -25.403 5.399 -0.245 1.00 9.02 H new ATOM 0 HB3 PRO A 35 -25.325 5.922 -1.916 1.00 9.02 H new ATOM 0 HG2 PRO A 35 -26.220 7.582 -0.022 1.00 10.14 H new ATOM 0 HG3 PRO A 35 -26.945 7.586 -1.618 1.00 10.14 H new ATOM 0 HD2 PRO A 35 -27.973 6.267 0.914 1.00 10.65 H new ATOM 0 HD3 PRO A 35 -28.860 7.223 -0.257 1.00 10.65 H new ATOM 98 N LEU A 36 -26.600 2.362 -1.638 1.00 7.62 N ATOM 99 CA LEU A 36 -26.326 1.017 -1.158 1.00 7.19 C ATOM 100 C LEU A 36 -24.993 0.504 -1.685 1.00 6.10 C ATOM 101 O LEU A 36 -24.659 0.687 -2.857 1.00 6.10 O ATOM 102 CB LEU A 36 -27.447 0.059 -1.564 1.00 7.86 C ATOM 103 CG LEU A 36 -28.812 0.345 -0.937 1.00 8.90 C ATOM 104 CD1 LEU A 36 -29.840 -0.653 -1.437 1.00 9.33 C ATOM 105 CD2 LEU A 36 -28.729 0.310 0.582 1.00 9.55 C ATOM 0 H LEU A 36 -26.651 2.445 -2.653 1.00 7.62 H new ATOM 0 HA LEU A 36 -26.273 1.061 -0.070 1.00 7.19 H new ATOM 0 HB2 LEU A 36 -27.551 0.087 -2.649 1.00 7.86 H new ATOM 0 HB3 LEU A 36 -27.149 -0.955 -1.298 1.00 7.86 H new ATOM 0 HG LEU A 36 -29.123 1.346 -1.235 1.00 8.90 H new ATOM 0 HD11 LEU A 36 -30.807 -0.438 -0.983 1.00 9.33 H new ATOM 0 HD12 LEU A 36 -29.923 -0.577 -2.521 1.00 9.33 H new ATOM 0 HD13 LEU A 36 -29.529 -1.662 -1.167 1.00 9.33 H new ATOM 0 HD21 LEU A 36 -29.712 0.516 1.005 1.00 9.55 H new ATOM 0 HD22 LEU A 36 -28.394 -0.676 0.905 1.00 9.55 H new ATOM 0 HD23 LEU A 36 -28.021 1.064 0.925 1.00 9.55 H new ATOM 117 N LEU A 37 -24.241 -0.131 -0.798 1.00 5.42 N ATOM 118 CA LEU A 37 -22.972 -0.751 -1.143 1.00 4.46 C ATOM 119 C LEU A 37 -22.660 -1.840 -0.125 1.00 3.64 C ATOM 120 O LEU A 37 -23.119 -1.774 1.013 1.00 3.66 O ATOM 121 CB LEU A 37 -21.821 0.293 -1.256 1.00 4.57 C ATOM 122 CG LEU A 37 -21.409 1.109 0.002 1.00 4.91 C ATOM 123 CD1 LEU A 37 -22.592 1.799 0.664 1.00 5.34 C ATOM 124 CD2 LEU A 37 -20.652 0.255 1.007 1.00 5.26 C ATOM 0 H LEU A 37 -24.496 -0.231 0.185 1.00 5.42 H new ATOM 0 HA LEU A 37 -23.056 -1.203 -2.131 1.00 4.46 H new ATOM 0 HB2 LEU A 37 -20.935 -0.233 -1.610 1.00 4.57 H new ATOM 0 HB3 LEU A 37 -22.100 1.006 -2.032 1.00 4.57 H new ATOM 0 HG LEU A 37 -20.736 1.890 -0.352 1.00 4.91 H new ATOM 0 HD11 LEU A 37 -22.248 2.354 1.537 1.00 5.34 H new ATOM 0 HD12 LEU A 37 -23.055 2.486 -0.044 1.00 5.34 H new ATOM 0 HD13 LEU A 37 -23.322 1.052 0.974 1.00 5.34 H new ATOM 0 HD21 LEU A 37 -20.382 0.863 1.871 1.00 5.26 H new ATOM 0 HD22 LEU A 37 -21.283 -0.574 1.329 1.00 5.26 H new ATOM 0 HD23 LEU A 37 -19.747 -0.137 0.543 1.00 5.26 H new ATOM 136 N THR A 38 -21.918 -2.854 -0.535 1.00 3.22 N ATOM 137 CA THR A 38 -21.586 -3.947 0.361 1.00 2.61 C ATOM 138 C THR A 38 -20.076 -4.059 0.538 1.00 1.98 C ATOM 139 O THR A 38 -19.363 -4.481 -0.371 1.00 2.04 O ATOM 140 CB THR A 38 -22.146 -5.283 -0.163 1.00 2.96 C ATOM 141 OG1 THR A 38 -23.540 -5.134 -0.474 1.00 3.50 O ATOM 142 CG2 THR A 38 -21.969 -6.393 0.865 1.00 3.43 C ATOM 0 H THR A 38 -21.536 -2.943 -1.477 1.00 3.22 H new ATOM 0 HA THR A 38 -22.043 -3.731 1.327 1.00 2.61 H new ATOM 0 HB THR A 38 -21.593 -5.556 -1.062 1.00 2.96 H new ATOM 0 HG1 THR A 38 -23.893 -5.985 -0.809 1.00 3.50 H new ATOM 0 HG21 THR A 38 -22.373 -7.324 0.468 1.00 3.43 H new ATOM 0 HG22 THR A 38 -20.909 -6.521 1.083 1.00 3.43 H new ATOM 0 HG23 THR A 38 -22.498 -6.129 1.781 1.00 3.43 H new ATOM 150 N PRO A 39 -19.575 -3.662 1.712 1.00 1.65 N ATOM 151 CA PRO A 39 -18.160 -3.732 2.038 1.00 1.21 C ATOM 152 C PRO A 39 -17.763 -5.097 2.574 1.00 1.17 C ATOM 153 O PRO A 39 -18.287 -5.544 3.596 1.00 1.62 O ATOM 154 CB PRO A 39 -17.988 -2.671 3.141 1.00 1.47 C ATOM 155 CG PRO A 39 -19.358 -2.136 3.434 1.00 1.97 C ATOM 156 CD PRO A 39 -20.341 -3.095 2.822 1.00 2.07 C ATOM 0 HA PRO A 39 -17.536 -3.564 1.160 1.00 1.21 H new ATOM 0 HB2 PRO A 39 -17.543 -3.109 4.035 1.00 1.47 H new ATOM 0 HB3 PRO A 39 -17.322 -1.873 2.812 1.00 1.47 H new ATOM 0 HG2 PRO A 39 -19.518 -2.052 4.509 1.00 1.97 H new ATOM 0 HG3 PRO A 39 -19.480 -1.137 3.015 1.00 1.97 H new ATOM 0 HD2 PRO A 39 -20.657 -3.861 3.531 1.00 2.07 H new ATOM 0 HD3 PRO A 39 -21.242 -2.588 2.477 1.00 2.07 H new ATOM 164 N SER A 40 -16.873 -5.783 1.879 1.00 0.90 N ATOM 165 CA SER A 40 -16.330 -7.016 2.411 1.00 0.95 C ATOM 166 C SER A 40 -14.814 -7.079 2.250 1.00 0.90 C ATOM 167 O SER A 40 -14.089 -7.110 3.246 1.00 0.97 O ATOM 168 CB SER A 40 -16.989 -8.217 1.738 1.00 1.11 C ATOM 169 OG SER A 40 -18.389 -8.223 1.975 1.00 1.74 O ATOM 0 H SER A 40 -16.517 -5.513 0.962 1.00 0.90 H new ATOM 0 HA SER A 40 -16.548 -7.043 3.479 1.00 0.95 H new ATOM 0 HB2 SER A 40 -16.797 -8.189 0.665 1.00 1.11 H new ATOM 0 HB3 SER A 40 -16.548 -9.139 2.116 1.00 1.11 H new ATOM 0 HG SER A 40 -18.792 -9.000 1.534 1.00 1.74 H new ATOM 175 N SER A 41 -14.325 -7.105 1.015 1.00 0.87 N ATOM 176 CA SER A 41 -12.887 -7.148 0.802 1.00 0.90 C ATOM 177 C SER A 41 -12.277 -5.754 0.618 1.00 0.76 C ATOM 178 O SER A 41 -11.601 -5.238 1.504 1.00 0.83 O ATOM 179 CB SER A 41 -12.562 -8.027 -0.412 1.00 1.08 C ATOM 180 OG SER A 41 -11.164 -8.215 -0.557 1.00 1.76 O ATOM 0 H SER A 41 -14.889 -7.097 0.165 1.00 0.87 H new ATOM 0 HA SER A 41 -12.442 -7.577 1.700 1.00 0.90 H new ATOM 0 HB2 SER A 41 -13.051 -8.995 -0.303 1.00 1.08 H new ATOM 0 HB3 SER A 41 -12.964 -7.566 -1.314 1.00 1.08 H new ATOM 0 HG SER A 41 -10.989 -8.781 -1.338 1.00 1.76 H new ATOM 186 N LYS A 42 -12.581 -5.118 -0.507 1.00 0.66 N ATOM 187 CA LYS A 42 -11.852 -3.921 -0.911 1.00 0.58 C ATOM 188 C LYS A 42 -12.491 -2.641 -0.391 1.00 0.51 C ATOM 189 O LYS A 42 -11.811 -1.630 -0.240 1.00 0.55 O ATOM 190 CB LYS A 42 -11.685 -3.873 -2.427 1.00 0.62 C ATOM 191 CG LYS A 42 -10.721 -2.792 -2.905 1.00 0.61 C ATOM 192 CD LYS A 42 -10.305 -3.034 -4.351 1.00 0.86 C ATOM 193 CE LYS A 42 -9.373 -1.952 -4.875 1.00 1.40 C ATOM 194 NZ LYS A 42 -8.042 -1.984 -4.215 1.00 1.90 N ATOM 0 H LYS A 42 -13.319 -5.406 -1.150 1.00 0.66 H new ATOM 0 HA LYS A 42 -10.864 -3.984 -0.454 1.00 0.58 H new ATOM 0 HB2 LYS A 42 -11.330 -4.843 -2.775 1.00 0.62 H new ATOM 0 HB3 LYS A 42 -12.660 -3.707 -2.886 1.00 0.62 H new ATOM 0 HG2 LYS A 42 -11.193 -1.814 -2.817 1.00 0.61 H new ATOM 0 HG3 LYS A 42 -9.838 -2.778 -2.266 1.00 0.61 H new ATOM 0 HD2 LYS A 42 -9.811 -4.003 -4.427 1.00 0.86 H new ATOM 0 HD3 LYS A 42 -11.194 -3.079 -4.979 1.00 0.86 H new ATOM 0 HE2 LYS A 42 -9.246 -2.075 -5.950 1.00 1.40 H new ATOM 0 HE3 LYS A 42 -9.830 -0.975 -4.718 1.00 1.40 H new ATOM 0 HZ1 LYS A 42 -7.400 -1.322 -4.696 1.00 1.90 H new ATOM 0 HZ2 LYS A 42 -8.142 -1.707 -3.218 1.00 1.90 H new ATOM 0 HZ3 LYS A 42 -7.651 -2.946 -4.269 1.00 1.90 H new ATOM 208 N GLU A 43 -13.784 -2.672 -0.104 1.00 0.48 N ATOM 209 CA GLU A 43 -14.464 -1.471 0.368 1.00 0.47 C ATOM 210 C GLU A 43 -13.871 -1.039 1.708 1.00 0.41 C ATOM 211 O GLU A 43 -13.919 0.135 2.077 1.00 0.42 O ATOM 212 CB GLU A 43 -15.969 -1.710 0.487 1.00 0.57 C ATOM 213 CG GLU A 43 -16.778 -0.449 0.773 1.00 1.04 C ATOM 214 CD GLU A 43 -16.713 0.565 -0.354 1.00 1.57 C ATOM 215 OE1 GLU A 43 -17.425 0.390 -1.364 1.00 1.68 O ATOM 216 OE2 GLU A 43 -15.946 1.544 -0.233 1.00 2.23 O ATOM 0 H GLU A 43 -14.376 -3.498 -0.187 1.00 0.48 H new ATOM 0 HA GLU A 43 -14.314 -0.671 -0.357 1.00 0.47 H new ATOM 0 HB2 GLU A 43 -16.329 -2.158 -0.439 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -16.150 -2.433 1.282 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -17.818 -0.723 0.948 1.00 1.04 H new ATOM 0 HG3 GLU A 43 -16.411 0.011 1.690 1.00 1.04 H new ATOM 223 N MET A 44 -13.301 -2.002 2.430 1.00 0.41 N ATOM 224 CA MET A 44 -12.563 -1.713 3.648 1.00 0.41 C ATOM 225 C MET A 44 -11.358 -0.829 3.351 1.00 0.31 C ATOM 226 O MET A 44 -11.212 0.226 3.946 1.00 0.28 O ATOM 227 CB MET A 44 -12.117 -3.005 4.342 1.00 0.50 C ATOM 228 CG MET A 44 -13.216 -3.662 5.164 1.00 0.82 C ATOM 229 SD MET A 44 -14.701 -4.018 4.199 1.00 1.59 S ATOM 230 CE MET A 44 -15.808 -4.582 5.489 1.00 1.62 C ATOM 0 H MET A 44 -13.339 -2.992 2.187 1.00 0.41 H new ATOM 0 HA MET A 44 -13.230 -1.176 4.323 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.766 -3.710 3.589 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.270 -2.785 4.992 1.00 0.50 H new ATOM 0 HG2 MET A 44 -12.837 -4.590 5.592 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.478 -3.010 5.997 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.366 -5.450 5.136 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.229 -4.857 6.371 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.504 -3.783 5.746 1.00 1.62 H new ATOM 240 N MET A 45 -10.501 -1.243 2.420 1.00 0.28 N ATOM 241 CA MET A 45 -9.347 -0.420 2.049 1.00 0.22 C ATOM 242 C MET A 45 -9.801 0.861 1.358 1.00 0.20 C ATOM 243 O MET A 45 -9.151 1.893 1.457 1.00 0.20 O ATOM 244 CB MET A 45 -8.377 -1.172 1.135 1.00 0.24 C ATOM 245 CG MET A 45 -8.914 -1.395 -0.265 1.00 0.32 C ATOM 246 SD MET A 45 -7.913 -2.523 -1.239 1.00 0.98 S ATOM 247 CE MET A 45 -6.349 -1.673 -1.213 1.00 0.22 C ATOM 0 H MET A 45 -10.579 -2.126 1.916 1.00 0.28 H new ATOM 0 HA MET A 45 -8.824 -0.173 2.973 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.443 -0.614 1.072 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.142 -2.137 1.583 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.929 -1.786 -0.199 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.974 -0.436 -0.780 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.749 -1.989 -2.066 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.518 -0.598 -1.267 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.821 -1.911 -0.290 1.00 0.22 H new ATOM 257 N SER A 46 -10.900 0.777 0.633 1.00 0.24 N ATOM 258 CA SER A 46 -11.497 1.942 0.011 1.00 0.30 C ATOM 259 C SER A 46 -11.715 3.046 1.044 1.00 0.27 C ATOM 260 O SER A 46 -11.278 4.182 0.854 1.00 0.30 O ATOM 261 CB SER A 46 -12.806 1.528 -0.651 1.00 0.39 C ATOM 262 OG SER A 46 -13.556 2.643 -1.103 1.00 0.53 O ATOM 0 H SER A 46 -11.401 -0.095 0.460 1.00 0.24 H new ATOM 0 HA SER A 46 -10.828 2.342 -0.751 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.592 0.871 -1.494 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.403 0.954 0.057 1.00 0.39 H new ATOM 0 HG SER A 46 -14.505 2.501 -0.905 1.00 0.53 H new ATOM 268 N GLN A 47 -12.388 2.720 2.135 1.00 0.25 N ATOM 269 CA GLN A 47 -12.557 3.682 3.209 1.00 0.27 C ATOM 270 C GLN A 47 -11.278 3.830 4.044 1.00 0.24 C ATOM 271 O GLN A 47 -10.776 4.938 4.208 1.00 0.29 O ATOM 272 CB GLN A 47 -13.767 3.340 4.088 1.00 0.30 C ATOM 273 CG GLN A 47 -13.722 1.964 4.727 1.00 0.33 C ATOM 274 CD GLN A 47 -14.971 1.666 5.527 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.050 1.967 6.718 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.961 1.075 4.880 1.00 1.11 N ATOM 0 H GLN A 47 -12.820 1.811 2.299 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.755 4.649 2.747 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.849 4.088 4.876 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.670 3.415 3.483 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.600 1.208 3.951 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.850 1.896 5.378 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -15.857 0.841 3.893 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.829 0.853 5.368 1.00 1.11 H new ATOM 285 N ALA A 48 -10.739 2.714 4.538 1.00 0.21 N ATOM 286 CA ALA A 48 -9.613 2.745 5.472 1.00 0.22 C ATOM 287 C ALA A 48 -8.330 3.219 4.814 1.00 0.20 C ATOM 288 O ALA A 48 -7.728 4.183 5.269 1.00 0.22 O ATOM 289 CB ALA A 48 -9.381 1.375 6.100 1.00 0.24 C ATOM 0 H ALA A 48 -11.065 1.776 4.306 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.881 3.460 6.249 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.538 1.429 6.789 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.275 1.067 6.643 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.164 0.648 5.317 1.00 0.24 H new ATOM 295 N LEU A 49 -7.929 2.578 3.722 1.00 0.18 N ATOM 296 CA LEU A 49 -6.627 2.842 3.124 1.00 0.18 C ATOM 297 C LEU A 49 -6.588 4.213 2.497 1.00 0.19 C ATOM 298 O LEU A 49 -5.735 5.033 2.821 1.00 0.21 O ATOM 299 CB LEU A 49 -6.300 1.824 2.032 1.00 0.23 C ATOM 300 CG LEU A 49 -5.155 0.874 2.333 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.723 0.221 1.043 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.991 1.590 3.010 1.00 0.58 C ATOM 0 H LEU A 49 -8.485 1.875 3.235 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.896 2.773 3.929 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.194 1.233 1.833 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -6.066 2.366 1.116 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.495 0.112 3.034 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.900 -0.466 1.241 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.561 -0.330 0.616 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.396 0.987 0.339 