USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 42 MET CE :methyl -100:sc= -0.0236 (180deg=-0.632) USER MOD Set 1.2: A 44 ASN : amide:sc= -0.0987 X(o=-1.1,f=-1.2) USER MOD Set 1.3: A 45 ASN :FLIP amide:sc= -0.954 F(o=-1.8,f=-1.1) USER MOD Single : A 3 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.27) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc=-0.00374 (180deg=-0.174) USER MOD Single : A 27 HIS : no HD1:sc=-0.00278 X(o=-0.0028,f=-0.0026) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -0.0264 (180deg=-0.323) USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= -0.0914 (180deg=-0.163) USER MOD Single : A 46 THR OG1 : rot -140:sc= 0.249 USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.386) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.198 F(o=-1.8,f=-0.2) USER MOD Single : A 54 TYR OH : rot -72:sc= 0.516 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 133:sc= -1.73! (180deg=-4.48!) USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.173 (180deg=-0.952) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.0211 (180deg=-0.226) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= -0.043 (180deg=-0.0639) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.106 (180deg=-0.702) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -139:sc= -1.37 (180deg=-3.72!) USER MOD Single : A 82 BME O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 2.250 -14.163 5.086 1.00 0.00 N ATOM 2 CA ASN A 3 2.825 -12.848 4.671 1.00 0.00 C ATOM 3 C ASN A 3 2.210 -12.356 3.351 1.00 0.00 C ATOM 4 O ASN A 3 1.326 -12.996 2.819 1.00 0.00 O ATOM 5 CB ASN A 3 4.352 -13.008 4.521 1.00 0.00 C ATOM 6 CG ASN A 3 4.964 -13.387 5.874 1.00 0.00 C ATOM 7 OD1 ASN A 3 4.827 -14.497 6.347 1.00 0.00 O ATOM 8 ND2 ASN A 3 5.645 -12.490 6.533 1.00 0.00 N ATOM 0 HA ASN A 3 2.595 -12.103 5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.576 -13.776 3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.792 -12.079 4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.056 -12.724 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.766 -11.555 6.145 1.00 0.00 H new ATOM 15 N ALA A 4 2.732 -11.230 2.910 1.00 0.00 N ATOM 16 CA ALA A 4 2.360 -10.481 1.654 1.00 0.00 C ATOM 17 C ALA A 4 1.926 -9.056 2.078 1.00 0.00 C ATOM 18 O ALA A 4 0.749 -8.757 2.089 1.00 0.00 O ATOM 19 CB ALA A 4 1.169 -11.157 0.886 1.00 0.00 C ATOM 0 H ALA A 4 3.475 -10.757 3.425 1.00 0.00 H new ATOM 0 HA ALA A 4 3.220 -10.474 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.940 -10.580 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.448 -12.172 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.291 -11.189 1.531 1.00 0.00 H new ATOM 25 N PRO A 5 2.889 -8.218 2.420 1.00 0.00 N ATOM 26 CA PRO A 5 2.645 -6.848 2.961 1.00 0.00 C ATOM 27 C PRO A 5 1.458 -6.124 2.340 1.00 0.00 C ATOM 28 O PRO A 5 0.457 -5.896 2.989 1.00 0.00 O ATOM 29 CB PRO A 5 3.995 -6.150 2.761 1.00 0.00 C ATOM 30 CG PRO A 5 4.976 -7.303 3.071 1.00 0.00 C ATOM 31 CD PRO A 5 4.353 -8.496 2.311 1.00 0.00 C ATOM 0 HA PRO A 5 2.338 -6.863 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.115 -5.769 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.126 -5.305 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.984 -7.082 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.046 -7.497 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.683 -8.533 1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.620 -9.450 2.765 1.00 0.00 H new ATOM 39 N LYS A 6 1.688 -5.835 1.088 1.00 0.00 N ATOM 40 CA LYS A 6 0.783 -5.123 0.109 1.00 0.00 C ATOM 41 C LYS A 6 1.569 -3.952 -0.504 1.00 0.00 C ATOM 42 O LYS A 6 2.764 -3.850 -0.293 1.00 0.00 O ATOM 43 CB LYS A 6 -0.511 -4.556 0.802 1.00 0.00 C ATOM 44 CG LYS A 6 -0.197 -3.461 1.869 1.00 0.00 C ATOM 45 CD LYS A 6 -1.383 -3.398 2.859 1.00 0.00 C ATOM 46 CE LYS A 6 -0.944 -2.695 4.150 1.00 0.00 C ATOM 47 NZ LYS A 6 -2.036 -2.764 5.163 1.00 0.00 N ATOM 0 H LYS A 6 2.572 -6.094 0.651 1.00 0.00 H new ATOM 0 HA LYS A 6 0.467 -5.839 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.171 -4.137 0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.051 -5.375 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.727 -3.698 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.050 -2.493 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.218 -2.862 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.735 -4.405 3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.042 -3.166 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.695 -1.655 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.731 -2.286 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.886 -2.295 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.253 -3.759 5.372 1.00 0.00 H new ATOM 61 N ARG A 7 0.890 -3.105 -1.241 1.00 0.00 N ATOM 62 CA ARG A 7 1.585 -1.942 -1.873 1.00 0.00 C ATOM 63 C ARG A 7 1.231 -0.673 -1.060 1.00 0.00 C ATOM 64 O ARG A 7 0.061 -0.380 -0.901 1.00 0.00 O ATOM 65 CB ARG A 7 1.105 -1.741 -3.328 1.00 0.00 C ATOM 66 CG ARG A 7 1.241 -3.023 -4.177 1.00 0.00 C ATOM 67 CD ARG A 7 1.010 -2.633 -5.655 1.00 0.00 C ATOM 68 NE ARG A 7 0.980 -3.866 -6.500 1.00 0.00 N ATOM 69 CZ ARG A 7 -0.024 -4.074 -7.313 1.00 0.00 C ATOM 70 NH1 ARG A 7 -1.211 -4.296 -6.817 1.00 0.00 N ATOM 71 NH2 ARG A 7 0.195 -4.046 -8.599 1.00 0.00 N ATOM 0 H ARG A 7 -0.110 -3.169 -1.431 1.00 0.00 H new ATOM 0 HA ARG A 7 2.659 -2.126 -1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.063 -1.421 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.682 -0.940 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.229 -3.465 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.514 -3.771 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.071 -2.088 -5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.803 -1.967 -5.994 1.00 0.00 H new ATOM 0 HE ARG A 7 1.740 -4.543 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.348 -4.306 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.002 -4.460 -7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.134 -3.865 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.573 -4.206 -9.251 1.00 0.00 H new ATOM 85 N PRO A 8 2.223 0.041 -0.563 1.00 0.00 N ATOM 86 CA PRO A 8 2.023 1.299 0.228 1.00 0.00 C ATOM 87 C PRO A 8 1.234 2.401 -0.522 1.00 0.00 C ATOM 88 O PRO A 8 0.844 2.197 -1.654 1.00 0.00 O ATOM 89 CB PRO A 8 3.454 1.720 0.599 1.00 0.00 C ATOM 90 CG PRO A 8 4.294 1.115 -0.522 1.00 0.00 C ATOM 91 CD PRO A 8 3.675 -0.267 -0.711 1.00 0.00 C ATOM 0 HA PRO A 8 1.393 1.133 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.557 2.804 0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.747 1.335 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.238 1.710 -1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.347 1.051 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.908 -0.692 -1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.023 -0.979 0.037 1.00 0.00 H new ATOM 99 N PRO A 9 1.018 3.524 0.137 1.00 0.00 N ATOM 100 CA PRO A 9 0.452 4.781 -0.452 1.00 0.00 C ATOM 101 C PRO A 9 0.755 5.173 -1.914 1.00 0.00 C ATOM 102 O PRO A 9 1.400 4.463 -2.661 1.00 0.00 O ATOM 103 CB PRO A 9 0.897 5.838 0.554 1.00 0.00 C ATOM 104 CG PRO A 9 0.684 5.097 1.889 1.00 0.00 C ATOM 105 CD PRO A 9 1.301 3.720 1.597 1.00 0.00 C ATOM 0 HA PRO A 9 -0.622 4.647 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.937 6.131 0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.297 6.746 0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.183 5.599 2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.372 5.023 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.371 3.705 1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.846 2.937 2.204 1.00 0.00 H new ATOM 113 N SER A 10 0.259 6.338 -2.258 1.00 0.00 N ATOM 114 CA SER A 10 0.428 6.908 -3.632 1.00 0.00 C ATOM 115 C SER A 10 1.422 8.078 -3.709 1.00 0.00 C ATOM 116 O SER A 10 2.115 8.204 -4.701 1.00 0.00 O ATOM 117 CB SER A 10 -0.951 7.378 -4.127 1.00 0.00 C ATOM 118 OG SER A 10 -1.744 6.202 -4.113 1.00 0.00 O ATOM 0 H SER A 10 -0.272 6.934 -1.623 1.00 0.00 H new ATOM 0 HA SER A 10 0.844 6.120 -4.259 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.367 8.147 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.891 7.806 -5.128 1.00 0.00 H new ATOM 0 HG SER A 10 -2.651 6.415 -4.417 1.00 0.00 H new ATOM 124 N ALA A 11 1.438 8.867 -2.663 1.00 0.00 N ATOM 125 CA ALA A 11 2.301 10.092 -2.477 1.00 0.00 C ATOM 126 C ALA A 11 1.241 11.118 -2.075 1.00 0.00 C ATOM 127 O ALA A 11 1.334 11.847 -1.104 1.00 0.00 O ATOM 128 CB ALA A 11 2.958 10.586 -3.776 1.00 0.00 C ATOM 0 H ALA A 11 0.834 8.697 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 11 3.124 9.914 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.562 11.468 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.593 9.800 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.185 10.840 -4.501 1.00 0.00 H new ATOM 134 N PHE A 12 0.239 11.092 -2.912 1.00 0.00 N ATOM 135 CA PHE A 12 -0.955 11.951 -2.800 1.00 0.00 C ATOM 136 C PHE A 12 -1.630 11.592 -1.490 1.00 0.00 C ATOM 137 O PHE A 12 -2.281 12.413 -0.885 1.00 0.00 O ATOM 138 CB PHE A 12 -1.841 11.640 -4.001 1.00 0.00 C ATOM 139 CG PHE A 12 -3.269 12.170 -3.824 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.543 13.450 -4.214 1.00 0.00 C ATOM 141 CD2 PHE A 12 -4.286 11.397 -3.290 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.797 13.972 -4.094 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.561 11.923 -3.169 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.813 