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.191 0.877 3.209 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.619 2.379 2.356 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.330 2.027 3.949 1.00 0.58 H new ATOM 314 N LYS A 50 -7.520 4.451 1.594 1.00 0.19 N ATOM 315 CA LYS A 50 -7.507 5.658 0.799 1.00 0.21 C ATOM 316 C LYS A 50 -7.602 6.894 1.697 1.00 0.23 C ATOM 317 O LYS A 50 -7.073 7.958 1.369 1.00 0.27 O ATOM 318 CB LYS A 50 -8.635 5.607 -0.237 1.00 0.22 C ATOM 319 CG LYS A 50 -8.702 4.275 -0.977 1.00 0.20 C ATOM 320 CD LYS A 50 -7.405 3.971 -1.722 1.00 0.21 C ATOM 321 CE LYS A 50 -7.218 4.880 -2.924 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.060 4.459 -4.071 1.00 0.55 N ATOM 0 H LYS A 50 -8.297 3.821 1.394 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.562 5.729 0.260 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.587 5.788 0.261 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.495 6.411 -0.959 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.908 3.475 -0.266 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.531 4.294 -1.685 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.560 4.088 -1.043 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.409 2.931 -2.050 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.467 5.904 -2.647 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.170 4.877 -3.222 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -8.145 5.246 -4.746 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.620 3.643 -4.543 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -9.005 4.193 -3.728 1.00 0.55 H new ATOM 336 N ALA A 51 -8.268 6.735 2.836 1.00 0.22 N ATOM 337 CA ALA A 51 -8.337 7.790 3.841 1.00 0.23 C ATOM 338 C ALA A 51 -7.062 7.857 4.686 1.00 0.23 C ATOM 339 O ALA A 51 -6.595 8.941 5.030 1.00 0.26 O ATOM 340 CB ALA A 51 -9.548 7.604 4.739 1.00 0.25 C ATOM 0 H ALA A 51 -8.769 5.883 3.087 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.435 8.735 3.306 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.578 8.403 5.480 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.456 7.634 4.136 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.481 6.641 5.246 1.00 0.25 H new ATOM 346 N THR A 52 -6.503 6.694 5.020 1.00 0.21 N ATOM 347 CA THR A 52 -5.409 6.609 5.986 1.00 0.22 C ATOM 348 C THR A 52 -4.064 7.014 5.389 1.00 0.21 C ATOM 349 O THR A 52 -3.102 7.230 6.123 1.00 0.23 O ATOM 350 CB THR A 52 -5.294 5.170 6.548 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.531 5.159 7.761 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.647 4.232 5.528 1.00 0.18 C ATOM 0 H THR A 52 -6.791 5.795 4.634 1.00 0.21 H new ATOM 0 HA THR A 52 -5.649 7.311 6.785 1.00 0.22 H new ATOM 0 HB THR A 52 -6.304 4.817 6.758 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.780 5.783 7.681 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.579 3.229 5.948 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.253 4.205 4.622 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.647 4.592 5.285 1.00 0.18 H new ATOM 360 N PHE A 53 -4.012 7.141 4.071 1.00 0.23 N ATOM 361 CA PHE A 53 -2.749 7.280 3.349 1.00 0.27 C ATOM 362 C PHE A 53 -1.849 8.382 3.892 1.00 0.32 C ATOM 363 O PHE A 53 -0.623 8.241 3.879 1.00 0.34 O ATOM 364 CB PHE A 53 -2.999 7.524 1.867 1.00 0.31 C ATOM 365 CG PHE A 53 -3.425 6.303 1.124 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.885 5.067 1.425 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.361 6.391 0.119 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.273 3.941 0.732 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.751 5.270 -0.575 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.208 4.042 -0.269 1.00 0.38 C ATOM 0 H PHE A 53 -4.837 7.151 3.472 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.225 6.335 3.496 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.765 8.291 1.758 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.089 7.916 1.413 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.151 4.983 2.212 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.793 7.350 -0.127 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.843 2.981 0.975 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.485 5.353 -1.363 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.516 3.162 -0.814 1.00 0.38 H new ATOM 380 N SER A 54 -2.448 9.456 4.380 1.00 0.36 N ATOM 381 CA SER A 54 -1.693 10.586 4.899 1.00 0.44 C ATOM 382 C SER A 54 -0.818 10.163 6.078 1.00 0.39 C ATOM 383 O SER A 54 0.187 10.804 6.358 1.00 0.46 O ATOM 384 CB SER A 54 -2.646 11.705 5.324 1.00 0.55 C ATOM 385 OG SER A 54 -1.939 12.847 5.782 1.00 1.37 O ATOM 0 H SER A 54 -3.461 9.570 4.428 1.00 0.36 H new ATOM 0 HA SER A 54 -1.042 10.955 4.107 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.281 11.983 4.482 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.304 11.343 6.114 1.00 0.55 H new ATOM 0 HG SER A 54 -2.577 13.543 6.044 1.00 1.37 H new ATOM 391 N GLY A 55 -1.212 9.085 6.754 1.00 0.31 N ATOM 392 CA GLY A 55 -0.468 8.587 7.897 1.00 0.28 C ATOM 393 C GLY A 55 1.008 8.376 7.612 1.00 0.22 C ATOM 394 O GLY A 55 1.857 9.045 8.204 1.00 0.25 O ATOM 0 H GLY A 55 -2.045 8.543 6.525 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.574 9.290 8.724 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.906 7.643 8.223 1.00 0.28 H new ATOM 398 N PHE A 56 1.317 7.452 6.707 1.00 0.15 N ATOM 399 CA PHE A 56 2.710 7.137 6.402 1.00 0.12 C ATOM 400 C PHE A 56 3.392 8.308 5.739 1.00 0.13 C ATOM 401 O PHE A 56 4.501 8.649 6.097 1.00 0.17 O ATOM 402 CB PHE A 56 2.852 5.913 5.494 1.00 0.13 C ATOM 403 CG PHE A 56 4.273 5.684 5.060 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.182 5.071 5.909 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.688 6.046 3.789 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.476 4.826 5.500 1.00 0.28 C ATOM 407 CE2 PHE A 56 5.982 5.807 3.377 1.00 0.26 C ATOM 408 CZ PHE A 56 6.915 5.330 4.283 1.00 0.28 C ATOM 0 H PHE A 56 0.631 6.914 6.177 1.00 0.15 H new ATOM 0 HA PHE A 56 3.184 6.914 7.358 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.489 5.030 6.019 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.222 6.042 4.614 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.873 4.782 6.903 1.00 0.23 H new ATOM 0 HD2 PHE A 56 3.991 6.520 3.114 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.143 4.247 6.121 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.267 5.991 2.352 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.969 5.350 4.046 1.00 0.28 H new ATOM 418 N THR A 57 2.708 8.927 4.799 1.00 0.16 N ATOM 419 CA THR A 57 3.307 10.001 4.007 1.00 0.24 C ATOM 420 C THR A 57 3.717 11.162 4.913 1.00 0.26 C ATOM 421 O THR A 57 4.806 11.716 4.783 1.00 0.35 O ATOM 422 CB THR A 57 2.336 10.509 2.929 1.00 0.32 C ATOM 423 OG1 THR A 57 1.734 9.393 2.268 1.00 0.39 O ATOM 424 CG2 THR A 57 3.059 11.359 1.898 1.00 0.46 C ATOM 0 H THR A 57 1.740 8.712 4.559 1.00 0.16 H new ATOM 0 HA THR A 57 4.190 9.595 3.513 1.00 0.24 H new ATOM 0 HB THR A 57 1.576 11.120 3.416 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.952 9.094 2.778 1.00 0.39 H new ATOM 0 HG21 THR A 57 2.348 11.705 1.148 1.00 0.46 H new ATOM 0 HG22 THR A 57 3.514 12.219 2.390 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.835 10.764 1.416 1.00 0.46 H new ATOM 432 N LYS A 58 2.842 11.480 5.855 1.00 0.24 N ATOM 433 CA LYS A 58 3.093 12.556 6.806 1.00 0.31 C ATOM 434 C LYS A 58 4.427 12.328 7.524 1.00 0.29 C ATOM 435 O LYS A 58 5.238 13.247 7.649 1.00 0.31 O ATOM 436 CB LYS A 58 1.947 12.676 7.814 1.00 0.39 C ATOM 437 CG LYS A 58 2.067 13.875 8.742 1.00 0.50 C ATOM 438 CD LYS A 58 0.758 14.165 9.463 1.00 1.34 C ATOM 439 CE LYS A 58 0.304 12.989 10.314 1.00 1.93 C ATOM 440 NZ LYS A 58 1.229 12.723 11.448 1.00 2.52 N ATOM 0 H LYS A 58 1.948 11.007 5.983 1.00 0.24 H new ATOM 0 HA LYS A 58 3.151 13.495 6.255 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.004 12.742 7.271 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.907 11.767 8.414 1.00 0.39 H new ATOM 0 HG2 LYS A 58 2.852 13.690 9.475 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.367 14.751 8.167 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.879 15.045 10.095 1.00 1.34 H new ATOM 0 HD3 LYS A 58 -0.014 14.403 8.731 1.00 1.34 H new ATOM 0 HE2 LYS A 58 -0.695 13.188 10.702 1.00 1.93 H new ATOM 0 HE3 LYS A 58 0.232 12.098 9.690 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 0.828 11.981 12.057 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 2.149 12.408 11.079 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 1.358 13.594 12.002 1.00 2.52 H new ATOM 454 N GLU A 59 4.660 11.094 7.964 1.00 0.26 N ATOM 455 CA GLU A 59 5.913 10.747 8.625 1.00 0.25 C ATOM 456 C GLU A 59 7.000 10.391 7.603 1.00 0.21 C ATOM 457 O GLU A 59 8.179 10.430 7.910 1.00 0.24 O ATOM 458 CB GLU A 59 5.704 9.600 9.616 1.00 0.31 C ATOM 459 CG GLU A 59 6.323 8.285 9.184 1.00 0.43 C ATOM 460 CD GLU A 59 6.162 7.204 10.235 1.00 0.76 C ATOM 461 OE1 GLU A 59 5.096 6.555 10.270 1.00 0.97 O ATOM 462 OE2 GLU A 59 7.112 6.982 11.021 1.00 0.98 O ATOM 0 H GLU A 59 4.000 10.321 7.875 1.00 0.26 H new ATOM 0 HA GLU A 59 6.251 11.622 9.180 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.124 9.887 10.580 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.634 9.454 9.765 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.861 7.956 8.253 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.383 8.434 8.978 1.00 0.43 H new ATOM 469 N GLN A 60 6.585 10.027 6.399 1.00 0.19 N ATOM 470 CA GLN A 60 7.500 9.716 5.304 1.00 0.19 C ATOM 471 C GLN A 60 8.395 10.908 5.039 1.00 0.22 C ATOM 472 O GLN A 60 9.616 10.793 5.004 1.00 0.23 O ATOM 473 CB GLN A 60 6.692 9.371 4.052 1.00 0.21 C ATOM 474 CG GLN A 60 7.507 9.093 2.809 1.00 0.28 C ATOM 475 CD GLN A 60 6.613 8.874 1.608 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.512 9.417 1.535 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.078 8.094 0.657 1.00 0.26 N ATOM 0 H GLN A 60 5.600 9.938 6.150 1.00 0.19 H new ATOM 0 HA GLN A 60 8.121 8.862 5.573 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.078 8.496 4.266 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.010 10.195 3.842 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.180 9.929 2.617 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.129 8.212 2.968 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.997 7.662 0.755 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.520 7.921 -0.179 1.00 0.26 H new ATOM 486 N GLN A 61 7.765 12.064 4.902 1.00 0.28 N ATOM 487 CA GLN A 61 8.486 13.319 4.746 1.00 0.34 C ATOM 488 C GLN A 61 9.386 13.548 5.954 1.00 0.34 C ATOM 489 O GLN A 61 10.500 14.056 5.840 1.00 0.37 O ATOM 490 CB GLN A 61 7.506 14.489 4.620 1.00 0.45 C ATOM 491 CG GLN A 61 6.939 14.701 3.215 1.00 0.58 C ATOM 492 CD GLN A 61 5.962 13.633 2.770 1.00 0.77 C ATOM 493 OE1 GLN A 61 4.757 13.765 2.977 1.00 1.23 O ATOM 494 NE2 GLN A 61 6.468 12.574 2.152 1.00 1.12 N ATOM 0 H GLN A 61 6.750 12.160 4.896 1.00 0.28 H new ATOM 0 HA GLN A 61 9.089 13.261 3.840 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.678 14.327 5.310 1.00 0.45 H new ATOM 0 HB3 GLN A 61 8.010 15.403 4.935 1.00 0.45 H new ATOM 0 HG2 GLN A 61 6.441 15.670 3.179 1.00 0.58 H new ATOM 0 HG3 GLN A 61 7.765 14.740 2.505 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.474 12.504 2.001 1.00 1.12 H new ATOM 0 HE22 GLN A 61 5.851 11.829 1.828 1.00 1.12 H new ATOM 503 N ARG A 62 8.876 13.143 7.109 1.00 0.34 N ATOM 504 CA ARG A 62 9.543 13.327 8.390 1.00 0.39 C ATOM 505 C ARG A 62 10.782 12.434 8.498 1.00 0.36 C ATOM 506 O ARG A 62 11.857 12.891 8.878 1.00 0.41 O ATOM 507 CB ARG A 62 8.526 13.009 9.493 1.00 0.44 C ATOM 508 CG ARG A 62 8.906 13.474 10.891 1.00 0.58 C ATOM 509 CD ARG A 62 10.064 12.679 11.467 1.00 1.13 C ATOM 510 NE ARG A 62 10.500 13.212 12.748 1.00 1.93 N ATOM 511 CZ ARG A 62 11.773 13.304 13.122 1.00 2.74 C ATOM 512 NH1 ARG A 62 12.742 12.894 12.309 1.00 2.99 N ATOM 513 NH2 ARG A 62 12.071 13.821 14.306 1.00 3.73 N ATOM 0 H ARG A 62 7.975 12.671 7.183 1.00 0.34 H new ATOM 0 HA ARG A 62 9.893 14.354 8.491 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.572 13.463 9.225 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.369 11.931 9.518 1.00 0.44 H new ATOM 0 HG2 ARG A 62 9.173 14.530 10.860 1.00 0.58 H new ATOM 0 HG3 ARG A 62 8.042 13.383 11.549 1.00 0.58 H new ATOM 0 HD2 ARG A 62 9.765 11.638 11.589 1.00 1.13 H new ATOM 0 HD3 ARG A 62 10.898 12.691 10.765 1.00 1.13 H new ATOM 0 HE ARG A 62 9.785 13.535 13.400 1.00 1.93 H new ATOM 0 HH11 ARG A 62 12.510 12.507 11.394 1.00 2.99 H new ATOM 0 HH12 ARG A 62 13.717 12.967 12.600 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.326 14.145 14.923 1.00 3.73 H new ATOM 0 HH22 ARG A 62 13.045 13.895 14.600 1.00 3.73 H new ATOM 527 N LEU A 63 10.616 11.159 8.172 1.00 0.30 N ATOM 528 CA LEU A 63 11.712 10.192 8.177 1.00 0.32 C ATOM 529 C LEU A 63 12.655 10.420 7.014 1.00 0.31 C ATOM 530 O LEU A 63 13.558 9.621 6.774 1.00 0.37 O ATOM 531 CB LEU A 63 11.165 8.762 8.137 1.00 0.33 C ATOM 532 CG LEU A 63 10.366 8.330 9.367 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.841 6.915 9.187 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.223 8.425 10.623 1.00 0.65 C ATOM 0 H LEU A 63 9.717 10.763 7.896 1.00 0.30 H new ATOM 0 HA LEU A 63 12.273 10.333 9.101 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.529 8.659 7.257 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.001 8.075 8.008 1.00 0.33 H new ATOM 0 HG LEU A 63 9.516 9.003 9.480 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.274 6.622 10.071 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.193 6.876 8.311 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.678 6.231 9.050 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.637 8.114 11.488 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.092 7.775 10.520 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.554 9.454 10.761 1.00 0.65 H new ATOM 546 N GLY A 64 12.438 11.510 6.298 1.00 0.28 N ATOM 547 CA GLY A 64 13.270 11.829 5.160 1.00 0.30 C ATOM 548 C GLY A 64 13.113 10.804 4.071 1.00 0.27 C ATOM 549 O GLY A 64 13.972 10.662 3.200 1.00 0.33 O ATOM 0 H GLY A 64 11.695 12.183 6.486 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.005 12.815 4.777 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.314 11.877 5.471 1.00 0.30 H new ATOM 553 N ILE A 65 12.016 10.067 4.139 1.00 0.22 N ATOM 554 CA ILE A 65 11.741 9.050 3.166 1.00 0.20 C ATOM 555 C ILE A 65 11.217 9.702 1.898 1.00 0.21 C ATOM 556 O ILE A 65 10.268 10.487 1.946 1.00 0.23 O ATOM 557 CB ILE A 65 10.724 7.992 3.661 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.258 7.285 4.906 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.424 6.974 2.561 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.426 6.094 5.337 1.00 0.20 C ATOM 0 H ILE A 65 11.306 10.163 4.865 1.00 0.22 H new ATOM 0 HA ILE A 65 12.677 8.524 2.977 1.00 0.20 H new ATOM 0 HB ILE A 65 9.796 8.503 3.918 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.278 6.953 4.714 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.304 8.000 5.727 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.708 6.240 2.930 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.005 7.487 1.695 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.345 6.468 2.272 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.867 5.645 6.227 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.411 6.421 5.562 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.400 5.358 4.533 1.00 0.20 H new ATOM 572 N PRO A 66 11.862 9.421 0.763 1.00 0.24 N ATOM 573 CA PRO A 66 11.400 9.892 -0.541 1.00 0.27 C ATOM 574 C PRO A 66 9.912 9.622 -0.731 1.00 0.22 C ATOM 575 O PRO A 66 9.458 8.506 -0.518 1.00 0.23 O ATOM 576 CB PRO A 66 12.207 9.040 -1.513 1.00 0.35 C ATOM 577 CG PRO A 66 13.458 8.690 -0.786 1.00 0.26 C ATOM 578 CD PRO A 66 13.106 8.643 0.672 1.00 0.31 C ATOM 0 HA PRO A 66 11.532 10.966 -0.673 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.656 8.145 -1.801 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.425 9.589 -2.429 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.846 7.728 -1.122 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.236 9.431 -0.973 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.962 7.618 1.015 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.894 9.077 1.287 1.00 0.31 H new ATOM 586 N LYS A 67 9.160 10.656 -1.097 1.00 0.25 N ATOM 587 CA LYS A 67 7.707 10.550 -1.268 1.00 0.27 C ATOM 588 C LYS A 67 7.318 9.501 -2.313 1.00 0.25 C ATOM 589 O LYS A 67 6.253 8.891 -2.222 1.00 0.36 O ATOM 590 CB LYS A 67 7.125 11.906 -1.670 1.00 0.43 C ATOM 591 CG LYS A 67 7.859 12.560 -2.834 1.00 1.04 C ATOM 592 CD LYS A 67 7.075 13.720 -3.425 1.00 1.15 C ATOM 593 CE LYS A 67 5.981 13.239 -4.370 1.00 1.67 C ATOM 594 NZ LYS A 67 6.539 12.651 -5.619 1.00 2.42 N ATOM 0 H LYS A 67 9.534 11.587 -1.283 1.00 0.25 H new ATOM 0 HA LYS A 67 7.295 10.234 -0.310 1.00 0.27 H new ATOM 0 HB2 LYS A 67 6.076 11.778 -1.938 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.155 12.575 -0.810 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.832 12.916 -2.495 1.00 1.04 H new ATOM 0 HG3 LYS A 67 8.044 11.816 -3.609 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.629 14.305 -2.621 1.00 1.15 H new ATOM 0 HD3 LYS A 67 7.754 14.382 -3.962 1.00 1.15 H new ATOM 0 HE2 LYS A 67 5.366 12.496 -3.863 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.328 14.074 -4.623 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 5.918 11.885 -5.949 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 6.601 13.387 -6.352 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.488 12.271 -5.430 1.00 2.42 H new ATOM 608 N ASP A 68 8.176 9.306 -3.301 1.00 0.28 N ATOM 609 CA ASP A 68 7.918 8.325 -4.347 1.00 0.28 C ATOM 610 C ASP A 68 8.454 6.983 -3.903 1.00 0.21 C ATOM 611 O ASP A 68 9.283 6.914 -3.011 1.00 0.23 O ATOM 612 CB ASP A 68 8.571 8.745 -5.669 1.00 0.39 C ATOM 613 CG ASP A 68 8.123 10.112 -6.132 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.747 11.115 -5.736 1.00 1.65 O ATOM 615 OD2 ASP A 68 7.147 10.186 -6.910 1.00 1.88 O ATOM 0 H ASP A 68 9.056 9.812 -3.402 1.00 0.28 H new ATOM 0 HA ASP A 68 6.843 8.258 -4.515 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.655 8.743 -5.551 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.332 8.009 -6.437 1.00 0.39 H new ATOM 620 N PRO A 69 7.961 5.893 -4.478 1.00 0.19 N ATOM 621 CA PRO A 69 8.423 4.558 -4.154 1.00 0.20 C ATOM 622 C PRO A 69 9.374 3.991 -5.203 1.00 0.26 C ATOM 623 O PRO A 69 9.640 2.803 -5.218 1.00 0.65 O ATOM 624 CB PRO A 69 7.109 3.802 -4.165 1.00 0.40 C ATOM 625 CG PRO A 69 6.324 4.432 -5.277 1.00 0.37 C ATOM 626 CD PRO A 69 6.846 5.842 -5.437 1.00 0.22 C ATOM 0 HA PRO A 69 8.991 4.507 -3.225 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.265 2.738 -4.342 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.590 3.894 -3.211 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.444 3.868 -6.202 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.259 4.438 -5.043 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.181 6.035 -6.456 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.081 6.584 -5.207 1.00 0.22 H new ATOM 634 N ARG A 70 9.867 4.856 -6.076 1.00 0.20 N ATOM 635 CA ARG A 70 10.676 4.442 -7.228 1.00 0.26 C ATOM 636 C ARG A 70 12.177 4.505 -6.928 1.00 0.19 C ATOM 637 O ARG A 70 13.001 4.184 -7.781 1.00 0.27 O ATOM 638 CB ARG A 70 10.370 5.364 -8.413 1.00 0.46 C ATOM 639 CG ARG A 70 8.945 5.897 -8.425 1.00 0.96 C ATOM 640 CD ARG A 70 7.937 4.871 -8.919 1.00 0.87 C ATOM 641 NE ARG A 70 7.981 4.732 -10.374 1.00 1.06 N ATOM 642 CZ ARG A 70 6.900 4.696 -11.154 1.00 1.29 C ATOM 643 NH1 ARG A 70 5.688 4.764 -10.627 1.00 1.89 N ATOM 644 NH2 ARG A 70 7.031 4.587 -12.466 1.00 1.79 N ATOM 0 H ARG A 70 9.722 5.864 -6.012 1.00 0.20 H new ATOM 0 HA ARG A 70 10.420 3.408 -7.460 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.062 6.206 -8.395 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.553 4.821 -9.340 1.00 0.46 H new ATOM 0 HG2 ARG A 70 8.672 6.213 -7.418 1.00 0.96 H new ATOM 0 HG3 ARG A 70 8.898 6.781 -9.061 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.141 3.906 -8.454 1.00 0.87 H new ATOM 0 HD3 ARG A 70 6.934 5.167 -8.611 1.00 0.87 H new ATOM 0 HE ARG A 70 8.895 4.658 -10.820 1.00 1.06 H new ATOM 0 HH11 ARG A 70 5.575 4.845 -9.616 1.00 1.89 H new ATOM 0 HH12 ARG A 70 4.867 4.736 -11.231 1.00 1.89 H new ATOM 0 HH21 ARG A 70 7.960 4.530 -12.883 1.00 1.79 H new ATOM 0 HH22 ARG A 70 6.203 4.560 -13.061 1.00 1.79 H new ATOM 658 N GLN A 71 12.517 4.916 -5.720 1.00 0.16 N ATOM 659 CA GLN A 71 13.914 5.191 -5.366 1.00 0.16 C ATOM 660 C GLN A 71 14.201 4.872 -3.896 1.00 0.15 C ATOM 661 O GLN A 71 15.174 5.353 -3.318 1.00 0.18 O ATOM 662 CB GLN A 71 14.235 6.669 -5.636 1.00 0.20 C ATOM 663 CG GLN A 71 13.660 7.617 -4.593 1.00 0.38 C ATOM 664 CD GLN A 71 12.158 7.500 -4.460 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.703 6.536 -3.659 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.413 8.228 -5.100 1.00 0.29 N flip ATOM 0 H GLN A 71 11.852 5.069 -4.962 1.00 0.16 H new ATOM 0 HA GLN A 71 14.544 4.549 -5.982 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.317 6.796 -5.674 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.847 6.943 -6.617 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.123 7.412 -3.628 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.918 8.642 -4.859 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.802 8.954 -5.702 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.402 8.110 -5.032 1.00 0.29 H new ATOM 675 N TRP A 72 13.355 4.055 -3.298 1.00 0.12 N ATOM 676 CA TRP A 72 13.475 3.712 -1.893 1.00 0.11 C ATOM 677 C TRP A 72 14.565 2.681 -1.660 1.00 0.12 C ATOM 678 O TRP A 72 15.024 2.022 -2.582 1.00 0.14 O ATOM 679 CB TRP A 72 12.146 3.112 -1.425 1.00 0.11 C ATOM 680 CG TRP A 72 11.130 4.116 -1.015 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.327 5.438 -0.775 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.749 3.863 -0.777 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.145 6.024 -0.418 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.158 5.078 -0.413 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.955 2.727 -0.850 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.801 5.186 -0.118 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.615 2.830 -0.557 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.049 4.051 -0.197 1.00 0.10 C ATOM 0 H TRP A 72 12.567 3.611 -3.770 1.00 0.12 H new ATOM 0 HA TRP A 72 13.727 4.617 -1.341 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.733 2.503 -2.229 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.338 2.444 -0.585 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.275 5.949 -0.854 1.00 0.10 H new ATOM 0 HE1 TRP A 72 10.019 7.011 -0.191 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.383 1.776 -1.133 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.361 6.132 0.162 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.991 1.950 -0.607 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.993 4.100 0.024 1.00 0.10 H new ATOM 699 N THR A 73 15.023 2.589 -0.429 1.00 0.14 N ATOM 700 CA THR A 73 15.893 1.506 -0.031 1.00 0.15 C ATOM 701 C THR A 73 15.046 0.386 0.553 1.00 0.15 C ATOM 702 O THR A 73 13.833 0.563 0.714 1.00 0.16 O ATOM 703 CB THR A 73 16.925 1.985 1.007 1.00 0.18 C ATOM 704 OG1 THR A 73 16.250 2.435 2.190 1.00 0.19 O ATOM 705 CG2 THR A 73 17.774 3.122 0.455 1.00 0.21 C ATOM 0 H THR A 73 14.806 3.254 0.314 1.00 0.14 H new ATOM 0 HA THR A 73 16.438 1.145 -0.903 1.00 0.15 H new ATOM 0 HB THR A 73 17.578 1.145 1.244 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.805 3.289 2.008 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.493 3.439 1.210 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.307 2.781 -0.433 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.131 3.962 0.192 1.00 0.21 H new ATOM 713 N GLU A 74 15.655 -0.742 0.887 1.00 0.17 N ATOM 714 CA GLU A 74 14.896 -1.878 1.399 1.00 0.20 C ATOM 715 C GLU A 74 14.129 -1.501 2.672 1.00 0.19 C ATOM 716 O GLU A 74 12.995 -1.943 2.879 1.00 0.28 O ATOM 717 CB GLU A 74 15.812 -3.079 1.645 1.00 0.29 C ATOM 718 CG GLU A 74 16.919 -2.830 2.654 1.00 1.25 C ATOM 719 CD GLU A 74 17.825 -4.031 2.811 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.775 -4.164 2.015 1.00 2.67 O ATOM 721 OE2 GLU A 74 17.581 -4.853 3.717 1.00 1.99 O ATOM 0 H GLU A 74 16.661 -0.897 0.815 1.00 0.17 H new ATOM 0 HA GLU A 74 14.165 -2.161 0.642 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.206 -3.918 1.989 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.261 -3.377 0.698 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.509 -1.970 2.339 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.480 -2.579 3.619 1.00 1.25 H new ATOM 728 N THR A 75 14.729 -0.647 3.499 1.00 0.18 N ATOM 729 CA THR A 75 14.098 -0.204 4.734 1.00 0.21 C ATOM 730 C THR A 75 12.940 0.749 4.445 1.00 0.17 C ATOM 731 O THR A 75 11.944 0.758 5.161 1.00 0.20 O ATOM 732 CB THR A 75 15.114 0.507 5.650 1.00 0.29 C ATOM 733 OG1 THR A 75 16.299 -0.290 5.774 1.00 0.47 O ATOM 734 CG2 THR A 75 14.526 0.751 7.029 1.00 0.47 C ATOM 0 H THR A 75 15.653 -0.249 3.333 