13.209 -3.569 1.00 0.00 C ATOM 0 H PHE A 12 0.210 10.466 -3.716 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.729 13.017 -2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.402 12.079 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.873 10.562 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.752 14.060 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.085 10.386 -2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.992 14.986 -4.412 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.357 11.319 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.806 13.622 -3.472 1.00 0.00 H new ATOM 154 N PHE A 13 -1.445 10.365 -1.086 1.00 0.00 N ATOM 155 CA PHE A 13 -2.072 9.923 0.178 1.00 0.00 C ATOM 156 C PHE A 13 -1.527 10.706 1.392 1.00 0.00 C ATOM 157 O PHE A 13 -2.298 11.197 2.188 1.00 0.00 O ATOM 158 CB PHE A 13 -1.816 8.417 0.351 1.00 0.00 C ATOM 159 CG PHE A 13 -3.002 7.837 1.139 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.157 8.094 2.488 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.945 7.059 0.490 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.238 7.585 3.176 1.00 0.00 C ATOM 163 CE2 PHE A 13 -5.027 6.550 1.178 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.175 6.812 2.522 1.00 0.00 C ATOM 0 H PHE A 13 -0.892 9.661 -1.575 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.143 10.120 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.725 7.929 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.881 8.245 0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.427 8.697 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.833 6.849 -0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.352 7.792 4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.759 5.946 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.021 6.414 3.062 1.00 0.00 H new ATOM 174 N LEU A 14 -0.227 10.819 1.502 1.00 0.00 N ATOM 175 CA LEU A 14 0.373 11.555 2.657 1.00 0.00 C ATOM 176 C LEU A 14 -0.211 12.950 2.850 1.00 0.00 C ATOM 177 O LEU A 14 -0.688 13.299 3.914 1.00 0.00 O ATOM 178 CB LEU A 14 1.919 11.725 2.489 1.00 0.00 C ATOM 179 CG LEU A 14 2.803 10.428 2.428 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.476 9.382 3.512 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.828 9.802 1.027 1.00 0.00 C ATOM 0 H LEU A 14 0.446 10.432 0.840 1.00 0.00 H new ATOM 0 HA LEU A 14 0.138 10.941 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.095 12.292 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.279 12.336 3.317 1.00 0.00 H new ATOM 0 HG LEU A 14 3.811 10.775 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.133 8.520 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.625 9.821 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.439 9.064 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.453 8.909 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.814 9.532 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.235 10.520 0.315 1.00 0.00 H new ATOM 193 N PHE A 15 -0.174 13.716 1.795 1.00 0.00 N ATOM 194 CA PHE A 15 -0.713 15.089 1.907 1.00 0.00 C ATOM 195 C PHE A 15 -2.261 15.085 1.948 1.00 0.00 C ATOM 196 O PHE A 15 -2.825 15.875 2.678 1.00 0.00 O ATOM 197 CB PHE A 15 -0.060 15.886 0.714 1.00 0.00 C ATOM 198 CG PHE A 15 -1.022 16.448 -0.310 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.661 15.577 -1.154 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.242 17.812 -0.411 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.511 16.057 -2.099 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.104 18.294 -1.369 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.739 17.412 -2.213 1.00 0.00 C ATOM 0 H PHE A 15 0.198 13.454 0.882 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.456 15.583 2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.522 16.710 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.641 15.226 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.490 14.514 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.739 18.494 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.012 15.372 -2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.281 19.356 -1.458 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.418 17.782 -2.967 1.00 0.00 H new ATOM 213 N CYS A 16 -2.918 14.227 1.196 1.00 0.00 N ATOM 214 CA CYS A 16 -4.424 14.177 1.207 1.00 0.00 C ATOM 215 C CYS A 16 -4.886 13.960 2.653 1.00 0.00 C ATOM 216 O CYS A 16 -5.824 14.594 3.088 1.00 0.00 O ATOM 217 CB CYS A 16 -4.974 13.004 0.368 1.00 0.00 C ATOM 218 SG CYS A 16 -4.787 11.329 1.023 1.00 0.00 S ATOM 0 H CYS A 16 -2.474 13.554 0.571 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.792 15.112 0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.037 13.181 0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.490 13.036 -0.608 1.00 0.00 H new ATOM 223 N SER A 17 -4.226 13.068 3.354 1.00 0.00 N ATOM 224 CA SER A 17 -4.598 12.785 4.769 1.00 0.00 C ATOM 225 C SER A 17 -4.562 14.093 5.570 1.00 0.00 C ATOM 226 O SER A 17 -5.506 14.445 6.247 1.00 0.00 O ATOM 227 CB SER A 17 -3.599 11.772 5.339 1.00 0.00 C ATOM 228 OG SER A 17 -4.043 11.525 6.668 1.00 0.00 O ATOM 0 H SER A 17 -3.440 12.522 3.000 1.00 0.00 H new ATOM 0 HA SER A 17 -5.604 12.370 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.587 10.855 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.584 12.170 5.329 1.00 0.00 H new ATOM 0 HG SER A 17 -3.445 10.878 7.098 1.00 0.00 H new ATOM 234 N GLU A 18 -3.442 14.763 5.442 1.00 0.00 N ATOM 235 CA GLU A 18 -3.219 16.060 6.142 1.00 0.00 C ATOM 236 C GLU A 18 -4.249 17.141 5.735 1.00 0.00 C ATOM 237 O GLU A 18 -4.406 18.136 6.417 1.00 0.00 O ATOM 238 CB GLU A 18 -1.778 16.479 5.810 1.00 0.00 C ATOM 239 CG GLU A 18 -1.475 17.887 6.360 1.00 0.00 C ATOM 240 CD GLU A 18 0.022 18.204 6.182 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.437 18.264 5.034 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.663 18.369 7.206 1.00 0.00 O ATOM 0 H GLU A 18 -2.657 14.455 4.868 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.358 15.946 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.078 15.760 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.631 16.466 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.078 18.629 5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.745 17.942 7.415 1.00 0.00 H new ATOM 249 N TYR A 19 -4.919 16.896 4.640 1.00 0.00 N ATOM 250 CA TYR A 19 -5.944 17.854 4.115 1.00 0.00 C ATOM 251 C TYR A 19 -7.375 17.531 4.518 1.00 0.00 C ATOM 252 O TYR A 19 -8.079 18.400 4.982 1.00 0.00 O ATOM 253 CB TYR A 19 -5.887 17.871 2.593 1.00 0.00 C ATOM 254 CG TYR A 19 -4.921 18.933 2.093 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.583 18.906 2.414 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.405 19.933 1.282 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.744 19.878 1.924 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.571 20.905 0.791 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.226 20.884 1.106 1.00 0.00 C ATOM 260 OH TYR A 19 -2.379 21.853 0.607 1.00 0.00 O ATOM 0 H TYR A 19 -4.798 16.056 4.074 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.693 18.819 4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.577 16.892 2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.882 18.062 2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.194 18.124 3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.455 19.953 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.695 19.856 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.966 21.686 0.158 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.889 22.478 0.051 1.00 0.00 H new ATOM 270 N ARG A 20 -7.746 16.298 4.308 1.00 0.00 N ATOM 271 CA ARG A 20 -9.105 15.773 4.625 1.00 0.00 C ATOM 272 C ARG A 20 -9.851 16.608 5.684 1.00 0.00 C ATOM 273 O ARG A 20 -10.799 17.271 5.328 1.00 0.00 O ATOM 274 CB ARG A 20 -8.899 14.281 5.037 1.00 0.00 C ATOM 275 CG ARG A 20 -10.198 13.642 5.573 1.00 0.00 C ATOM 276 CD ARG A 20 -9.918 12.156 5.857 1.00 0.00 C ATOM 277 NE ARG A 20 -11.177 11.510 6.329 1.00 0.00 N ATOM 278 CZ ARG A 20 -11.192 10.845 7.454 1.00 0.00 C ATOM 279 NH1 ARG A 20 -10.499 9.744 7.540 1.00 0.00 N ATOM 280 NH2 ARG A 20 -11.896 11.303 8.451 1.00 0.00 N ATOM 0 H ARG A 20 -7.125 15.595 3.907 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.762 15.845 3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.545 13.713 4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.124 14.220 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.524 14.148 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.002 13.745 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.555 11.662 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.137 12.057 6.611 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.028 11.587 5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.959 9.417 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.497 9.209 8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.425 12.169 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.918 10.795 9.335 1.00 0.00 H new ATOM 294 N PRO A 21 -9.429 16.601 6.930 1.00 0.00 N ATOM 295 CA PRO A 21 -10.213 17.198 8.047 1.00 0.00 C ATOM 296 C PRO A 21 -10.317 18.734 7.981 1.00 0.00 C ATOM 297 O PRO A 21 -11.162 19.331 8.620 1.00 0.00 O ATOM 298 CB PRO A 21 -9.489 16.702 9.279 1.00 0.00 C ATOM 299 CG PRO A 21 -8.018 16.707 8.808 1.00 0.00 C ATOM 300 CD PRO A 21 -8.139 16.040 7.433 1.00 0.00 C ATOM 0 HA PRO A 21 -11.261 16.898 