1.00 0.18 H new ATOM 0 HA THR A 75 13.718 -1.092 5.238 1.00 0.21 H new ATOM 0 HB THR A 75 15.360 1.469 5.200 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.942 0.167 6.356 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.263 1.254 7.655 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.638 1.377 6.940 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.254 -0.202 7.483 1.00 0.47 H new ATOM 742 N HIS A 76 13.066 1.534 3.375 1.00 0.14 N ATOM 743 CA HIS A 76 12.058 2.540 3.047 1.00 0.12 C ATOM 744 C HIS A 76 10.806 1.875 2.489 1.00 0.10 C ATOM 745 O HIS A 76 9.681 2.241 2.841 1.00 0.10 O ATOM 746 CB HIS A 76 12.604 3.575 2.055 1.00 0.14 C ATOM 747 CG HIS A 76 13.560 4.548 2.669 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.604 5.122 1.974 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.613 5.066 3.916 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.254 5.949 2.767 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.675 5.933 3.952 1.00 0.19 N ATOM 0 H HIS A 76 13.851 1.493 2.725 1.00 0.14 H new ATOM 0 HA HIS A 76 11.797 3.065 3.966 1.00 0.12 H new ATOM 0 HB2 HIS A 76 13.103 3.054 1.238 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.769 4.124 1.620 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.943 4.839 4.733 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.115 6.540 2.493 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.969 6.477 4.763 1.00 0.19 H new ATOM 760 N VAL A 77 11.016 0.880 1.634 1.00 0.09 N ATOM 761 CA VAL A 77 9.928 0.131 1.059 1.00 0.07 C ATOM 762 C VAL A 77 9.195 -0.618 2.160 1.00 0.08 C ATOM 763 O VAL A 77 7.994 -0.460 2.329 1.00 0.08 O ATOM 764 CB VAL A 77 10.431 -0.859 -0.019 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.342 -1.853 -0.396 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.914 -0.103 -1.257 1.00 0.08 C ATOM 0 H VAL A 77 11.941 0.579 1.328 1.00 0.09 H new ATOM 0 HA VAL A 77 9.247 0.829 0.573 1.00 0.07 H new ATOM 0 HB VAL A 77 11.270 -1.416 0.399 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.721 -2.537 -1.155 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.044 -2.419 0.487 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.479 -1.316 -0.790 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.264 -0.815 -2.004 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.092 0.482 -1.670 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.731 0.564 -0.981 1.00 0.08 H new ATOM 776 N ARG A 78 9.947 -1.391 2.940 1.00 0.09 N ATOM 777 CA ARG A 78 9.375 -2.173 4.032 1.00 0.11 C ATOM 778 C ARG A 78 8.737 -1.289 5.103 1.00 0.10 C ATOM 779 O ARG A 78 7.837 -1.727 5.819 1.00 0.14 O ATOM 780 CB ARG A 78 10.431 -3.076 4.656 1.00 0.18 C ATOM 781 CG ARG A 78 10.403 -4.490 4.098 1.00 0.37 C ATOM 782 CD ARG A 78 11.489 -5.354 4.712 1.00 0.40 C ATOM 783 NE ARG A 78 12.713 -5.339 3.921 1.00 1.11 N ATOM 784 CZ ARG A 78 13.937 -5.388 4.439 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.114 -5.371 5.755 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.988 -5.449 3.634 1.00 2.21 N ATOM 0 H ARG A 78 10.957 -1.492 2.835 1.00 0.09 H new ATOM 0 HA ARG A 78 8.585 -2.790 3.603 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.417 -2.644 4.488 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.279 -3.113 5.735 1.00 0.18 H new ATOM 0 HG2 ARG A 78 9.428 -4.938 4.290 1.00 0.37 H new ATOM 0 HG3 ARG A 78 10.531 -4.458 3.016 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.705 -5.002 5.721 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.129 -6.379 4.803 1.00 0.40 H new ATOM 0 HE ARG A 78 12.625 -5.288 2.906 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.308 -5.320 6.377 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.056 -5.409 6.143 1.00 1.57 H new ATOM 0 HH21 ARG A 78 14.856 -5.458 2.623 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.929 -5.487 4.026 1.00 2.21 H new ATOM 800 N ASP A 79 9.213 -0.055 5.212 1.00 0.11 N ATOM 801 CA ASP A 79 8.638 0.931 6.128 1.00 0.12 C ATOM 802 C ASP A 79 7.182 1.156 5.768 1.00 0.11 C ATOM 803 O ASP A 79 6.262 0.942 6.571 1.00 0.12 O ATOM 804 CB ASP A 79 9.391 2.257 5.999 1.00 0.16 C ATOM 805 CG ASP A 79 9.446 3.038 7.298 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.394 3.515 7.755 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.553 3.162 7.873 1.00 0.95 O ATOM 0 H ASP A 79 10.005 0.293 4.672 1.00 0.11 H new ATOM 0 HA ASP A 79 8.719 0.563 7.151 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.407 2.059 5.657 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.911 2.868 5.235 1.00 0.16 H new ATOM 812 N TRP A 80 6.985 1.524 4.517 1.00 0.10 N ATOM 813 CA TRP A 80 5.673 1.813 3.987 1.00 0.09 C ATOM 814 C TRP A 80 4.874 0.524 3.838 1.00 0.09 C ATOM 815 O TRP A 80 3.643 0.514 3.949 1.00 0.09 O ATOM 816 CB TRP A 80 5.878 2.510 2.646 1.00 0.09 C ATOM 817 CG TRP A 80 4.798 2.307 1.650 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.692 3.073 1.462 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.750 1.268 0.674 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.963 2.575 0.414 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.593 1.464 -0.081 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.581 0.190 0.370 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.249 0.628 -1.132 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.234 -0.643 -0.667 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.077 -0.420 -1.410 1.00 0.10 C ATOM 0 H TRP A 80 7.738 1.631 3.838 1.00 0.10 H new ATOM 0 HA TRP A 80 5.104 2.459 4.656 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.987 3.580 2.825 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.816 2.162 2.215 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.428 3.941 2.048 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.091 2.968 0.059 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.481 0.013 0.939 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.354 0.801 -1.712 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.868 -1.483 -0.909 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.831 -1.089 -2.221 1.00 0.10 H new ATOM 836 N VAL A 81 5.608 -0.560 3.617 1.00 0.10 N ATOM 837 CA VAL A 81 5.040 -1.882 3.454 1.00 0.11 C ATOM 838 C VAL A 81 4.285 -2.291 4.711 1.00 0.11 C ATOM 839 O VAL A 81 3.087 -2.571 4.675 1.00 0.11 O ATOM 840 CB VAL A 81 6.164 -2.898 3.130 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.848 -4.298 3.617 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.437 -2.921 1.637 1.00 0.14 C ATOM 0 H VAL A 81 6.625 -0.540 3.546 1.00 0.10 H new ATOM 0 HA VAL A 81 4.333 -1.869 2.625 1.00 0.11 H new ATOM 0 HB VAL A 81 7.053 -2.564 3.664 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.671 -4.966 3.362 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.713 -4.285 4.698 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.933 -4.651 3.141 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.229 -3.639 1.423 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.531 -3.211 1.106 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.748 -1.929 1.309 1.00 0.14 H new ATOM 852 N MET A 82 4.981 -2.302 5.828 1.00 0.11 N ATOM 853 CA MET A 82 4.350 -2.650 7.083 1.00 0.12 C ATOM 854 C MET A 82 3.401 -1.565 7.568 1.00 0.11 C ATOM 855 O MET A 82 2.610 -1.822 8.456 1.00 0.12 O ATOM 856 CB MET A 82 5.361 -2.995 8.173 1.00 0.15 C ATOM 857 CG MET A 82 6.263 -1.847 8.577 1.00 0.13 C ATOM 858 SD MET A 82 6.285 -1.579 10.360 1.00 0.49 S ATOM 859 CE MET A 82 6.701 -3.219 10.949 1.00 0.42 C ATOM 0 H MET A 82 5.974 -2.077 5.893 1.00 0.11 H new ATOM 0 HA MET A 82 3.765 -3.547 6.879 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.822 -3.345 9.054 1.00 0.15 H new ATOM 0 HB3 MET A 82 5.980 -3.823 7.828 1.00 0.15 H new ATOM 0 HG2 MET A 82 7.277 -2.047 8.231 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.930 -0.936 8.080 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.256 -3.140 11.884 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.787 -3.788 11.116 1.00 0.42 H new ATOM 0 HE3 MET A 82 7.314 -3.728 10.205 1.00 0.42 H new ATOM 869 N TRP A 83 3.469 -0.351 7.019 1.00 0.09 N ATOM 870 CA TRP A 83 2.547 0.686 7.474 1.00 0.09 C ATOM 871 C TRP A 83 1.106 0.382 7.058 1.00 0.09 C ATOM 872 O TRP A 83 0.224 0.289 7.907 1.00 0.11 O ATOM 873 CB TRP A 83 2.949 2.086 6.986 1.00 0.09 C ATOM 874 CG TRP A 83 1.950 3.121 7.382 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.883 3.795 8.565 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.855 3.584 6.592 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.810 4.650 8.554 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.166 4.538 7.353 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.398 3.282 5.307 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.958 5.194 6.870 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.718 3.931 4.833 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.383 4.877 5.611 1.00 0.15 C ATOM 0 H TRP A 83 4.124 -0.070 6.289 1.00 0.09 H new ATOM 0 HA TRP A 83 2.606 0.683 8.562 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.925 2.347 7.396 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.052 2.077 5.901 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.572 3.674 9.388 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.537 5.269 9.318 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.911 2.553 4.697 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.478 5.928 7.468 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.085 3.704 3.843 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.255 5.371 5.209 1.00 0.15 H new ATOM 893 N ALA A 84 0.841 0.224 5.768 1.00 0.09 N ATOM 894 CA ALA A 84 -0.525 -0.082 5.345 1.00 0.10 C ATOM 895 C ALA A 84 -0.957 -1.390 5.990 1.00 0.10 C ATOM 896 O ALA A 84 -2.097 -1.555 6.430 1.00 0.12 O ATOM 897 CB ALA A 84 -0.631 -0.154 3.828 1.00 0.12 C ATOM 0 H ALA A 84 1.526 0.299 5.016 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.190 0.718 5.670 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.659 -0.383 3.546 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.341 0.804 3.397 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.031 -0.935 3.454 1.00 0.12 H new ATOM 903 N VAL A 85 0.005 -2.290 6.079 1.00 0.10 N ATOM 904 CA VAL A 85 -0.149 -3.549 6.773 1.00 0.11 C ATOM 905 C VAL A 85 -0.526 -3.366 8.253 1.00 0.13 C ATOM 906 O VAL A 85 -1.519 -3.924 8.708 1.00 0.14 O ATOM 907 CB VAL A 85 1.156 -4.375 6.627 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.357 -5.359 7.771 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.162 -5.104 5.298 1.00 0.14 C ATOM 0 H VAL A 85 0.928 -2.162 5.664 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.978 -4.089 6.315 1.00 0.11 H new ATOM 0 HB VAL A 85 1.989 -3.673 6.664 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.285 -5.910 7.618 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.409 -4.815 8.714 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.521 -6.058 7.801 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.082 -5.681 5.204 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.305 -5.776 5.248 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.103 -4.380 4.485 1.00 0.14 H new ATOM 919 N ASN A 86 0.247 -2.588 9.004 1.00 0.15 N ATOM 920 CA ASN A 86 0.029 -2.482 10.447 1.00 0.19 C ATOM 921 C ASN A 86 -1.219 -1.668 10.781 1.00 0.23 C ATOM 922 O ASN A 86 -1.793 -1.822 11.859 1.00 0.27 O ATOM 923 CB ASN A 86 1.274 -1.952 11.186 1.00 0.23 C ATOM 924 CG ASN A 86 1.350 -0.437 11.338 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.861 0.292 10.359 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.866 0.071 12.334 1.00 0.32 N flip ATOM 0 H ASN A 86 1.021 -2.028 8.646 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.146 -3.495 10.810 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.305 -2.402 12.179 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.163 -2.292 10.654 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.236 -0.523 13.076 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.923 1.086 12.417 1.00 0.32 H new ATOM 933 N GLU A 87 -1.655 -0.826 9.850 1.00 0.24 N ATOM 934 CA GLU A 87 -2.842 -0.011 10.066 1.00 0.31 C ATOM 935 C GLU A 87 -4.057 -0.908 9.925 1.00 0.28 C ATOM 936 O GLU A 87 -5.045 -0.787 10.649 1.00 0.35 O ATOM 937 CB GLU A 87 -2.889 1.137 9.051 1.00 0.38 C ATOM 938 CG GLU A 87 -4.057 2.092 9.245 1.00 1.23 C ATOM 939 CD GLU A 87 -4.061 2.742 10.613 1.00 1.35 C ATOM 940 OE1 GLU A 87 -3.004 3.254 11.040 1.00 1.08 O ATOM 941 OE2 GLU A 87 -5.123 2.736 11.272 1.00 2.15 O ATOM 0 H GLU A 87 -1.206 -0.691 8.944 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.824 