8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.646 17.357 10.136 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.820 15.706 9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.612 17.716 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.369 16.146 9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.302 16.293 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.168 14.953 7.508 1.00 0.00 H new ATOM 308 N LYS A 22 -9.448 19.313 7.197 1.00 0.00 N ATOM 309 CA LYS A 22 -9.402 20.795 7.024 1.00 0.00 C ATOM 310 C LYS A 22 -10.245 21.245 5.839 1.00 0.00 C ATOM 311 O LYS A 22 -10.770 22.341 5.850 1.00 0.00 O ATOM 312 CB LYS A 22 -7.948 21.255 6.789 1.00 0.00 C ATOM 313 CG LYS A 22 -7.039 20.695 7.893 1.00 0.00 C ATOM 314 CD LYS A 22 -5.777 21.568 8.017 1.00 0.00 C ATOM 315 CE LYS A 22 -4.977 21.112 9.247 1.00 0.00 C ATOM 316 NZ LYS A 22 -3.836 22.041 9.484 1.00 0.00 N ATOM 0 H LYS A 22 -8.749 18.806 6.654 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.802 21.241 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.602 20.914 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.898 22.344 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.574 20.675 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.761 19.667 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.168 21.481 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.053 22.618 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.624 21.087 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.606 20.098 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.299 21.726 10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.212 22.044 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.199 23.002 9.648 1.00 0.00 H new ATOM 330 N ILE A 23 -10.374 20.395 4.849 1.00 0.00 N ATOM 331 CA ILE A 23 -11.186 20.796 3.663 1.00 0.00 C ATOM 332 C ILE A 23 -12.599 20.549 4.141 1.00 0.00 C ATOM 333 O ILE A 23 -13.484 21.349 3.955 1.00 0.00 O ATOM 334 CB ILE A 23 -10.920 19.898 2.431 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.411 19.853 2.104 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.651 20.558 1.231 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.207 18.852 0.955 1.00 0.00 C ATOM 0 H ILE A 23 -9.962 19.463 4.811 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.966 21.815 3.346 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.267 18.884 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.053 20.842 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.839 19.549 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.493 19.959 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.718 20.618 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.256 21.561 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.148 18.799 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.556 17.867 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.773 19.179 0.083 1.00 0.00 H new ATOM 349 N LYS A 24 -12.723 19.413 4.757 1.00 0.00 N ATOM 350 CA LYS A 24 -13.991 18.910 5.336 1.00 0.00 C ATOM 351 C LYS A 24 -14.501 19.888 6.408 1.00 0.00 C ATOM 352 O LYS A 24 -15.691 20.049 6.596 1.00 0.00 O ATOM 353 CB LYS A 24 -13.655 17.550 5.907 1.00 0.00 C ATOM 354 CG LYS A 24 -14.927 16.786 6.347 1.00 0.00 C ATOM 355 CD LYS A 24 -14.535 15.379 6.867 1.00 0.00 C ATOM 356 CE LYS A 24 -13.866 15.463 8.254 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.873 15.830 9.291 1.00 0.00 N ATOM 0 H LYS A 24 -11.940 18.772 4.889 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.792 18.828 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.118 16.964 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.987 17.668 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.445 17.342 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.617 16.696 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.423 14.750 6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.855 14.904 6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.409 14.506 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.066 16.203 8.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.490 15.623 10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.090 16.845 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.742 15.279 9.141 1.00 0.00 H new ATOM 371 N GLY A 25 -13.554 20.509 7.067 1.00 0.00 N ATOM 372 CA GLY A 25 -13.867 21.487 8.148 1.00 0.00 C ATOM 373 C GLY A 25 -14.509 22.767 7.612 1.00 0.00 C ATOM 374 O GLY A 25 -15.432 23.303 8.193 1.00 0.00 O ATOM 0 H GLY A 25 -12.558 20.374 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.538 21.023 8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.951 21.740 8.681 1.00 0.00 H new ATOM 378 N GLU A 26 -13.978 23.201 6.505 1.00 0.00 N ATOM 379 CA GLU A 26 -14.452 24.435 5.815 1.00 0.00 C ATOM 380 C GLU A 26 -15.690 24.178 4.950 1.00 0.00 C ATOM 381 O GLU A 26 -16.659 24.911 4.988 1.00 0.00 O ATOM 382 CB GLU A 26 -13.300 24.940 4.946 1.00 0.00 C ATOM 383 CG GLU A 26 -12.066 25.220 5.834 1.00 0.00 C ATOM 384 CD GLU A 26 -12.307 26.472 6.695 1.00 0.00 C ATOM 385 OE1 GLU A 26 -12.437 27.530 6.099 1.00 0.00 O ATOM 386 OE2 GLU A 26 -12.351 26.303 7.902 1.00 0.00 O ATOM 0 H GLU A 26 -13.205 22.733 6.032 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.745 25.174 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.053 24.199 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.597 25.848 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.867 24.361 6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.184 25.363 5.210 1.00 0.00 H new ATOM 393 N HIS A 27 -15.583 23.119 4.197 1.00 0.00 N ATOM 394 CA HIS A 27 -16.631 22.649 3.258 1.00 0.00 C ATOM 395 C HIS A 27 -17.059 21.224 3.652 1.00 0.00 C ATOM 396 O HIS A 27 -16.650 20.263 3.033 1.00 0.00 O ATOM 397 CB HIS A 27 -16.036 22.677 1.833 1.00 0.00 C ATOM 398 CG HIS A 27 -15.310 24.010 1.632 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.880 25.168 1.588 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.959 24.280 1.465 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.986 26.085 1.418 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.778 25.579 1.332 1.00 0.00 N ATOM 0 H HIS A 27 -14.753 22.526 4.200 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.512 23.289 3.295 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.345 21.845 1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.826 22.561 1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.174 23.538 1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.206 27.140 1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.899 26.078 1.194 1.00 0.00 H new ATOM 410 N PRO A 28 -17.877 21.117 4.677 1.00 0.00 N ATOM 411 CA PRO A 28 -18.588 19.852 5.018 1.00 0.00 C ATOM 412 C PRO A 28 -19.779 19.674 4.045 1.00 0.00 C ATOM 413 O PRO A 28 -20.888 19.368 4.439 1.00 0.00 O ATOM 414 CB PRO A 28 -18.976 20.071 6.477 1.00 0.00 C ATOM 415 CG PRO A 28 -19.332 21.582 6.485 1.00 0.00 C ATOM 416 CD PRO A 28 -18.201 22.210 5.632 1.00 0.00 C ATOM 0 HA PRO A 28 -18.014 18.931 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.821 19.450 6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.157 19.840 7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.315 21.768 6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.348 21.988 7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.533 23.113 5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.340 22.487 6.240 1.00 0.00 H new ATOM 424 N GLY A 29 -19.469 19.882 2.790 1.00 0.00 N ATOM 425 CA GLY A 29 -20.433 19.774 1.666 1.00 0.00 C ATOM 426 C GLY A 29 -19.859 18.850 0.585 1.00 0.00 C ATOM 427 O GLY A 29 -20.598 18.334 -0.231 1.00 0.00 O ATOM 0 H GLY A 29 -18.528 20.137 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.385 19.383 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.632 20.761 1.248 1.00 0.00 H new ATOM 431 N LEU A 30 -18.557 18.660 0.608 1.00 0.00 N ATOM 432 CA LEU A 30 -17.892 17.784 -0.394 1.00 0.00 C ATOM 433 C LEU A 30 -18.071 16.298 -0.030 1.00 0.00 C ATOM 434 O LEU A 30 -18.430 15.945 1.077 1.00 0.00 O ATOM 435 CB LEU A 30 -16.381 18.114 -0.438 1.00 0.00 C ATOM 436 CG LEU A 30 -16.059 19.600 -0.732 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.546 19.748 -1.032 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.892 20.203 -1.889 1.00 0.00 C ATOM 0 H LEU A 30 -17.927 19.083 1.289 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.349 17.964 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.934 17.840 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.908 17.495 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.333 20.163 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.317 20.793 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.970 19.414 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.286 19.141 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.610 21.246 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.701 19.644 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.952 20.145 -1.643 1.00 0.00 H new ATOM 450 N SER A 31 -17.799 15.490 -1.018 1.00 0.00 N ATOM 451 CA SER A 31 -17.888 14.006 -0.934 1.00 0.00 C ATOM 452 C SER A 31 -16.468 13.470 -1.099 1.00 0.00 C ATOM 453 O SER A 31 -15.544 14.226 -1.309 1.00 0.00 O ATOM 454 CB SER A 31 -18.770 13.483 -2.075 1.00 0.00 C ATOM 455 OG SER A 31 -18.934 12.096 -1.809 1.00 0.00 O ATOM 0 H SER A 31 -17.501 15.823 -1.935 1.00 0.00 H new ATOM 0 HA SER A 31 -18.321 13.688 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.731 13.997 