0.432 11.062 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -1.958 1.701 9.114 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.940 0.717 8.046 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.018 2.867 8.479 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -4.992 1.550 9.102 1.00 1.23 H new ATOM 948 N PHE A 88 -3.938 -1.835 8.991 1.00 0.23 N ATOM 949 CA PHE A 88 -4.948 -2.849 8.758 1.00 0.23 C ATOM 950 C PHE A 88 -4.810 -4.017 9.725 1.00 0.25 C ATOM 951 O PHE A 88 -5.629 -4.936 9.723 1.00 0.30 O ATOM 952 CB PHE A 88 -4.822 -3.367 7.336 1.00 0.24 C ATOM 953 CG PHE A 88 -5.684 -2.637 6.357 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.025 -2.962 6.229 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.161 -1.636 5.563 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.827 -2.297 5.327 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.960 -0.969 4.662 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.294 -1.298 4.542 1.00 0.45 C ATOM 0 H PHE A 88 -3.132 -1.905 8.370 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.924 -2.390 8.916 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.782 -3.290 7.020 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.082 -4.425 7.319 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.446 -3.745 6.843 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.117 -1.374 5.649 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.871 -2.558 5.236 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.541 -0.186 4.047 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.919 -0.774 3.834 1.00 0.45 H new ATOM 968 N SER A 89 -3.769 -3.964 10.555 1.00 0.27 N ATOM 969 CA SER A 89 -3.407 -5.074 11.422 1.00 0.34 C ATOM 970 C SER A 89 -3.269 -6.362 10.605 1.00 0.36 C ATOM 971 O SER A 89 -3.783 -7.415 10.980 1.00 0.48 O ATOM 972 CB SER A 89 -4.439 -5.241 12.546 1.00 0.45 C ATOM 973 OG SER A 89 -3.992 -6.164 13.527 1.00 1.07 O ATOM 0 H SER A 89 -3.158 -3.152 10.642 1.00 0.27 H new ATOM 0 HA SER A 89 -2.443 -4.858 11.883 1.00 0.34 H new ATOM 0 HB2 SER A 89 -4.630 -4.275 13.013 1.00 0.45 H new ATOM 0 HB3 SER A 89 -5.385 -5.584 12.126 1.00 0.45 H new ATOM 0 HG SER A 89 -3.815 -7.030 13.105 1.00 1.07 H new ATOM 979 N LEU A 90 -2.572 -6.275 9.475 1.00 0.31 N ATOM 980 CA LEU A 90 -2.359 -7.436 8.635 1.00 0.40 C ATOM 981 C LEU A 90 -1.292 -8.301 9.273 1.00 0.59 C ATOM 982 O LEU A 90 -1.459 -9.510 9.412 1.00 1.23 O ATOM 983 CB LEU A 90 -1.926 -6.983 7.238 1.00 0.33 C ATOM 984 CG LEU A 90 -2.831 -5.920 6.614 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.312 -5.504 5.253 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.257 -6.447 6.505 1.00 0.27 C ATOM 0 H LEU A 90 -2.150 -5.414 9.127 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.279 -8.012 8.538 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.910 -6.592 7.294 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.897 -7.851 6.580 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.830 -5.041 7.259 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.971 -4.747 4.828 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.308 -5.093 5.357 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.283 -6.372 4.594 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.894 -5.683 6.060 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.268 -7.339 5.879 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.630 -6.696 7.499 1.00 0.27 H new ATOM 998 N LYS A 91 -0.224 -7.626 9.695 1.00 0.24 N ATOM 999 CA LYS A 91 0.847 -8.197 10.512 1.00 0.39 C ATOM 1000 C LYS A 91 1.204 -9.635 10.134 1.00 0.26 C ATOM 1001 O LYS A 91 1.421 -10.476 11.008 1.00 0.39 O ATOM 1002 CB LYS A 91 0.464 -8.114 11.992 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.048 -6.739 12.397 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.207 -6.614 13.901 1.00 1.49 C ATOM 1005 CE LYS A 91 1.138 -6.439 14.585 1.00 1.91 C ATOM 1006 NZ LYS A 91 1.033 -6.534 16.065 1.00 2.48 N ATOM 0 H LYS A 91 -0.075 -6.642 9.473 1.00 0.24 H new ATOM 0 HA LYS A 91 1.741 -7.605 10.320 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.303 -8.859 12.206 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.332 -8.366 12.601 1.00 0.78 H new ATOM 0 HG2 LYS A 91 0.643 -5.975 12.040 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -1.007 -6.552 11.914 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -0.848 -5.763 14.132 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -0.703 -7.502 14.292 1.00 1.49 H new ATOM 0 HE2 LYS A 91 1.830 -7.199 14.222 1.00 1.91 H new ATOM 0 HE3 LYS A 91 1.558 -5.470 14.314 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 1.975 -6.409 16.489 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 0.394 -5.792 16.416 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 0.657 -7.468 16.327 1.00 2.48 H new ATOM 1020 N GLY A 92 1.238 -9.931 8.842 1.00 0.26 N ATOM 1021 CA GLY A 92 1.733 -11.210 8.387 1.00 0.31 C ATOM 1022 C GLY A 92 2.428 -11.060 7.055 1.00 0.31 C ATOM 1023 O GLY A 92 2.222 -11.848 6.133 1.00 0.47 O ATOM 0 H GLY A 92 0.930 -9.303 8.100 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.425 -11.622 9.122 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.907 -11.916 8.296 1.00 0.31 H new ATOM 1027 N VAL A 93 3.239 -10.021 6.958 1.00 0.21 N ATOM 1028 CA VAL A 93 3.950 -9.705 5.741 1.00 0.21 C ATOM 1029 C VAL A 93 5.317 -10.358 5.752 1.00 0.20 C ATOM 1030 O VAL A 93 6.029 -10.316 6.758 1.00 0.22 O ATOM 1031 CB VAL A 93 4.058 -8.169 5.556 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.482 -7.712 5.274 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.147 -7.738 4.428 1.00 0.23 C ATOM 0 H VAL A 93 3.420 -9.374 7.725 1.00 0.21 H new ATOM 0 HA VAL A 93 3.393 -10.101 4.892 1.00 0.21 H new ATOM 0 HB VAL A 93 3.754 -7.702 6.492 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.499 -6.629 5.153 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.126 -7.995 6.106 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.842 -8.185 4.360 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.219 -6.659 4.294 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.446 -8.239 3.507 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.118 -8.006 4.669 1.00 0.23 H new ATOM 1043 N ASP A 94 5.667 -10.993 4.648 1.00 0.21 N ATOM 1044 CA ASP A 94 6.988 -11.558 4.503 1.00 0.24 C ATOM 1045 C ASP A 94 7.936 -10.442 4.137 1.00 0.21 C ATOM 1046 O ASP A 94 8.026 -10.064 2.977 1.00 0.20 O ATOM 1047 CB ASP A 94 7.021 -12.637 3.417 1.00 0.32 C ATOM 1048 CG ASP A 94 6.122 -13.814 3.717 1.00 1.02 C ATOM 1049 OD1 ASP A 94 6.393 -14.538 4.695 1.00 1.10 O ATOM 1050 OD2 ASP A 94 5.131 -14.008 2.985 1.00 1.94 O ATOM 0 H ASP A 94 5.054 -11.128 3.844 1.00 0.21 H new ATOM 0 HA ASP A 94 7.280 -12.028 5.442 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.724 -12.195 2.466 1.00 0.32 H new ATOM 0 HB3 ASP A 94 8.045 -12.992 3.298 1.00 0.32 H new ATOM 1055 N PHE A 95 8.632 -9.903 5.121 1.00 0.23 N ATOM 1056 CA PHE A 95 9.496 -8.759 4.889 1.00 0.24 C ATOM 1057 C PHE A 95 10.601 -9.116 3.910 1.00 0.23 C ATOM 1058 O PHE A 95 11.187 -8.246 3.273 1.00 0.28 O ATOM 1059 CB PHE A 95 10.101 -8.256 6.199 1.00 0.29 C ATOM 1060 CG PHE A 95 9.104 -7.593 7.105 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.809 -6.246 6.973 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.464 -8.321 8.093 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.891 -5.641 7.809 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.547 -7.721 8.931 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.262 -6.354 8.774 1.00 0.61 C ATOM 0 H PHE A 95 8.617 -10.237 6.085 1.00 0.23 H new ATOM 0 HA PHE A 95 8.888 -7.962 4.461 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.556 -9.095 6.725 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.900 -7.550 5.973 1.00 0.29 H new ATOM 0 HD1 PHE A 95 9.302 -5.663 6.209 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.685 -9.372 8.209 1.00 0.41 H new ATOM 0 HE1 PHE A 95 7.673 -4.590 7.692 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.053 -8.296 9.700 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.543 -5.873 9.421 1.00 0.61 H new ATOM 1075 N GLN A 96 10.872 -10.405 3.792 1.00 0.21 N ATOM 1076 CA GLN A 96 11.879 -10.891 2.859 1.00 0.24 C ATOM 1077 C GLN A 96 11.308 -10.976 1.457 1.00 0.21 C ATOM 1078 O GLN A 96 12.031 -10.855 0.469 1.00 0.25 O ATOM 1079 CB GLN A 96 12.405 -12.252 3.293 1.00 0.33 C ATOM 1080 CG GLN A 96 13.160 -12.210 4.612 1.00 1.06 C ATOM 1081 CD GLN A 96 14.273 -11.179 4.611 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.411 -11.471 4.245 1.00 2.08 O ATOM 1083 NE2 GLN A 96 13.953 -9.962 5.024 1.00 1.93 N ATOM 0 H GLN A 96 10.409 -11.136 4.331 1.00 0.21 H new ATOM 0 HA GLN A 96 12.708 -10.184 2.858 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.569 -12.946 3.382 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.063 -12.644 2.518 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.463 -11.986 5.419 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.581 -13.194 4.818 1.00 1.06 H new ATOM 0 HE21 GLN A 96 12.998 -9.758 5.320 1.00 1.93 H new ATOM 0 HE22 GLN A 96 14.661 -9.228 5.046 1.00 1.93 H new ATOM 1092 N LYS A 97 10.004 -11.184 1.375 1.00 0.18 N ATOM 1093 CA LYS A 97 9.303 -11.125 0.109 1.00 0.19 C ATOM 1094 C LYS A 97 9.211 -9.671 -0.307 1.00 0.17 C ATOM 1095 O LYS A 97 9.194 -9.336 -1.487 1.00 0.20 O ATOM 1096 CB LYS A 97 7.899 -11.707 0.270 1.00 0.23 C ATOM 1097 CG LYS A 97 7.597 -12.892 -0.623 1.00 0.26 C ATOM 1098 CD LYS A 97 7.390 -12.475 -2.067 1.00 0.25 C ATOM 1099 CE LYS A 97 6.805 -13.616 -2.883 1.00 0.38 C ATOM 1100 NZ LYS A 97 5.528 -14.111 -2.301 1.00 1.43 N ATOM 0 H LYS A 97 9.410 -11.396 2.176 1.00 0.18 H new ATOM 0 HA LYS A 97 9.835 -11.702 -0.647 1.00 0.19 H new ATOM 0 HB2 LYS A 97 7.763 -12.008 1.309 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.170 -10.922 0.068 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.417 -13.608 -0.566 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.704 -13.401 -0.261 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.723 -11.614 -2.109 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.341 -12.164 -2.500 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.633 -13.281 -3.906 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.524 -14.434 -2.932 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 5.682 -15.045 -1.869 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 5.196 -13.444 -1.575 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 4.812 -14.190 -3.051 1.00 1.43 H new ATOM 1114 N PHE A 98 9.198 -8.819 0.706 1.00 0.16 N ATOM 1115 CA PHE A 98 9.073 -7.388 0.532 1.00 0.16 C ATOM 1116 C PHE A 98 10.435 -6.722 0.475 1.00 0.20 C ATOM 1117 O PHE A 98 10.566 -5.518 0.709 1.00 0.22 O ATOM 1118 CB PHE A 98 8.259 -6.803 1.670 1.00 0.15 C ATOM 1119 CG PHE A 98 6.789 -6.966 1.465 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.047 -6.014 0.792 1.00 0.11 C ATOM 1121 CD2 PHE A 98 6.148 -8.080 1.963 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.691 -6.175 0.623 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.798 -8.251 1.793 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.069 -7.238 1.051 1.00 0.12 C ATOM 0 H PHE A 98 9.275 -9.109 1.681 1.00 0.16 H new ATOM 0 HA PHE A 98 8.565 -7.201 -0.414 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.548 -7.285 2.604 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.493 -5.743 1.772 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.536 -5.136 0.395 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.717 -8.829 2.494 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.127 -5.401 0.123 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.292 -9.114 2.199 1.00 0.13 H new ATOM 0 HZ PHE A 98 3.015 -7.365 0.854 1.00 0.12 H new ATOM 1134 N CYS A 99 11.448 -7.511 0.182 1.00 0.26 N ATOM 1135 CA CYS A 99 12.779 -6.987 0.001 1.00 0.31 C ATOM 1136 C CYS A 99 12.886 -6.296 -1.344 1.00 0.23 C ATOM 1137 O CYS A 99 13.389 -6.865 -2.315 1.00 0.27 O ATOM 1138 CB CYS A 99 13.798 -8.108 0.089 1.00 0.45 C ATOM 1139 SG CYS A 99 14.283 -8.544 1.772 1.00 1.20 S ATOM 0 H CYS A 99 11.371 -8.521 0.064 1.00 0.26 H new ATOM 0 HA CYS A 99 12.982 -6.263 0.790 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.390 -8.993 -0.399 1.00 0.45 H new ATOM 0 HB3 CYS A 99 14.688 -7.818 -0.469 1.00 0.45 H new ATOM 0 HG CYS A 99 15.152 -9.510 1.737 1.00 1.20 H new ATOM 1145 N MET A 100 12.401 -5.075 -1.399 1.00 0.19 N ATOM 1146 CA MET A 100 12.514 -4.271 -2.591 1.00 0.16 C ATOM 1147 C MET A 100 13.271 -3.006 -2.299 1.00 0.17 C ATOM 1148 O MET A 100 13.106 -2.394 -1.245 1.00 0.20 O ATOM 1149 CB MET A 100 11.145 -3.879 -3.162 1.00 0.22 C ATOM 1150 CG MET A 100 10.449 -4.966 -3.956 1.00 0.22 C ATOM 1151 SD MET A 100 9.570 -6.139 -2.912 1.00 0.13 S ATOM 1152 CE MET A 100 8.364 -5.066 -2.138 1.00 0.18 C ATOM 0 H MET A 100 11.921 -4.616 -0.624 1.00 0.19 H new ATOM 0 HA MET A 100 13.042 -4.881 -3.324 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.497 -3.579 -2.339 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.271 -3.006 -3.802 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.746 -4.508 -4.651 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.186 -5.501 -4.555 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.567 -5.002 -1.069 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.426 -4.071 -2.579 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.364 -5.471 -2.294 1.00 0.18 H new ATOM 1162 N SER A 101 14.127 -2.642 -3.218 1.00 0.16 N ATOM 1163 CA SER A 101 14.553 -1.274 -3.321 1.00 0.18 C ATOM 1164 C SER A 101 13.427 -0.568 -4.057 1.00 0.14 C ATOM 1165 O SER A 101 12.656 -1.237 -4.724 1.00 0.15 O ATOM 1166 CB SER A 101 15.874 -1.190 -4.085 1.00 0.24 C ATOM 1167 OG SER A 101 16.813 -2.114 -3.552 1.00 1.26 O ATOM 0 H SER A 101 14.541 -3.273 -3.904 1.00 0.16 H new ATOM 0 HA SER A 101 14.737 -0.814 -2.350 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.705 -1.401 -5.141 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.274 -0.178 -4.023 1.00 0.24 H new ATOM 0 HG SER A 101 17.654 -2.051 -4.052 1.00 1.26 H new ATOM 1173 N GLY A 102 13.275 0.728 -3.904 1.00 0.13 N ATOM 1174 CA GLY A 102 12.163 1.419 -4.531 1.00 0.14 C ATOM 1175 C GLY A 102 11.996 1.093 -6.004 1.00 0.14 C ATOM 1176 O GLY A 102 10.882 0.858 -6.470 1.00 0.16 O ATOM 0 H GLY A 102 13.898 1.323 -3.358 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.244 1.163 -4.004 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.305 2.494 -4.419 1.00 0.14 H new ATOM 1180 N ALA A 103 13.093 1.066 -6.744 1.00 0.17 N ATOM 1181 CA ALA A 103 13.028 0.731 -8.156 1.00 0.21 C ATOM 1182 C ALA A 103 12.479 -0.678 -8.343 1.00 0.21 C ATOM 1183 O ALA A 103 11.730 -0.945 -9.278 1.00 0.25 O ATOM 1184 CB ALA A 103 14.397 0.870 -8.801 1.00 0.26 C ATOM 0 H ALA A 103 14.029 1.270 -6.395 1.00 0.17 H new ATOM 0 HA ALA A 103 12.350 1.429 -8.648 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.329 0.615 -9.859 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.745 1.898 -8.697 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.100 0.197 -8.310 1.00 0.26 H new ATOM 1190 N ALA A 104 12.844 -1.563 -7.428 1.00 0.19 N ATOM 1191 CA ALA A 104 12.315 -2.914 -7.409 1.00 0.20 C ATOM 1192 C ALA A 104 10.855 -2.898 -6.982 1.00 0.16 C ATOM 1193 O ALA A 104 10.023 -3.587 -7.576 1.00 0.17 O ATOM 1194 CB ALA A 104 13.127 -3.791 -6.471 1.00 0.22 C ATOM 0 H ALA A 104 13.511 -1.365 -6.683 1.00 0.19 H new ATOM 0 HA ALA A 104 12.384 -3.328 -8.415 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.716 -4.800 -6.470 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.163 -3.822 -6.808 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.085 -3.381 -5.462 1.00 0.22 H new ATOM 1200 N LEU A 105 10.550 -2.125 -5.930 1.00 0.12 N ATOM 1201 CA LEU A 105 9.183 -1.906 -5.483 1.00 0.09 C ATOM 1202 C LEU A 105 8.277 -1.533 -6.637 1.00 0.12 C ATOM 1203 O LEU A 105 7.161 -1.998 -6.753 1.00 0.13 O ATOM 1204 CB LEU A 105 9.133 -0.775 -4.449 1.00 0.09 C ATOM 1205 CG LEU A 105 7.737 -0.530 -3.901 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.269 -1.724 -3.095 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.690 0.726 -3.071 1.00 0.14 C ATOM 0 H LEU A 105 11.250 -1.638 -5.371 1.00 0.12 H new ATOM 0 HA LEU A 105 8.837 -2.840 -5.040 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.804 -1.015 -3.624 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.504 0.143 -4.905 1.00 0.09 H new ATOM 0 HG LEU A 105 7.061 -0.395 -4.745 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.268 -1.533 -2.709 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.250 -2.608 -3.732 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.952 -1.892 -2.263 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.679 0.875 -2.693 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.381 0.634 -2.233 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.976 1.579 -3.686 1.00 0.14 H new ATOM 1219 N CYS A 106 8.755 -0.623 -7.426 1.00 0.21 N ATOM 1220 CA CYS A 106 8.085 -0.222 -8.638 1.00 0.31 C ATOM 1221 C CYS A 106 8.053 -1.341 -9.679 1.00 0.34 C ATOM 1222 O CYS A 106 6.980 -1.725 -10.156 1.00 0.40 O ATOM 1223 CB CYS A 106 8.799 0.999 -9.203 1.00 0.39 C ATOM 1224 SG CYS A 106 8.240 1.508 -10.844 1.00 0.74 S ATOM 0 H CYS A 106 9.630 -0.128 -7.251 1.00 0.21 H new ATOM 0 HA CYS A 106 7.048 0.015 -8.398 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.665 1.833 -8.514 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.868 0.790 -9.247 1.00 0.39 H new ATOM 0 HG CYS A 106 9.045 2.414 -11.315 1.00 0.74 H new ATOM 1230 N ALA A 107 9.233 -1.856 -10.023 1.00 0.33 N ATOM 1231 CA ALA A 107 9.396 -2.826 -11.106 1.00 0.41 C ATOM 1232 C ALA A 107 8.498 -4.055 -10.997 1.00 0.38 C ATOM 1233 O ALA A 107 8.165 -4.656 -12.020 1.00 0.46 O ATOM 1234 CB ALA A 107 10.851 -3.263 -11.194 1.00 0.47 C ATOM 0 H ALA A 107 10.106 -1.611 -9.557 1.00 0.33 H new ATOM 0 HA ALA A 107 9.087 -2.309 -12.014 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.966 -3.985 -12.002 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.480 -2.395 -11.391 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.151 -3.722 -10.252 1.00 0.47 H new ATOM 1240 N LEU A 108 8.122 -4.453 -9.786 1.00 0.29 N ATOM 1241 CA LEU A 108 7.314 -5.658 -9.618 1.00 0.26 C ATOM 1242 C LEU A 108 5.980 -5.572 -10.366 1.00 0.26 C ATOM 1243 O LEU A 108 5.552 -6.540 -10.994 1.00 0.28 O ATOM 1244 CB LEU A 108 7.099 -6.007 -8.128 1.00 0.21 C ATOM 1245 CG LEU A 108 6.865 -4.846 -7.147 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.496 -4.186 -7.344 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.021 -5.346 -5.720 1.00 0.19 C ATOM 0 H LEU A 108 8.358 -3.969 -8.920 1.00 0.29 H new ATOM 0 HA LEU A 108 7.882 -6.473 -10.067 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.244 -6.679 -8.061 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.971 -6.565 -7.785 1.00 0.21 H new ATOM 0 HG LEU A 108 7.614 -4.080 -7.349 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.378 -3.372 -6.628 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.425 -3.791 -8.357 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.710 -4.925 -7.186 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.855 -4.522 -5.026 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.293 -6.134 -5.529 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.027 -5.741 -5.581 1.00 0.19 H new ATOM 1259 N GLY A 109 5.344 -4.411 -10.332 1.00 0.27 N ATOM 1260 CA GLY A 109 4.024 -4.278 -10.913 1.00 0.32 C ATOM 1261 C GLY A 109 2.971 -4.951 -10.054 1.00 0.27 C ATOM 1262 O GLY A 109 3.302 -5.742 -9.164 1.00 0.23 O ATOM 0 H GLY A 109 5.717 -3.559 -9.913 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.781 -3.222 -11.029 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.018 -4.718 -11.910 1.00 0.32 H new ATOM 1266 N LYS A 110 1.710 -4.625 -10.301 1.00 0.33 N ATOM 1267 CA LYS A 110 0.601 -5.205 -9.548 1.00 0.36 C ATOM 1268 C LYS A 110 0.709 -6.733 -9.478 1.00 0.26 C ATOM 1269 O LYS A 110 0.676 -7.304 -8.386 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.750 -4.755 -10.157 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.701 -5.885 -10.540 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.373 -6.512 -9.341 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.755 -7.963 -9.604 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.737 -8.086 -10.712 1.00 0.67 N ATOM 0 H LYS A 110 1.426 -3.959 -11.020 1.00 0.33 H new ATOM 0 HA LYS A 110 0.652 -4.838 -8.523 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.254 -4.105 -9.442 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.548 -4.156 -11.045 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.462 -5.500 -11.218 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.148 -6.651 -11.084 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.705 -6.462 -8.482 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.266 -5.941 -9.084 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.860 -8.536 -9.847 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.175 -8.398 -8.697 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -4.035 -9.078 -10.803 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.567 -7.493 -10.508 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.298 -7.773 -11.601 1.00 0.67 H new ATOM 1288 N GLU A 111 0.839 -7.390 -10.633 1.00 0.25 N ATOM 1289 CA GLU A 111 0.834 -8.853 -10.689 1.00 0.31 C ATOM 1290 C GLU A 111 1.845 -9.470 -9.728 1.00 0.27 C ATOM 1291 O GLU A 111 1.525 -10.411 -9.007 1.00 0.39 O ATOM 1292 CB GLU A 111 1.088 -9.347 -12.119 1.00 0.48 C ATOM 1293 CG GLU A 111 2.373 -8.833 -12.747 1.00 1.39 C ATOM 1294 CD GLU A 111 2.657 -9.471 -14.090 1.00 1.95 C ATOM 1295 OE1 GLU A 111 2.105 -8.996 -15.108 1.00 2.54 O ATOM 1296 OE2 GLU A 111 3.436 -10.447 -14.142 1.00 2.46 O ATOM 0 H GLU A 111 0.949 -6.934 -11.539 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.158 -9.178 -10.374 1.00 0.31 H new ATOM 0 HB2 GLU A 111 1.112 -10.437 -12.114 1.00 0.48 H new ATOM 0 HB3 GLU A 111 0.248 -9.050 -12.747 1.00 0.48 H new ATOM 0 HG2 GLU A 111 2.307 -7.752 -12.869 1.00 1.39 H new ATOM 0 HG3 GLU A 111 3.207 -9.028 -12.072 1.00 1.39 H new ATOM 1303 N CYS A 112 3.042 -8.919 -9.693 1.00 0.21 N ATOM 1304 CA CYS A 112 4.089 -9.469 -8.860 1.00 0.18 C ATOM 1305 C CYS A 112 3.835 -9.135 -7.398 1.00 0.15 C ATOM 1306 O CYS A 112 3.884 -10.019 -6.548 1.00 0.17 O ATOM 1307 CB CYS A 112 5.460 -8.962 -9.298 1.00 0.21 C ATOM 1308 SG CYS A 112 6.850 -9.650 -8.366 1.00 1.36 S ATOM 0 H CYS A 112 3.312 -8.095 -10.230 1.00 0.21 H new ATOM 0 HA CYS A 112 4.080 -10.553 -8.974 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.598 -9.193 -10.354 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.478 -7.876 -9.204 1.00 0.21 H new ATOM 0 HG CYS A 112 7.964 -9.156 -8.819 1.00 1.36 H new ATOM 1314 N PHE A 113 3.557 -7.862 -7.112 1.00 0.13 N ATOM 1315 CA PHE A 113 3.323 -7.407 -5.744 1.00 0.12 C ATOM 1316 C PHE A 113 2.223 -8.217 -5.042 1.00 0.13 C ATOM 1317 O PHE A 113 2.370 -8.613 -3.888 1.00 0.14 O ATOM 1318 CB PHE A 113 2.956 -5.912 -5.728 1.00 0.12 C ATOM 1319 CG PHE A 113 3.245 -5.250 -4.407 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.492 -5.571 -3.292 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.295 -4.345 -4.263 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.767 -5.008 -2.070 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.575 -3.790 -3.036 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.812 -4.122 -1.939 1.00 0.10 C ATOM 0 H PHE A 113 3.489 -7.126 -7.815 1.00 0.13 H new ATOM 0 HA PHE A 113 4.252 -7.562 -5.195 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.510 -5.399 -6.514 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.897 -5.801 -5.960 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.677 -6.274 -3.384 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.893 -4.077 -5.121 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.163 -5.261 -1.211 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.394 -3.093 -2.933 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.034 -3.687 -0.976 1.00 0.10 H new ATOM 1334 N LEU A 114 1.118 -8.468 -5.710 1.00 0.14 N ATOM 1335 CA LEU A 114 0.005 -9.123 -5.031 1.00 0.17 C ATOM 1336 C LEU A 114 0.264 -10.610 -4.900 1.00 0.22 C ATOM 1337 O LEU A 114 -0.328 -11.287 -4.063 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.329 -8.882 -5.718 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.539 -7.496 -6.324 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.015 -7.183 -6.366 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.806 -6.401 -5.578 1.00 0.50 C ATOM 0 H LEU A 114 0.961 -8.240 -6.692 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.062 -8.676 -4.039 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.444 -9.622 -6.510 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.124 -9.063 -4.994 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.123 -7.523 -7.331 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.165 -6.194 -6.798 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.528 -7.927 -6.976 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.420 -7.202 -5.354 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -0.997 -5.442 -6.060 