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.299 13.646 -3.044 1.00 0.00 H new ATOM 0 HG SER A 31 -19.495 11.693 -2.505 1.00 0.00 H new ATOM 461 N ILE A 32 -16.335 12.175 -1.006 1.00 0.00 N ATOM 462 CA ILE A 32 -15.002 11.507 -1.158 1.00 0.00 C ATOM 463 C ILE A 32 -14.552 11.703 -2.622 1.00 0.00 C ATOM 464 O ILE A 32 -13.426 11.443 -2.986 1.00 0.00 O ATOM 465 CB ILE A 32 -15.229 10.021 -0.783 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.956 9.252 -0.326 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.939 9.248 -1.935 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.816 9.169 -1.360 1.00 0.00 C ATOM 0 H ILE A 32 -17.109 11.535 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.217 11.914 -0.521 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.877 10.061 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.570 9.729 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.246 8.238 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.084 8.209 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.907 9.706 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.323 9.288 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.980 8.612 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.173 8.661 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.487 10.175 -1.620 1.00 0.00 H new ATOM 480 N GLY A 33 -15.473 12.163 -3.424 1.00 0.00 N ATOM 481 CA GLY A 33 -15.181 12.399 -4.865 1.00 0.00 C ATOM 482 C GLY A 33 -14.927 13.879 -5.141 1.00 0.00 C ATOM 483 O GLY A 33 -14.498 14.224 -6.222 1.00 0.00 O ATOM 0 H GLY A 33 -16.426 12.388 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.309 11.816 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.018 12.052 -5.470 1.00 0.00 H new ATOM 487 N ASP A 34 -15.179 14.713 -4.165 1.00 0.00 N ATOM 488 CA ASP A 34 -14.973 16.184 -4.323 1.00 0.00 C ATOM 489 C ASP A 34 -13.711 16.552 -3.576 1.00 0.00 C ATOM 490 O ASP A 34 -12.879 17.275 -4.073 1.00 0.00 O ATOM 491 CB ASP A 34 -16.177 16.915 -3.740 1.00 0.00 C ATOM 492 CG ASP A 34 -17.455 16.607 -4.537 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.435 16.847 -5.732 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.388 16.147 -3.895 1.00 0.00 O ATOM 0 H ASP A 34 -15.525 14.431 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.874 16.464 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.315 16.621 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.991 17.989 -3.746 1.00 0.00 H new ATOM 499 N VAL A 35 -13.606 16.031 -2.391 1.00 0.00 N ATOM 500 CA VAL A 35 -12.429 16.275 -1.522 1.00 0.00 C ATOM 501 C VAL A 35 -11.225 15.654 -2.230 1.00 0.00 C ATOM 502 O VAL A 35 -10.111 16.123 -2.103 1.00 0.00 O ATOM 503 CB VAL A 35 -12.681 15.589 -0.157 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.429 15.659 0.738 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.834 16.278 0.592 1.00 0.00 C ATOM 0 H VAL A 35 -14.313 15.425 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.252 17.336 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.932 14.549 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.635 15.170 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.599 15.155 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.166 16.702 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.995 15.781 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.582 17.324 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.744 16.218 -0.006 1.00 0.00 H new ATOM 515 N ALA A 36 -11.513 14.623 -2.981 1.00 0.00 N ATOM 516 CA ALA A 36 -10.461 13.891 -3.722 1.00 0.00 C ATOM 517 C ALA A 36 -10.221 14.536 -5.059 1.00 0.00 C ATOM 518 O ALA A 36 -9.092 14.631 -5.487 1.00 0.00 O ATOM 519 CB ALA A 36 -10.916 12.466 -3.898 1.00 0.00 C ATOM 0 H ALA A 36 -12.456 14.255 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.523 13.916 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.156 11.906 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.072 12.010 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.850 12.449 -4.459 1.00 0.00 H new ATOM 525 N LYS A 37 -11.283 14.948 -5.692 1.00 0.00 N ATOM 526 CA LYS A 37 -11.128 15.597 -7.012 1.00 0.00 C ATOM 527 C LYS A 37 -10.401 16.949 -6.871 1.00 0.00 C ATOM 528 O LYS A 37 -9.520 17.264 -7.646 1.00 0.00 O ATOM 529 CB LYS A 37 -12.533 15.761 -7.575 1.00 0.00 C ATOM 530 CG LYS A 37 -12.537 16.535 -8.878 1.00 0.00 C ATOM 531 CD LYS A 37 -13.972 16.545 -9.463 1.00 0.00 C ATOM 532 CE LYS A 37 -14.951 17.361 -8.587 1.00 0.00 C ATOM 533 NZ LYS A 37 -14.498 18.776 -8.476 1.00 0.00 N ATOM 0 H LYS A 37 -12.241 14.862 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.517 14.997 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.976 14.778 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.158 16.276 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.194 17.556 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.846 16.079 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.950 16.965 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.334 15.521 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.951 17.326 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.018 16.916 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.276 19.362 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.688 18.831 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.214 19.124 -9.414 1.00 0.00 H new ATOM 547 N LYS A 38 -10.777 17.703 -5.868 1.00 0.00 N ATOM 548 CA LYS A 38 -10.168 19.032 -5.631 1.00 0.00 C ATOM 549 C LYS A 38 -8.715 18.881 -5.224 1.00 0.00 C ATOM 550 O LYS A 38 -7.837 19.372 -5.904 1.00 0.00 O ATOM 551 CB LYS A 38 -10.959 19.743 -4.511 1.00 0.00 C ATOM 552 CG LYS A 38 -10.709 21.270 -4.560 1.00 0.00 C ATOM 553 CD LYS A 38 -11.422 21.898 -5.795 1.00 0.00 C ATOM 554 CE LYS A 38 -12.768 22.547 -5.389 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.656 21.591 -4.665 1.00 0.00 N ATOM 0 H LYS A 38 -11.496 17.441 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.206 19.622 -6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.024 19.539 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.659 19.350 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.076 21.735 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.638 21.468 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.775 22.648 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.597 21.129 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.576 23.413 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.278 22.911 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.594 22.021 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.752 20.717 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.243 21.368 -3.737 1.00 0.00 H new ATOM 569 N LEU A 39 -8.473 18.189 -4.140 1.00 0.00 N ATOM 570 CA LEU A 39 -7.058 18.033 -3.715 1.00 0.00 C ATOM 571 C LEU A 39 -6.319 17.157 -4.761 1.00 0.00 C ATOM 572 O LEU A 39 -5.135 17.323 -4.951 1.00 0.00 O ATOM 573 CB LEU A 39 -7.177 17.502 -2.237 1.00 0.00 C ATOM 574 CG LEU A 39 -6.918 16.036 -2.005 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.420 15.841 -1.892 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.491 15.640 -0.609 1.00 0.00 C ATOM 0 H LEU A 39 -9.173 17.739 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.438 18.929 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.482 18.069 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.181 17.728 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.363 15.452 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.202 14.786 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.940 16.168 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.039 16.428 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.310 14.580 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.001 16.229 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.563 15.834 -0.588 1.00 0.00 H new ATOM 588 N GLY A 40 -7.020 16.265 -5.418 1.00 0.00 N ATOM 589 CA GLY A 40 -6.411 15.368 -6.473 1.00 0.00 C ATOM 590 C GLY A 40 -5.670 16.193 -7.509 1.00 0.00 C ATOM 591 O GLY A 40 -4.648 15.792 -8.035 1.00 0.00 O ATOM 0 H GLY A 40 -8.017 16.111 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.726 14.660 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.193 14.783 -6.957 1.00 0.00 H new ATOM 595 N GLU A 41 -6.228 17.348 -7.754 1.00 0.00 N ATOM 596 CA GLU A 41 -5.645 18.279 -8.743 1.00 0.00 C ATOM 597 C GLU A 41 -4.545 19.064 -8.067 1.00 0.00 C ATOM 598 O GLU A 41 -3.449 19.160 -8.578 1.00 0.00 O ATOM 599 CB GLU A 41 -6.726 19.204 -9.201 1.00 0.00 C ATOM 600 CG GLU A 41 -7.805 18.460 -10.008 1.00 0.00 C ATOM 601 CD GLU A 41 -8.990 19.418 -10.225 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.799 20.356 -10.982 1.00 0.00 O ATOM 603 OE2 GLU A 41 -10.021 19.167 -9.618 1.00 0.00 O ATOM 0 H GLU A 41 -7.077 17.684 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.234 17.742 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.184 19.685 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.293 19.995 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.403 18.130 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.131 17.567 -9.474 1.00 0.00 H new ATOM 610 N MET A 42 -4.891 19.598 -6.925 1.00 0.00 N ATOM 611 CA MET A 42 -3.930 20.411 -6.123 1.00 0.00 C ATOM 612 C MET A 42 -2.578 19.716 -6.095 1.00 0.00 C ATOM 613 O MET A 42 -1.556 20.303 -6.361 1.00 0.00 O ATOM 614 CB MET A 42 -4.526 20.544 -4.762 1.00 0.00 C ATOM 615 CG MET A 42 -5.812 21.422 -4.865 1.00 0.00 C ATOM 616 SD MET A 42 -6.616 21.712 -6.467 1.00 0.00 S ATOM 617 CE MET A 42 -5.837 23.285 -6.915 1.00 0.00 C ATOM 0 H MET A 42 -5.817 19.503 -6.507 1.00 0.00 H new ATOM 0 HA MET A 42 -3.763 21.400 -6.549 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.770 19.561 -4.358 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.810 21.000 -4.078 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.558 20.974 -4.209 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.567 22.399 -4.449 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.519 24.105 -6.692 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.918 23.412 -6.343 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.605 23.286 -7.980 1.00 0.00 H new ATOM 627 N TRP A 43 -2.659 18.462 -5.762 1.00 0.00 N ATOM 628 CA TRP A 43 -1.499 17.552 -5.673 1.00 0.00 C ATOM 629 C TRP A 43 -0.746 17.611 -6.986 1.00 0.00 C ATOM 630 O TRP A 43 0.428 17.924 -7.025 1.00 0.00 O ATOM 631 CB TRP A 43 -2.038 16.182 -5.426 1.00 0.00 C ATOM 632 CG TRP A 43 -0.907 15.171 -5.505 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.811 14.263 -6.495 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.128 15.038 -4.655 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.292 13.622 -6.193 1.00 0.00 N ATOM 636 CE2 TRP A 43 0.937 14.008 -5.103 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.466 15.717 -3.489 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.077 13.660 -4.397 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.604 15.365 -2.777 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.414 14.333 -3.229 1.00 0.00 C ATOM 0 H TRP A 43 -3.544 18.009 -5.534 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.815 17.829 -4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.512 16.137 -4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.806 15.943 -6.162 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.477 14.103 -7.330 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.639 12.858 -6.773 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.161 16.523 -3.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.708 12.861 -4.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.859 15.894 -1.871 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.300 14.055 -2.677 1.00 0.00 H new ATOM 651 N ASN A 44 -1.495 17.300 -8.012 1.00 0.00 N ATOM 652 CA ASN A 44 -0.942 17.290 -9.394 1.00 0.00 C ATOM 653 C ASN A 44 -0.111 18.575 -9.617 1.00 0.00 C ATOM 654 O ASN A 44 0.901 18.535 -10.288 1.00 0.00 O ATOM 655 CB ASN A 44 -2.176 17.117 -10.361 1.00 0.00 C ATOM 656 CG ASN A 44 -2.279 18.151 -11.487 1.00 0.00 C ATOM 657 OD1 ASN A 44 -1.439 18.234 -12.362 1.00 0.00 O ATOM 658 ND2 ASN A 44 -3.309 18.954 -11.490 1.00 0.00 N ATOM 0 H ASN A 44 -2.481 17.049 -7.947 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.249 16.471 -9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.130 16.123 -10.806 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.089 17.159 -9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.409 19.652 -12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.013 18.883 -10.755 1.00 0.00 H new ATOM 665 N ASN A 45 -0.581 19.657 -9.039 1.00 0.00 N ATOM 666 CA ASN A 45 0.108 20.986 -9.145 1.00 0.00 C ATOM 667 C ASN A 45 0.461 21.581 -7.746 1.00 0.00 C ATOM 668 O ASN A 45 0.314 22.770 -7.535 1.00 0.00 O ATOM 669 CB ASN A 45 -0.848 21.918 -9.924 1.00 0.00 C ATOM 670 CG ASN A 45 -2.184 22.067 -9.158 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.275 21.547 -9.647 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -2.249 22.659 -8.099 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.436 19.674 -8.483 1.00 0.00 H new ATOM 0 HA ASN A 45 1.061 20.876 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.386 22.896 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.033 21.513 -10.919 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.410 23.075 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.143 22.740 -7.614 1.00 0.00 H new ATOM 679 N THR A 46 0.933 20.761 -6.829 1.00 0.00 N ATOM 680 CA THR A 46 1.281 21.287 -5.459 1.00 0.00 C ATOM 681 C THR A 46 2.489 22.218 -5.554 1.00 0.00 C ATOM 682 O THR A 46 2.513 23.286 -4.974 1.00 0.00 O ATOM 683 CB THR A 46 1.580 20.072 -4.485 1.00 0.00 C ATOM 684 OG1 THR A 46 1.876 20.691 -3.237 1.00 0.00 O ATOM 685 CG2 THR A 46 2.846 19.233 -4.808 1.00 0.00 C ATOM 0 H THR A 46 1.091 19.763 -6.965 1.00 0.00 H new ATOM 0 HA THR A 46 0.441 21.855 -5.059 1.00 0.00 H new ATOM 0 HB THR A 46 0.726 19.396 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.616 20.217 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.948 18.432 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.753 18.804 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.727 19.874 -4.769 1.00 0.00 H new ATOM 693 N ALA A 47 3.445 21.746 -6.303 1.00 0.00 N ATOM 694 CA ALA A 47 4.723 22.466 -6.554 1.00 0.00 C ATOM 695 C ALA A 47 5.549 21.541 -7.439 1.00 0.00 C ATOM 696 O ALA A 47 6.074 21.950 -8.455 1.00 0.00 O ATOM 697 CB ALA A 47 5.500 22.715 -5.237 1.00 0.00 C ATOM 0 H ALA A 47 3.387 20.843 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 47 4.530 23.437 -7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.428 23.243 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.891 23.317 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.729 21.760 -4.763 1.00 0.00 H new ATOM 703 N ALA A 48 5.600 20.317 -6.964 1.00 0.00 N ATOM 704 CA ALA A 48 6.327 19.148 -7.563 1.00 0.00 C ATOM 705 C ALA A 48 7.549 19.033 -6.648 1.00 0.00 C ATOM 706 O ALA A 48 8.025 17.960 -6.326 1.00 0.00 O ATOM 707 CB ALA A 48 6.819 19.400 -9.016 1.00 0.00 C ATOM 0 H ALA A 48 5.118 20.064 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 48 5.686 18.268 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.335 18.513 -9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.964 19.615 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.503 20.249 -9.026 1.00 0.00 H new ATOM 713 N ASP A 49 7.995 20.203 -6.253 1.00 0.00 N ATOM 714 CA ASP A 49 9.168 20.364 -5.359 1.00 0.00 C ATOM 715 C ASP A 49 8.680 20.284 -3.896 1.00 0.00 C ATOM 716 O ASP A 49 9.450 20.452 -2.969 1.00 0.00 O ATOM 717 CB ASP A 49 9.793 21.734 -5.665 1.00 0.00 C ATOM 718 CG ASP A 49 9.953 21.890 -7.191 1.00 0.00 C ATOM 719 OD1 ASP A 49 10.801 21.198 -7.727 1.00 0.00 O ATOM 720 OD2 ASP A 49 9.206 22.691 -7.733 1.00 0.00 O ATOM 0 H ASP A 49 7.568 21.086 -6.532 1.00 0.00 H new ATOM 0 HA ASP A 49 9.914 19.585 -5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.163 22.531 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.763 21.822 -5.175 1.00 0.00 H new ATOM 725 N ASP A 50 7.401 20.024 -3.760 1.00 0.00 N ATOM 726 CA ASP A 50 6.726 19.896 -2.432 1.00 0.00 C ATOM 727 C ASP A 50 6.198 18.458 -2.322 1.00 0.00 C ATOM 728 O ASP A 50 5.765 18.040 -1.267 1.00 0.00 O ATOM 729 CB ASP A 50 5.556 20.889 -2.339 1.00 0.00 C ATOM 730 CG ASP A 50 4.852 20.740 -0.976 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.480 21.103 0.006 1.00 0.00 O ATOM 732 OD2 ASP A 50 3.728 20.266 -0.994 1.00 0.00 O ATOM 0 H ASP A 50 6.773 19.890 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 50 7.424 20.115 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.922 21.909 -2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.847 20.707 -3.147 1.00 0.00 H new ATOM 737 N LYS A 51 6.248 17.737 -3.418 1.00 0.00 N ATOM 738 CA LYS A 51 5.763 16.331 -3.407 1.00 0.00 C ATOM 739 C LYS A 51 6.937 15.551 -2.873 1.00 0.00 C ATOM 740 O LYS A 51 6.762 14.789 -1.954 1.00 0.00 O ATOM 741 CB LYS A 51 5.471 15.760 -4.795 1.00 0.00 C ATOM 742 CG LYS A 51 4.286 16.433 -5.448 1.00 0.00 C ATOM 743 CD LYS A 51 3.988 15.674 -6.754 1.00 0.00 C ATOM 744 CE LYS A 51 2.727 16.254 -7.378 1.00 0.00 C ATOM 745 NZ LYS A 51 2.411 15.548 -8.648 1.00 0.00 N ATOM 0 H LYS A 51 6.604 18.066 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 51 4.835 16.276 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.350 15.880 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.280 14.690 -4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.420 16.413 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.505 17.481 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.827 15.765 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.855 14.611 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.892 16.160 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.864 17.318 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.866 16.179 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.295 15.273 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.850 14.697 -8.442 1.00 0.00 H new ATOM 759 N GLN A 52 8.080 15.765 -3.478 1.00 0.00 N ATOM 760 CA GLN A 52 9.355 15.089 -3.087 1.00 0.00 C ATOM 761 C GLN A 52 9.379 14.549 -1.631 1.00 0.00 C ATOM 762 O GLN A 52 9.579 13.365 -1.477 1.00 0.00 O ATOM 763 CB GLN A 52 10.521 16.103 -3.324 1.00 0.00 C ATOM 764 CG GLN A 52 11.729 15.386 -3.978 1.00 0.00 C ATOM 765 CD GLN A 52 11.408 14.898 -5.409 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.237 15.127 -5.949 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.239 14.295 -6.058 1.00 0.00 N flip ATOM 0 H GLN A 52 8.183 16.410 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 52 9.463 14.199 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.181 16.916 -3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.823 16.549 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.580 16.066 -4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.023 14.536 -3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.158 14.105 -5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.018 13.979 -7.002 1.00 0.00 H new ATOM 776 N PRO A 53 9.177 15.367 -0.615 1.00 0.00 N ATOM 777 CA PRO A 53 9.066 14.901 0.805 1.00 0.00 C ATOM 778 C PRO A 53 8.108 13.717 1.016 1.00 0.00 C ATOM 779 O PRO A 53 8.451 12.721 1.624 1.00 0.00 O ATOM 780 CB PRO A 53 8.636 16.156 1.577 1.00 0.00 C ATOM 781 CG PRO A 53 8.024 17.057 0.483 1.00 0.00 C ATOM 782 CD PRO A 53 9.000 16.846 -0.679 1.00 0.00 C ATOM 0 HA PRO A 53 10.013 14.491 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.910 15.920 2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.483 16.637 2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.009 16.755 0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.976 18.101 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.587 17.174 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.938 17.383 -0.536 1.00 0.00 H new ATOM 790 N TYR A 54 6.926 13.885 0.485 1.00 0.00 N ATOM 791 CA TYR A 54 5.858 12.840 0.591 1.00 0.00 C ATOM 792 C TYR A 54 6.191 11.670 -0.338 1.00 0.00 C ATOM 793 O TYR A 54 6.201 10.520 0.054 1.00 0.00 O ATOM 794 CB TYR A 54 4.500 13.435 0.175 1.00 0.00 C ATOM 795 CG TYR A 54 4.061 14.571 1.112 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.913 14.355 2.469 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.802 15.833 0.606 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.507 15.376 3.305 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.396 16.854 1.443 1.00 0.00 C ATOM 800 CZ TYR A 54 3.248 16.633 2.798 1.00 0.00 C ATOM 801 OH TYR A 54 2.842 17.650 3.637 1.00 0.00 O ATOM 0 H TYR A 54 6.647 14.720 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 54 5.805 12.492 1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.566 13.811 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.744 12.650 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.117 13.377 2.880 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.918 16.021 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.391 15.190 4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.193 17.833 1.034 1.00 0.00 H new ATOM 0 HH TYR A 54 1.921 17.486 3.928 1.00 0.00 H new ATOM 811 N GLU A 55 6.452 12.018 -1.563 1.00 0.00 N ATOM 812 CA GLU A 55 6.800 11.010 -2.603 1.00 0.00 C ATOM 813 C GLU A 55 7.934 10.058 -2.174 1.00 0.00 C ATOM 814 O GLU A 55 7.757 8.856 -2.136 1.00 0.00 O ATOM 815 CB GLU A 55 7.174 11.796 -3.886 1.00 0.00 C ATOM 816 CG GLU A 55 6.259 11.342 -5.040 1.00 0.00 C ATOM 817 CD GLU A 55 6.641 12.052 -6.353 1.00 0.00 C ATOM 818 OE1 GLU A 55 6.508 13.266 -6.384 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.046 11.338 -7.255 1.00 0.00 O ATOM 0 H GLU A 55 6.439 12.982 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 55 5.944 10.358 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.063 12.867 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.219 11.621 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.337 10.262 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.220 11.559 -4.793 1.00 0.00 H new ATOM 826 N LYS A 56 9.071 10.619 -1.853 1.00 0.00 N ATOM 827 CA LYS A 56 10.251 9.811 -1.422 1.00 0.00 C ATOM 828 C LYS A 56 9.887 8.951 -0.201 1.00 0.00 C ATOM 829 O LYS A 56 10.467 7.904 0.006 1.00 0.00 O ATOM 830 CB LYS A 56 11.423 10.754 -1.057 1.00 0.00 C ATOM 831 CG LYS A 56 12.762 9.974 -1.199 1.00 0.00 C ATOM 832 CD LYS A 56 13.961 10.793 -0.663 1.00 0.00 C ATOM 833 CE LYS A 56 13.955 10.809 0.882 1.00 0.00 C ATOM 834 NZ LYS A 56 15.191 11.471 1.389 1.00 0.00 N ATOM 0 H LYS A 56 9.234 11.626 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 56 10.549 9.158 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.423 11.625 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.307 11.122 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.693 9.031 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.930 9.727 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.895 10.362 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.912 11.813 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.074 11.338 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.895 9.790 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.180 11.478 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.026 10.949 1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.231 12.449 1.037 1.00 0.00 H new ATOM 848 N LYS A 57 8.927 9.403 0.574 1.00 0.00 N ATOM 849 CA LYS A 57 8.536 8.610 1.778 1.00 0.00 C ATOM 850 C LYS A 57 7.793 7.380 1.249 1.00 0.00 C ATOM 851 O LYS A 57 8.162 6.270 1.577 1.00 0.00 O ATOM 852 CB LYS A 57 7.646 9.494 2.679 1.00 0.00 C ATOM 853 CG LYS A 57 7.275 8.717 3.962 1.00 0.00 C ATOM 854 CD LYS A 57 6.510 9.606 4.982 1.00 0.00 C ATOM 855 CE LYS A 57 7.462 10.608 5.683 1.00 0.00 C ATOM 856 NZ LYS A 57 7.845 11.724 4.774 1.00 0.00 N ATOM 0 H LYS A 57 8.409 10.269 0.427 1.00 0.00 H new ATOM 0 HA LYS A 57 9.386 8.291 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.172 10.413 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.742 9.784 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.660 7.856 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.182 8.331 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.718 10.152 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.030 8.974 5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.977 11.011 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.358 10.086 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.743 12.630 5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.834 11.604 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.226 11.719 3.938 1.00 0.00 H new ATOM 870 N ALA A 58 6.769 7.602 0.458 1.00 0.00 N ATOM 871 CA ALA A 58 5.988 6.458 -0.124 1.00 0.00 C ATOM 872 C ALA A 58 6.990 5.407 -0.637 1.00 0.00 C ATOM 873 O ALA A 58 6.905 4.236 -0.319 1.00 0.00 O ATOM 874 CB ALA A 58 5.120 6.980 -1.277 1.00 0.00 C ATOM 0 H ALA A 58 6.438 8.528 0.189 1.00 0.00 H new ATOM 0 HA ALA A 58 5.338 6.007 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.550 6.156 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.434 7.739 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.759 7.416 -2.045 1.00 0.00 H new ATOM 880 N ALA A 59 7.919 5.897 -1.426 1.00 0.00 N ATOM 881 CA ALA A 59 8.988 5.033 -2.018 1.00 0.00 C ATOM 882 C ALA A 59 9.667 4.235 -0.889 1.00 0.00 C ATOM 883 O ALA A 59 9.645 3.027 -0.907 1.00 0.00 O ATOM 884 CB ALA A 59 10.011 5.931 -2.738 1.00 0.00 C ATOM 0 H ALA A 59 7.980 6.881 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 59 8.562 4.334 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.795 5.312 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.511 6.492 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.452 6.626 -2.023 1.00 0.00 H new ATOM 890 N LYS A 60 10.256 4.922 0.060 1.00 0.00 N ATOM 891 CA LYS A 60 10.947 4.274 1.220 1.00 0.00 C ATOM 892 C LYS A 60 10.133 3.084 1.763 1.00 0.00 C ATOM 893 O LYS A 60 10.651 2.002 1.943 1.00 0.00 O ATOM 894 CB LYS A 60 11.154 5.367 2.291 1.00 0.00 C ATOM 895 CG LYS A 60 11.793 4.789 3.565 1.00 0.00 C ATOM 896 CD LYS A 60 11.991 5.938 4.584 1.00 0.00 C ATOM 897 CE LYS A 60 12.177 5.352 5.992 1.00 0.00 C ATOM 898 NZ LYS A 60 10.930 4.638 6.396 1.00 0.00 N ATOM 0 H LYS A 60 10.287 5.941 0.078 1.00 0.00 H new ATOM 0 HA LYS A 60 11.908 3.860 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.789 6.157 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.195 5.823 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.156 4.013 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.750 4.323 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.861 6.535 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.129 6.605 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.023 4.665 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.401 6.147 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.813 4.700 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.112 5.077 5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.995 3.639 6.114 1.00 0.00 H new ATOM 912 N LEU A 61 8.867 3.309 2.012 1.00 0.00 N ATOM 913 CA LEU A 61 8.013 2.192 2.541 1.00 0.00 C ATOM 914 C LEU A 61 8.006 1.052 1.517 1.00 0.00 C ATOM 915 O LEU A 61 8.337 -0.066 1.858 1.00 0.00 O ATOM 916 CB LEU A 61 6.604 2.744 2.784 1.00 0.00 C ATOM 917 CG LEU A 61 6.730 4.031 3.645 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.335 4.500 4.026 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.631 3.818 4.900 1.00 0.00 C ATOM 0 H LEU A 61 8.391 4.201 1.876 1.00 0.00 H new ATOM 0 HA LEU A 61 8.401 1.800 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.114 2.967 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.988 2.004 3.295 1.00 0.00 H new ATOM 0 HG LEU A 61 7.225 4.803 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.408 5.404 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.763 4.713 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.832 3.720 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.688 4.746 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.204 3.034 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.632 3.525 4.584 1.00 0.00 H new ATOM 931 N LYS A 62 7.621 1.362 0.301 1.00 0.00 N ATOM 932 CA LYS A 62 7.585 0.335 -0.799 1.00 0.00 C ATOM 933 C LYS A 62 8.887 -0.483 -0.710 1.00 0.00 C ATOM 934 O LYS A 62 8.867 -1.690 -0.694 1.00 0.00 O ATOM 935 CB LYS A 62 7.465 1.095 -2.145 1.00 0.00 C ATOM 936 CG LYS A 62 7.345 0.123 -3.333 1.00 0.00 