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.157 -6.365 -4.547 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.264 -6.606 -5.590 1.00 0.50 H new ATOM 1353 N GLU A 115 1.136 -11.117 -5.753 1.00 0.22 N ATOM 1354 CA GLU A 115 1.642 -12.463 -5.599 1.00 0.28 C ATOM 1355 C GLU A 115 2.718 -12.473 -4.521 1.00 0.27 C ATOM 1356 O GLU A 115 3.071 -13.512 -3.962 1.00 0.37 O ATOM 1357 CB GLU A 115 2.228 -12.964 -6.912 1.00 0.37 C ATOM 1358 CG GLU A 115 1.182 -13.279 -7.967 1.00 0.48 C ATOM 1359 CD GLU A 115 0.324 -14.463 -7.589 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.774 -15.609 -7.790 1.00 2.21 O ATOM 1361 OE2 GLU A 115 -0.803 -14.256 -7.090 1.00 1.81 O ATOM 0 H GLU A 115 1.507 -10.614 -6.559 1.00 0.22 H new ATOM 0 HA GLU A 115 0.822 -13.121 -5.310 1.00 0.28 H new ATOM 0 HB2 GLU A 115 2.912 -12.212 -7.305 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.817 -13.860 -6.718 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.547 -12.406 -8.117 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.677 -13.480 -8.917 1.00 0.48 H new ATOM 1368 N LEU A 116 3.210 -11.282 -4.231 1.00 0.20 N ATOM 1369 CA LEU A 116 4.320 -11.077 -3.324 1.00 0.19 C ATOM 1370 C LEU A 116 3.835 -11.022 -1.874 1.00 0.22 C ATOM 1371 O LEU A 116 4.580 -11.331 -0.946 1.00 0.26 O ATOM 1372 CB LEU A 116 5.055 -9.800 -3.769 1.00 0.15 C ATOM 1373 CG LEU A 116 5.675 -8.920 -2.689 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.877 -8.186 -3.248 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.670 -7.914 -2.175 1.00 0.16 C ATOM 0 H LEU A 116 2.842 -10.417 -4.627 1.00 0.20 H new ATOM 0 HA LEU A 116 5.019 -11.912 -3.361 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.848 -10.093 -4.457 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.351 -9.189 -4.335 1.00 0.15 H new ATOM 0 HG LEU A 116 5.986 -9.561 -1.864 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.315 -7.559 -2.471 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.617 -8.909 -3.591 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.565 -7.561 -4.085 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.134 -7.297 -1.405 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.337 -7.280 -2.997 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.814 -8.439 -1.752 1.00 0.16 H new ATOM 1387 N ALA A 117 2.576 -10.659 -1.695 1.00 0.21 N ATOM 1388 CA ALA A 117 1.951 -10.660 -0.377 1.00 0.22 C ATOM 1389 C ALA A 117 0.614 -11.384 -0.446 1.00 0.23 C ATOM 1390 O ALA A 117 0.251 -11.884 -1.508 1.00 0.26 O ATOM 1391 CB ALA A 117 1.756 -9.232 0.120 1.00 0.22 C ATOM 0 H ALA A 117 1.960 -10.357 -2.450 1.00 0.21 H new ATOM 0 HA ALA A 117 2.602 -11.180 0.325 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.289 -9.250 1.105 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.724 -8.735 0.187 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.116 -8.689 -0.575 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.124 -11.506 0.674 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.528 -11.910 0.622 1.00 0.25 C ATOM 1399 C PRO A 118 -2.292 -11.079 -0.410 1.00 0.22 C ATOM 1400 O PRO A 118 -2.078 -9.877 -0.524 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.031 -11.607 2.029 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.831 -11.746 2.900 1.00 0.32 C ATOM 1403 CD PRO A 118 0.347 -11.318 2.064 1.00 0.29 C ATOM 0 HA PRO A 118 -1.662 -12.952 0.332 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.451 -10.603 2.091 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.818 -12.301 2.326 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -0.922 -11.125 3.791 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.714 -12.775 3.240 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.620 -10.281 2.258 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.228 -11.924 2.274 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.163 -11.734 -1.163 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.843 -11.119 -2.313 1.00 0.32 C ATOM 1413 C ASP A 119 -4.604 -9.829 -1.963 1.00 0.31 C ATOM 1414 O ASP A 119 -4.868 -9.014 -2.848 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.792 -12.125 -2.976 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.075 -12.356 -2.198 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -5.989 -12.724 -1.008 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.170 -12.145 -2.761 1.00 1.26 O ATOM 0 H ASP A 119 -3.424 -12.707 -1.001 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.056 -10.834 -3.011 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.042 -11.771 -3.976 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.273 -13.076 -3.096 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.958 -9.630 -0.696 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.616 -8.396 -0.292 1.00 0.32 C ATOM 1425 C PHE A 120 -4.564 -7.381 0.106 1.00 0.22 C ATOM 1426 O PHE A 120 -4.647 -6.205 -0.223 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.600 -8.642 0.858 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.353 -7.417 1.303 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.789 -6.470 0.385 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.630 -7.217 2.647 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.479 -5.349 0.804 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.321 -6.098 3.069 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.744 -5.163 2.147 1.00 1.86 C ATOM 0 H PHE A 120 -4.802 -10.299 0.058 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.193 -8.009 -1.132 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.317 -9.403 0.550 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.052 -9.046 1.709 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.587 -6.611 -0.666 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.301 -7.946 3.373 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.811 -4.618 0.082 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.530 -5.955 4.119 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.282 -4.286 2.475 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.547 -7.881 0.778 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.490 -7.065 1.328 1.00 0.17 C ATOM 1445 C VAL A 121 -1.581 -6.541 0.241 1.00 0.15 C ATOM 1446 O VAL A 121 -1.138 -5.396 0.292 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.685 -7.891 2.323 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.544 -7.078 2.912 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.632 -8.400 3.387 1.00 0.22 C ATOM 0 H VAL A 121 -3.432 -8.878 0.958 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.938 -6.209 1.832 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.222 -8.740 1.821 1.00 0.18 H new ATOM 0 HG11 VAL A 121 0.014 -7.692 3.619 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.121 -6.751 2.112 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -0.947 -6.206 3.428 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.078 -8.996 4.113 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.099 -7.555 3.892 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.402 -9.017 2.924 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.297 -7.389 -0.734 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.557 -6.959 -1.885 1.00 0.19 C ATOM 1461 C GLY A 122 -1.237 -5.796 -2.559 1.00 0.16 C ATOM 1462 O GLY A 122 -0.591 -4.824 -2.885 1.00 0.14 O ATOM 0 H GLY A 122 -1.571 -8.372 -0.742 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.452 -6.673 -1.587 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.459 -7.786 -2.589 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.553 -5.891 -2.740 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.326 -4.844 -3.404 1.00 0.19 C ATOM 1468 C ASP A 123 -3.493 -3.648 -2.475 1.00 0.13 C ATOM 1469 O ASP A 123 -3.497 -2.506 -2.917 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.683 -5.400 -3.856 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.647 -4.340 -4.357 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.345 -3.705 -5.386 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.680 -4.107 -3.702 1.00 1.07 O ATOM 0 H ASP A 123 -3.109 -6.689 -2.433 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.790 -4.505 -4.291 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.519 -6.131 -4.648 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.143 -5.930 -3.022 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.640 -3.926 -1.185 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.586 -2.892 -0.160 1.00 0.10 C ATOM 1480 C ILE A 124 -2.308 -2.072 -0.284 1.00 0.09 C ATOM 1481 O ILE A 124 -2.345 -0.860 -0.522 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.695 -3.511 1.258 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.159 -3.769 1.602 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.058 -2.611 2.315 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.350 -4.472 2.927 1.00 0.22 C ATOM 0 H ILE A 124 -3.799 -4.866 -0.823 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.437 -2.228 -0.310 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.151 -4.455 1.254 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.692 -2.819 1.623 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.610 -4.370 0.812 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.154 -3.077 3.296 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.003 -2.468 2.083 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.562 -1.645 2.322 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.414 -4.624 3.108 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.845 -5.438 2.903 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -4.929 -3.862 3.726 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.185 -2.735 -0.131 1.00 0.08 N ATOM 1498 CA LEU A 125 0.094 -2.099 -0.280 1.00 0.08 C ATOM 1499 C LEU A 125 0.278 -1.555 -1.688 1.00 0.09 C ATOM 1500 O LEU A 125 0.777 -0.456 -1.858 1.00 0.10 O ATOM 1501 CB LEU A 125 1.188 -3.083 0.098 1.00 0.08 C ATOM 1502 CG LEU A 125 1.552 -3.045 1.568 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.441 -4.216 1.934 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.238 -1.731 1.875 1.00 0.09 C ATOM 0 H LEU A 125 -1.137 -3.727 0.100 1.00 0.08 H new ATOM 0 HA LEU A 125 0.152 -1.242 0.391 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.865 -4.091 -0.162 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.078 -2.870 -0.494 1.00 0.08 H new ATOM 0 HG LEU A 125 0.644 -3.125 2.165 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.689 -4.167 2.994 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.917 -5.149 1.727 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.357 -4.175 1.345 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.503 -1.697 2.932 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.141 -1.642 1.272 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.564 -0.906 1.643 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.179 -2.295 -2.687 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.059 -1.859 -4.069 1.00 0.10 C ATOM 1518 C TRP A 126 -0.840 -0.570 -4.296 1.00 0.11 C ATOM 1519 O TRP A 126 -0.381 0.309 -5.021 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.525 -2.938 -5.048 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.590 -2.428 -6.446 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.714 -2.193 -7.169 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.515 -2.049 -7.270 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.379 -1.676 -8.399 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.012 -1.582 -8.484 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.898 -2.060 -7.095 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.800 -1.123 -9.517 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.703 -1.606 -8.121 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.152 -1.140 -9.317 1.00 0.25 C ATOM 0 H TRP A 126 -0.636 -3.199 -2.566 1.00 0.09 H new ATOM 0 HA TRP A 126 0.998 -1.672 -4.259 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.156 -3.788 -5.003 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.508 -3.301 -4.748 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.721 -2.383 -6.829 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.039 -1.406 -9.129 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.332 -2.417 -6.173 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.377 -0.766 -10.444 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.776 -1.611 -7.997 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.807 -0.786 -10.099 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.013 -0.455 -3.682 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.766 