C ATOM 937 CD LYS A 62 6.990 0.957 -4.590 1.00 0.00 C ATOM 938 CE LYS A 62 6.934 0.058 -5.838 1.00 0.00 C ATOM 939 NZ LYS A 62 8.290 -0.483 -6.152 1.00 0.00 N ATOM 0 H LYS A 62 7.325 2.296 0.017 1.00 0.00 H new ATOM 0 HA LYS A 62 6.741 -0.349 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.593 1.748 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.338 1.733 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.281 -0.415 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.575 -0.624 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.028 1.450 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.732 1.742 -4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.238 -0.764 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.557 0.628 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.290 -0.885 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.991 0.284 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.535 -1.225 -5.466 1.00 0.00 H new ATOM 953 N GLU A 63 9.976 0.234 -0.649 1.00 0.00 N ATOM 954 CA GLU A 63 11.350 -0.340 -0.552 1.00 0.00 C ATOM 955 C GLU A 63 11.355 -1.420 0.560 1.00 0.00 C ATOM 956 O GLU A 63 11.726 -2.557 0.325 1.00 0.00 O ATOM 957 CB GLU A 63 12.316 0.859 -0.242 1.00 0.00 C ATOM 958 CG GLU A 63 13.774 0.622 -0.698 1.00 0.00 C ATOM 959 CD GLU A 63 14.437 -0.553 0.035 1.00 0.00 C ATOM 960 OE1 GLU A 63 14.495 -0.477 1.254 1.00 0.00 O ATOM 961 OE2 GLU A 63 14.851 -1.458 -0.668 1.00 0.00 O ATOM 0 H GLU A 63 9.966 1.254 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 63 11.677 -0.828 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.934 1.756 -0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.308 1.052 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.789 0.431 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.356 1.527 -0.527 1.00 0.00 H new ATOM 968 N LYS A 64 10.921 -1.039 1.744 1.00 0.00 N ATOM 969 CA LYS A 64 10.904 -2.035 2.874 1.00 0.00 C ATOM 970 C LYS A 64 10.146 -3.304 2.459 1.00 0.00 C ATOM 971 O LYS A 64 10.633 -4.415 2.554 1.00 0.00 O ATOM 972 CB LYS A 64 10.223 -1.419 4.123 1.00 0.00 C ATOM 973 CG LYS A 64 11.048 -0.191 4.606 1.00 0.00 C ATOM 974 CD LYS A 64 10.669 0.207 6.054 1.00 0.00 C ATOM 975 CE LYS A 64 11.697 -0.366 7.065 1.00 0.00 C ATOM 976 NZ LYS A 64 11.773 -1.855 6.998 1.00 0.00 N ATOM 0 H LYS A 64 10.585 -0.104 1.975 1.00 0.00 H new ATOM 0 HA LYS A 64 11.935 -2.295 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.204 -1.115 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.156 -2.162 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.112 -0.423 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.874 0.652 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.632 1.293 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.672 -0.165 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.681 0.057 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.422 -0.062 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.407 -2.204 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.824 -2.257 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.142 -2.142 6.069 1.00 0.00 H new ATOM 990 N TYR A 65 8.949 -3.061 1.993 1.00 0.00 N ATOM 991 CA TYR A 65 8.047 -4.153 1.533 1.00 0.00 C ATOM 992 C TYR A 65 8.810 -5.069 0.590 1.00 0.00 C ATOM 993 O TYR A 65 8.910 -6.250 0.833 1.00 0.00 O ATOM 994 CB TYR A 65 6.817 -3.443 0.882 1.00 0.00 C ATOM 995 CG TYR A 65 6.142 -4.225 -0.269 1.00 0.00 C ATOM 996 CD1 TYR A 65 5.793 -5.553 -0.145 1.00 0.00 C ATOM 997 CD2 TYR A 65 5.865 -3.574 -1.460 1.00 0.00 C ATOM 998 CE1 TYR A 65 5.184 -6.218 -1.185 1.00 0.00 C ATOM 999 CE2 TYR A 65 5.259 -4.237 -2.503 1.00 0.00 C ATOM 1000 CZ TYR A 65 4.912 -5.564 -2.369 1.00 0.00 C ATOM 1001 OH TYR A 65 4.298 -6.232 -3.409 1.00 0.00 O ATOM 0 H TYR A 65 8.551 -2.125 1.911 1.00 0.00 H new ATOM 0 HA TYR A 65 7.693 -4.799 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.074 -3.254 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.136 -2.472 0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.999 -6.076 0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.128 -2.532 -1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.917 -7.259 -1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.055 -3.717 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 65 4.181 -5.621 -4.166 1.00 0.00 H new ATOM 1011 N GLU A 66 9.322 -4.478 -0.450 1.00 0.00 N ATOM 1012 CA GLU A 66 10.110 -5.190 -1.494 1.00 0.00 C ATOM 1013 C GLU A 66 11.102 -6.228 -0.935 1.00 0.00 C ATOM 1014 O GLU A 66 11.319 -7.251 -1.550 1.00 0.00 O ATOM 1015 CB GLU A 66 10.905 -4.190 -2.306 1.00 0.00 C ATOM 1016 CG GLU A 66 9.987 -3.143 -2.998 1.00 0.00 C ATOM 1017 CD GLU A 66 9.639 -3.556 -4.439 1.00 0.00 C ATOM 1018 OE1 GLU A 66 10.572 -3.626 -5.223 1.00 0.00 O ATOM 1019 OE2 GLU A 66 8.463 -3.775 -4.678 1.00 0.00 O ATOM 0 H GLU A 66 9.221 -3.479 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 66 9.376 -5.723 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.615 -3.677 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.488 -4.717 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.070 -3.026 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.484 -2.173 -3.007 1.00 0.00 H new ATOM 1026 N LYS A 67 11.670 -5.939 0.211 1.00 0.00 N ATOM 1027 CA LYS A 67 12.660 -6.910 0.810 1.00 0.00 C ATOM 1028 C LYS A 67 12.029 -8.009 1.651 1.00 0.00 C ATOM 1029 O LYS A 67 12.607 -9.059 1.841 1.00 0.00 O ATOM 1030 CB LYS A 67 13.661 -6.163 1.699 1.00 0.00 C ATOM 1031 CG LYS A 67 14.267 -4.991 0.905 1.00 0.00 C ATOM 1032 CD LYS A 67 13.977 -3.697 1.670 1.00 0.00 C ATOM 1033 CE LYS A 67 14.994 -3.462 2.797 1.00 0.00 C ATOM 1034 NZ LYS A 67 16.362 -3.299 2.226 1.00 0.00 N ATOM 0 H LYS A 67 11.501 -5.092 0.754 1.00 0.00 H new ATOM 0 HA LYS A 67 13.144 -7.383 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.164 -5.792 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.449 -6.840 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.341 -5.129 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.837 -4.946 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.998 -2.854 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.972 -3.740 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.720 -2.573 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.979 -4.302 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.943 -2.729 2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.800 -4.234 2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.299 -2.820 1.305 1.00 0.00 H new ATOM 1048 N ASP A 68 10.853 -7.727 2.120 1.00 0.00 N ATOM 1049 CA ASP A 68 10.088 -8.677 2.963 1.00 0.00 C ATOM 1050 C ASP A 68 9.280 -9.557 2.050 1.00 0.00 C ATOM 1051 O ASP A 68 8.912 -10.656 2.416 1.00 0.00 O ATOM 1052 CB ASP A 68 9.164 -7.907 3.881 1.00 0.00 C ATOM 1053 CG ASP A 68 9.975 -7.155 4.953 1.00 0.00 C ATOM 1054 OD1 ASP A 68 10.743 -6.288 4.565 1.00 0.00 O ATOM 1055 OD2 ASP A 68 9.782 -7.495 6.107 1.00 0.00 O ATOM 0 H ASP A 68 10.373 -6.844 1.947 1.00 0.00 H new ATOM 0 HA ASP A 68 10.763 -9.280 3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.572 -7.199 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.464 -8.591 4.360 1.00 0.00 H new ATOM 1060 N ILE A 69 9.032 -9.037 0.876 1.00 0.00 N ATOM 1061 CA ILE A 69 8.240 -9.840 -0.088 1.00 0.00 C ATOM 1062 C ILE A 69 9.268 -10.719 -0.762 1.00 0.00 C ATOM 1063 O ILE A 69 9.027 -11.875 -1.020 1.00 0.00 O ATOM 1064 CB ILE A 69 7.517 -8.890 -1.094 1.00 0.00 C ATOM 1065 CG1 ILE A 69 6.824 -9.670 -2.203 1.00 0.00 C ATOM 1066 CG2 ILE A 69 8.481 -7.979 -1.798 1.00 0.00 C ATOM 1067 CD1 ILE A 69 6.013 -10.797 -1.614 1.00 0.00 C ATOM 0 H ILE A 69 9.335 -8.118 0.554 1.00 0.00 H new ATOM 0 HA ILE A 69 7.453 -10.436 0.374 1.00 0.00 H new ATOM 0 HB ILE A 69 6.806 -8.327 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.176 -9.006 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.565 -10.068 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.936 -7.335 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.003 -7.364 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.205 -8.575 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.521 -11.349 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.670 -11.468 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.260 -10.390 -0.939 1.00 0.00 H new ATOM 1079 N ALA A 70 10.396 -10.129 -1.017 1.00 0.00 N ATOM 1080 CA ALA A 70 11.511 -10.873 -1.668 1.00 0.00 C ATOM 1081 C ALA A 70 11.922 -11.991 -0.695 1.00 0.00 C ATOM 1082 O ALA A 70 12.317 -13.061 -1.115 1.00 0.00 O ATOM 1083 CB ALA A 70 12.697 -9.935 -1.908 1.00 0.00 C ATOM 0 H ALA A 70 10.599 -9.153 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 70 11.201 -11.279 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.507 -10.487 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.387 -9.115 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.042 -9.534 -0.955 1.00 0.00 H new ATOM 1089 N ALA A 71 11.793 -11.692 0.578 1.00 0.00 N ATOM 1090 CA ALA A 71 12.150 -12.670 1.646 1.00 0.00 C ATOM 1091 C ALA A 71 11.032 -13.703 1.789 1.00 0.00 C ATOM 1092 O ALA A 71 11.283 -14.834 2.152 1.00 0.00 O ATOM 1093 CB ALA A 71 12.339 -11.937 2.978 1.00 0.00 C ATOM 0 H ALA A 71 11.449 -10.796 0.922 1.00 0.00 H new ATOM 0 HA ALA A 71 13.079 -13.173 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.600 -12.656 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.139 -11.203 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.413 -11.430 3.249 1.00 0.00 H new ATOM 1099 N TYR