0.786 -3.744 1.00 0.12 C ATOM 1542 C GLU A 127 -1.921 1.923 -3.240 1.00 0.12 C ATOM 1543 O GLU A 127 -1.670 2.866 -3.962 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.059 0.719 -2.941 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.278 0.455 -3.797 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.604 1.587 -4.750 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.857 1.766 -5.730 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.573 2.330 -4.506 1.00 1.43 O ATOM 0 H GLU A 127 -2.456 -1.198 -3.142 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.033 0.950 -4.788 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -3.973 -0.067 -2.190 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.196 1.658 -2.405 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.118 -0.458 -4.371 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.136 0.278 -3.149 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.456 1.836 -2.006 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.640 2.916 -1.483 1.00 0.11 C ATOM 1557 C HIS A 128 0.627 3.072 -2.302 1.00 0.10 C ATOM 1558 O HIS A 128 1.128 4.177 -2.428 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.293 2.733 -0.006 1.00 0.11 C ATOM 1560 CG HIS A 128 0.142 4.020 0.637 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.108 5.289 0.167 1.00 0.14 N flip ATOM 1562 CD2 HIS A 128 0.652 4.104 1.913 1.00 0.14 C flip ATOM 1563 CE1 HIS A 128 0.584 6.108 1.156 1.00 0.15 C flip ATOM 1564 NE2 HIS A 128 0.905 5.372 2.199 1.00 0.15 N flip ATOM 0 H HIS A 128 -1.621 1.058 -1.367 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.237 3.825 -1.562 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.160 2.339 0.523 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.502 1.994 0.090 1.00 0.11 H new ATOM 0 HD1 HIS A 128 -0.214 5.582 -0.756 1.00 0.14 H new ATOM 0 HD2 HIS A 128 0.819 3.268 2.576 1.00 0.14 H new ATOM 0 HE1 HIS A 128 0.680 7.182 1.091 1.00 0.15 H new ATOM 1573 N LEU A 129 1.136 1.981 -2.861 1.00 0.10 N ATOM 1574 CA LEU A 129 2.257 2.050 -3.774 1.00 0.12 C ATOM 1575 C LEU A 129 1.896 2.976 -4.910 1.00 0.15 C ATOM 1576 O LEU A 129 2.631 3.914 -5.232 1.00 0.18 O ATOM 1577 CB LEU A 129 2.591 0.640 -4.294 1.00 0.11 C ATOM 1578 CG LEU A 129 3.766 0.538 -5.267 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.795 1.595 -4.957 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.408 -0.829 -5.163 1.00 0.13 C ATOM 0 H LEU A 129 0.785 1.038 -2.694 1.00 0.10 H new ATOM 0 HA LEU A 129 3.139 2.438 -3.265 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.800 -0.000 -3.437 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.705 0.237 -4.784 1.00 0.11 H new ATOM 0 HG LEU A 129 3.390 0.688 -6.279 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.626 1.511 -5.657 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.342 2.582 -5.049 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.163 1.458 -3.940 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.244 -0.892 -5.860 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.770 -0.985 -4.147 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.673 -1.596 -5.408 1.00 0.13 H new ATOM 1592 N GLU A 130 0.728 2.731 -5.464 1.00 0.17 N ATOM 1593 CA GLU A 130 0.214 3.526 -6.542 1.00 0.23 C ATOM 1594 C GLU A 130 -0.035 4.955 -6.059 1.00 0.25 C ATOM 1595 O GLU A 130 0.327 5.925 -6.717 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.082 2.894 -7.076 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.632 3.550 -8.332 1.00 0.69 C ATOM 1598 CD GLU A 130 -0.733 3.354 -9.534 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -0.752 2.251 -10.120 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -0.011 4.299 -9.901 1.00 1.73 O ATOM 0 H GLU A 130 0.112 1.972 -5.174 1.00 0.17 H new ATOM 0 HA GLU A 130 0.942 3.560 -7.352 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.899 1.840 -7.282 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.842 2.939 -6.296 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -2.618 3.139 -8.550 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -1.764 4.617 -8.152 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.634 5.060 -4.886 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.965 6.338 -4.271 1.00 0.21 C ATOM 1609 C ILE A 131 0.284 7.216 -4.016 1.00 0.22 C ATOM 1610 O ILE A 131 0.286 8.398 -4.346 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.750 6.120 -2.954 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.261 5.949 -3.203 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.552 7.293 -2.010 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.654 4.897 -4.224 1.00 0.23 C ATOM 0 H ILE A 131 -0.908 4.253 -4.326 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.595 6.877 -4.979 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.359 5.205 -2.509 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.739 5.703 -2.255 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.666 6.908 -3.525 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.112 7.119 -1.091 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.493 7.396 -1.775 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.909 8.207 -2.485 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.740 4.866 -4.315 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.215 5.146 -5.190 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.289 3.922 -3.901 1.00 0.23 H new ATOM 1626 N LEU A 132 1.344 6.654 -3.430 1.00 0.18 N ATOM 1627 CA LEU A 132 2.561 7.440 -3.159 1.00 0.20 C ATOM 1628 C LEU A 132 3.046 8.107 -4.429 1.00 0.25 C ATOM 1629 O LEU A 132 3.524 9.241 -4.420 1.00 0.29 O ATOM 1630 CB LEU A 132 3.706 6.574 -2.649 1.00 0.21 C ATOM 1631 CG LEU A 132 3.383 5.635 -1.507 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.120 4.338 -1.746 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.782 6.235 -0.163 1.00 0.25 C ATOM 0 H LEU A 132 1.391 5.678 -3.137 1.00 0.18 H new ATOM 0 HA LEU A 132 2.289 8.171 -2.398 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.083 5.981 -3.482 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.516 7.231 -2.332 1.00 0.21 H new ATOM 0 HG LEU A 132 2.307 5.461 -1.472 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.904 3.642 -0.935 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.796 3.905 -2.692 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.192 4.530 -1.783 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.536 5.535 0.635 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.854 6.431 -0.156 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.241 7.168 -0.006 1.00 0.25 H new ATOM 1645 N GLN A 133 2.896 7.387 -5.524 1.00 0.28 N ATOM 1646 CA GLN A 133 3.400 7.844 -6.793 1.00 0.38 C ATOM 1647 C GLN A 133 2.342 8.691 -7.491 1.00 0.37 C ATOM 1648 O GLN A 133 2.674 9.538 -8.317 1.00 0.47 O ATOM 1649 CB GLN A 133 3.858 6.651 -7.645 1.00 0.58 C ATOM 1650 CG GLN A 133 2.817 6.089 -8.600 1.00 0.79 C ATOM 1651 CD GLN A 133 3.011 4.606 -8.857 1.00 0.65 C ATOM 1652 OE1 GLN A 133 2.850 4.132 -9.977 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.315 3.853 -7.807 1.00 0.31 N ATOM 0 H GLN A 133 2.427 6.482 -5.554 1.00 0.28 H new ATOM 0 HA GLN A 133 4.275 8.476 -6.639 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.730 6.954 -8.224 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.181 5.853 -6.977 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.822 6.257 -8.188 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.866 6.629 -9.546 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.441 4.283 -6.891 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.422 2.845 -7.917 1.00 0.31 H new ATOM 1662 N LYS A 134 1.064 8.480 -7.145 1.00 0.36 N ATOM 1663 CA LYS A 134 -0.034 9.291 -7.656 1.00 0.44 C ATOM 1664 C LYS A 134 0.156 10.779 -7.368 1.00 0.50 C ATOM 1665 O LYS A 134 -0.274 11.623 -8.152 1.00 0.61 O ATOM 1666 CB LYS A 134 -1.372 8.779 -7.075 1.00 0.49 C ATOM 1667 CG LYS A 134 -2.137 9.784 -6.215 1.00 1.04 C ATOM 1668 CD LYS A 134 -2.303 9.260 -4.800 1.00 1.77 C ATOM 1669 CE LYS A 134 -3.117 10.182 -3.908 1.00 2.51 C ATOM 1670 NZ LYS A 134 -2.461 11.497 -3.705 1.00 3.42 N ATOM 0 H LYS A 134 0.770 7.743 -6.504 1.00 0.36 H new ATOM 0 HA LYS A 134 -0.048 9.188 -8.741 1.00 0.44 H new ATOM 0 HB2 LYS A 134 -2.013 8.470 -7.901 1.00 0.49 H new ATOM 0 HB3 LYS A 134 -1.173 7.890 -6.476 1.00 0.49 H new ATOM 0 HG2 LYS A 134 -1.604 10.735 -6.196 1.00 1.04 H new ATOM 0 HG3 LYS A 134 -3.116 9.976 -6.655 1.00 1.04 H new ATOM 0 HD2 LYS A 134 -2.785 8.283 -4.836 1.00 1.77 H new ATOM 0 HD3 LYS A 134 -1.318 9.114 -4.357 1.00 1.77 H new ATOM 0 HE2 LYS A 134 -4.102 10.335 -4.350 1.00 2.51 H new ATOM 0 HE3 LYS A 134 -3.272 9.703 -2.941 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 -3.143 12.258 -3.897 1.00 3.42 H new ATOM 0 HZ2 LYS A 134 -2.127 11.570 -2.723 1.00 3.42 H new ATOM 0 HZ3 LYS A 134 -1.652 11.585 -4.353 1.00 3.42 H new ATOM 1684 N GLU A 135 0.808 11.111 -6.262 1.00 0.57 N ATOM 1685 CA GLU A 135 1.029 12.510 -5.914 1.00 0.78 C ATOM 1686 C GLU A 135 1.907 13.220 -6.944 1.00 0.87 C ATOM 1687 O GLU A 135 1.954 14.450 -6.992 1.00 1.08 O ATOM 1688 CB GLU A 135 1.646 12.625 -4.528 1.00 0.91 C ATOM 1689 CG GLU A 135 0.646 12.389 -3.414 1.00 1.30 C ATOM 1690 CD GLU A 135 1.223 12.653 -2.042 1.00 1.73 C ATOM 1691 OE1 GLU A 135 1.334 13.837 -1.658 1.00 2.31 O ATOM 1692 OE2 GLU A 135 1.550 11.681 -1.334 1.00 2.15 O ATOM 0 H GLU A 135 1.190 10.440 -5.596 1.00 0.57 H new ATOM 0 HA GLU A 135 0.056 13.002 -5.912 1.00 0.78 H new ATOM 0 HB2 GLU A 135 2.459 11.905 -4.437 1.00 0.91 H new ATOM 0 HB3 GLU A 135 2.084 13.617 -4.412 1.00 0.91 H new ATOM 0 HG2 GLU A 135 -0.221 13.032 -3.568 1.00 1.30 H new ATOM 0 HG3 GLU A 135 0.292 11.359 -3.462 1.00 1.30 H new ATOM 1699 N ASP A 136 2.600 12.446 -7.764 1.00 0.86 N ATOM 1700 CA ASP A 136 3.405 13.009 -8.836 1.00 1.09 C ATOM 1701 C ASP A 136 3.230 12.166 -10.096 1.00 1.29 C ATOM 1702 O ASP A 136 4.126 12.064 -10.931 1.00 1.78 O ATOM 1703 CB ASP A 136 4.881 13.079 -8.421 1.00 1.62 C ATOM 1704 CG ASP A 136 5.728 13.871 -9.399 1.00 1.94 C ATOM 1705 OD1 ASP A 136 5.244 14.899 -9.913 1.00 2.53 O ATOM 1706 OD2 ASP A 136 6.890 13.480 -9.641 1.00 2.14 O ATOM 0 H ASP A 136 2.621 11.428 -7.708 1.00 0.86 H new ATOM 0 HA ASP A 136 3.071 14.026 -9.043 1.00 1.09 H new ATOM 0 HB2 ASP A 136 4.955 13.533 -7.433 1.00 1.62 H new ATOM 0 HB3 ASP A 136 5.279 12.068 -8.338 1.00 1.62 H new ATOM 1711 N VAL A 137 2.060 11.555 -10.231 1.00 1.29 N ATOM 1712 CA VAL A 137 1.796 10.695 -11.368 1.00 1.83 C ATOM 1713 C VAL A 137 1.353 11.527 -12.569 1.00 2.01 C ATOM 1714 O VAL A 137 0.283 12.136 -12.574 1.00 2.52 O ATOM 1715 CB VAL A 137 0.767 9.577 -11.038 1.00 2.28 C ATOM 1716 CG1 VAL A 137 -0.622 10.126 -10.733 1.00 2.82 C ATOM 1717 CG2 VAL A 137 0.707 8.559 -12.165 1.00 2.60 C ATOM 0 H VAL A 137 1.287 11.640 -9.571 1.00 1.29 H new ATOM 0 HA VAL A 137 2.727 10.188 -11.622 1.00 1.83 H new ATOM 0 HB VAL A 137 1.115 9.084 -10.130 1.00 2.28 H new ATOM 0 HG11 VAL A 137 -1.298 9.301 -10.510 1.00 2.82 H new ATOM 0 HG12 VAL A 137 -0.569 10.794 -9.873 1.00 2.82 H new ATOM 0 HG13 VAL A 137 -0.994 10.676 -11.597 1.00 2.82 H new ATOM 0 HG21 VAL A 137 -0.018 7.784 -11.917 1.00 2.60 H new ATOM 0 HG22 VAL A 137 0.407 9.055 -13.088 1.00 2.60 H new ATOM 0 HG23 VAL A 137 1.690 8.107 -12.300 1.00 2.60 H new ATOM 1727 N LYS A 138 2.219 11.592 -13.560 1.00 2.28 N ATOM 1728 CA LYS A 138 1.943 12.339 -14.769 1.00 2.78 C ATOM 1729 C LYS A 138 2.691 11.712 -15.931 1.00 3.41 C ATOM 1730 O LYS A 138 2.039 11.086 -16.788 1.00 4.06 O ATOM 1731 CB LYS A 138 2.348 13.807 -14.610 1.00 3.26 C ATOM 1732 CG LYS A 138 2.030 14.654 -15.832 1.00 3.81 C ATOM 1733 CD LYS A 138 2.519 16.080 -15.668 1.00 4.63 C ATOM 1734 CE LYS A 138 2.195 16.920 -16.891 1.00 5.26 C ATOM 1735 NZ LYS A 138 2.743 18.296 -16.781 1.00 5.57 N ATOM 1736 OXT LYS A 138 3.936 11.806 -15.956 1.00 3.77 O ATOM 0 H LYS A 138 3.129 11.131 -13.550 1.00 2.28 H new ATOM 0 HA LYS A 138 0.871 12.306 -14.965 1.00 2.78 H new ATOM 0 HB2 LYS A 138 1.837 14.226 -13.743 1.00 3.26 H new ATOM 0 HB3 LYS A 138 3.417 13.862 -14.407 1.00 3.26 H new ATOM 0 HG2 LYS A 138 2.493 14.210 -16.713 1.00 3.81 H new ATOM 0 HG3 LYS A 138 0.954 14.656 -16.004 1.00 3.81 H new ATOM 0 HD2 LYS A 138 2.058 16.525 -14.786 1.00 4.63 H new ATOM 0 HD3 LYS A 138 3.596 16.080 -15.499 1.00 4.63 H new ATOM 0 HE2 LYS A 138 2.601 16.438 -17.780 1.00 5.26 H new ATOM 0 HE3 LYS A 138 1.114 16.969 -17.021 1.00 5.26 H new ATOM 0 HZ1 LYS A 138 2.500 18.836 -17.636 1.00 5.57 H new ATOM 0 HZ2 LYS A 138 2.336 18.766 -15.947 1.00 5.57 H new ATOM 0 HZ3 LYS A 138 3.777 18.251 -16.683 1.00 5.57 H new TER 1750 LYS A 138