A 72 9.824 -13.285 1.506 1.00 0.00 N ATOM 1100 CA TYR A 72 8.674 -14.233 1.611 1.00 0.00 C ATOM 1101 C TYR A 72 8.611 -15.195 0.412 1.00 0.00 C ATOM 1102 O TYR A 72 8.589 -16.396 0.594 1.00 0.00 O ATOM 1103 CB TYR A 72 7.404 -13.398 1.707 1.00 0.00 C ATOM 1104 CG TYR A 72 6.128 -14.190 1.384 1.00 0.00 C ATOM 1105 CD1 TYR A 72 5.806 -15.360 2.044 1.00 0.00 C ATOM 1106 CD2 TYR A 72 5.278 -13.722 0.404 1.00 0.00 C ATOM 1107 CE1 TYR A 72 4.650 -16.040 1.723 1.00 0.00 C ATOM 1108 CE2 TYR A 72 4.127 -14.397 0.081 1.00 0.00 C ATOM 1109 CZ TYR A 72 3.804 -15.567 0.740 1.00 0.00 C ATOM 1110 OH TYR A 72 2.648 -16.252 0.426 1.00 0.00 O ATOM 0 H TYR A 72 9.586 -12.338 1.210 1.00 0.00 H new ATOM 0 HA TYR A 72 8.792 -14.860 2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.323 -12.987 2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.481 -12.553 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.461 -15.743 2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.522 -12.809 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.404 -16.952 2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.474 -14.013 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 72 2.171 -15.778 -0.287 1.00 0.00 H new ATOM 1120 N ARG A 73 8.598 -14.627 -0.768 1.00 0.00 N ATOM 1121 CA ARG A 73 8.531 -15.408 -2.039 1.00 0.00 C ATOM 1122 C ARG A 73 9.689 -16.384 -2.072 1.00 0.00 C ATOM 1123 O ARG A 73 9.571 -17.469 -2.609 1.00 0.00 O ATOM 1124 CB ARG A 73 8.609 -14.447 -3.241 1.00 0.00 C ATOM 1125 CG ARG A 73 7.382 -13.493 -3.224 1.00 0.00 C ATOM 1126 CD ARG A 73 6.636 -13.562 -4.568 1.00 0.00 C ATOM 1127 NE ARG A 73 7.531 -13.022 -5.637 1.00 0.00 N ATOM 1128 CZ ARG A 73 7.915 -13.789 -6.622 1.00 0.00 C ATOM 1129 NH1 ARG A 73 7.070 -14.060 -7.579 1.00 0.00 N ATOM 1130 NH2 ARG A 73 9.131 -14.256 -6.612 1.00 0.00 N ATOM 0 H ARG A 73 8.632 -13.617 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 73 7.591 -15.957 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.532 -13.869 -3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.630 -15.013 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.709 -13.769 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.710 -12.471 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.356 -14.591 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.713 -12.984 -4.519 1.00 0.00 H new ATOM 0 HE ARG A 73 7.843 -12.052 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.126 -13.674 -7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.354 -14.657 -8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.761 -14.021 -5.845 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.453 -14.857 -7.371 1.00 0.00 H new ATOM 1144 N ALA A 74 10.766 -15.914 -1.490 1.00 0.00 N ATOM 1145 CA ALA A 74 12.047 -16.687 -1.375 1.00 0.00 C ATOM 1146 C ALA A 74 11.767 -18.195 -1.222 1.00 0.00 C ATOM 1147 O ALA A 74 12.437 -19.020 -1.811 1.00 0.00 O ATOM 1148 CB ALA A 74 12.796 -16.171 -0.162 1.00 0.00 C ATOM 0 H ALA A 74 10.811 -14.985 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 74 12.642 -16.552 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.733 -16.717 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.007 -15.109 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.187 -16.316 0.730 1.00 0.00 H new ATOM 1154 N LYS A 75 10.754 -18.425 -0.408 1.00 0.00 N ATOM 1155 CA LYS A 75 10.169 -19.746 0.001 1.00 0.00 C ATOM 1156 C LYS A 75 10.259 -19.788 1.537 1.00 0.00 C ATOM 1157 O LYS A 75 10.875 -20.649 2.134 1.00 0.00 O ATOM 1158 CB LYS A 75 10.963 -20.951 -0.628 1.00 0.00 C ATOM 1159 CG LYS A 75 10.233 -22.289 -0.310 1.00 0.00 C ATOM 1160 CD LYS A 75 10.934 -23.480 -1.008 1.00 0.00 C ATOM 1161 CE LYS A 75 12.368 -23.676 -0.470 1.00 0.00 C ATOM 1162 NZ LYS A 75 12.999 -24.851 -1.133 1.00 0.00 N ATOM 0 H LYS A 75 10.260 -17.650 0.035 1.00 0.00 H new ATOM 0 HA LYS A 75 9.142 -19.840 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.047 -20.819 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.978 -20.977 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.217 -22.452 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.195 -22.229 -0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.355 -24.390 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.967 -23.307 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.961 -22.780 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.344 -23.825 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.964 -24.979 -0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.438 -25.704 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.036 -24.692 -2.160 1.00 0.00 H new ATOM 1176 N GLY A 76 9.613 -18.804 2.124 1.00 0.00 N ATOM 1177 CA GLY A 76 9.568 -18.658 3.606 1.00 0.00 C ATOM 1178 C GLY A 76 8.140 -18.908 4.100 1.00 0.00 C ATOM 1179 O GLY A 76 7.659 -18.267 5.013 1.00 0.00 O ATOM 0 H GLY A 76 9.103 -18.080 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.255 -19.364 4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.894 -17.659 3.894 1.00 0.00 H new ATOM 1183 N LYS A 77 7.520 -19.856 3.445 1.00 0.00 N ATOM 1184 CA LYS A 77 6.123 -20.276 3.758 1.00 0.00 C ATOM 1185 C LYS A 77 5.976 -21.656 4.448 1.00 0.00 C ATOM 1186 O LYS A 77 5.046 -21.794 5.218 1.00 0.00 O ATOM 1187 CB LYS A 77 5.288 -20.284 2.454 1.00 0.00 C ATOM 1188 CG LYS A 77 5.687 -21.446 1.507 1.00 0.00 C ATOM 1189 CD LYS A 77 4.638 -21.674 0.420 1.00 0.00 C ATOM 1190 CE LYS A 77 4.676 -20.579 -0.667 1.00 0.00 C ATOM 1191 NZ LYS A 77 4.185 -19.273 -0.142 1.00 0.00 N ATOM 0 H LYS A 77 7.944 -20.375 2.676 1.00 0.00 H new ATOM 0 HA LYS A 77 5.763 -19.544 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.230 -20.368 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.419 -19.334 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.649 -21.224 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.815 -22.360 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.802 -22.648 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.647 -21.699 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.696 -20.465 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.064 -20.885 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.587 -18.814 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.629 -19.433 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.996 -18.660 0.077 1.00 0.00 H new ATOM 1205 N PRO A 78 6.832 -22.637 4.202 1.00 0.00 N ATOM 1206 CA PRO A 78 6.681 -23.995 4.825 1.00 0.00 C ATOM 1207 C PRO A 78 6.766 -23.939 6.358 1.00 0.00 C ATOM 1208 O PRO A 78 6.448 -24.894 7.039 1.00 0.00 O ATOM 1209 CB PRO A 78 7.809 -24.838 4.177 1.00 0.00 C ATOM 1210 CG PRO A 78 8.105 -24.080 2.858 1.00 0.00 C ATOM 1211 CD PRO A 78 8.032 -22.614 3.309 1.00 0.00 C ATOM 0 HA PRO A 78 5.701 -24.435 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.690 -24.892 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.489 -25.863 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.084 -24.334 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.371 -24.306 2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.932 -22.302 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 78 7.905 -21.932 2.468 1.00 0.00 H new ATOM 1219 N ASP A 79 7.191 -22.780 6.793 1.00 0.00 N ATOM 1220 CA ASP A 79 7.388 -22.369 8.215 1.00 0.00 C ATOM 1221 C ASP A 79 8.476 -21.287 8.222 1.00 0.00 C ATOM 1222 O ASP A 79 9.517 -21.420 7.607 1.00 0.00 O ATOM 1223 CB ASP A 79 7.851 -23.584 9.122 1.00 0.00 C ATOM 1224 CG ASP A 79 9.128 -24.300 8.620 1.00 0.00 C ATOM 1225 OD1 ASP A 79 10.191 -23.724 8.771 1.00 0.00 O ATOM 1226 OD2 ASP A 79 8.968 -25.398 8.110 1.00 0.00 O ATOM 0 H ASP A 79 7.432 -22.030 6.145 1.00 0.00 H new ATOM 0 HA ASP A 79 6.445 -22.004 8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.026 -23.221 10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.040 -24.310 9.179 1.00 0.00 H new ATOM 1231 N ALA A 80 8.173 -20.221 8.916 1.00 0.00 N ATOM 1232 CA ALA A 80 9.114 -19.061 9.034 1.00 0.00 C ATOM 1233 C ALA A 80 8.621 -18.119 10.140 1.00 0.00 C ATOM 1234 O ALA A 80 9.404 -17.680 10.960 1.00 0.00 O ATOM 1235 CB ALA A 80 9.175 -18.319 7.691 1.00 0.00 C ATOM 0 H ALA A 80 7.293 -20.101 9.418 1.00 0.00 H new ATOM 0 HA ALA A 80 10.113 -19.416 9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.859 -17.474 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.529 -18.998 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.181 -17.957 7.430 1.00 0.00 H new ATOM 1241 N ALA A 81 7.333 -17.864 10.083 1.00 0.00 N ATOM 1242 CA ALA A 81 6.569 -16.974 11.029 1.00 0.00 C ATOM 1243 C ALA A 81 7.387 -16.282 12.147 1.00 0.00 C ATOM 1244 O ALA A 81 7.522 -15.077 12.036 1.00 0.00 O ATOM 1245 CB ALA A 81 5.446 -17.822 11.667 1.00 0.00 C ATOM 1246 OXT ALA A 81 7.835 -16.985 13.043 1.00 0.00 O ATOM 0 H ALA A 81 6.736 -18.269 9.362 1.00 0.00 H new ATOM 0 HA ALA A 81 6.200 -16.146 10.423 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.873 -17.205 12.359 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.786 -18.199 10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.885 -18.661 12.207 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -8.889 9.652 1.619 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.589 10.455 1.762 1.00 0.00 C HETATM 1255 O1 BME A 82 -9.636 9.989 2.779 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.419 10.325 0.389 1.00 0.00 S HETATM 0 HO1 BME A 82 -10.493 9.514 2.766 1.00 0.00 H new HETATM 0 H22 BME A 82 -7.847 11.506 1.894 1.00 0.00 H new HETATM 0 H21 BME A 82 -7.085 10.133 2.674 1.00 0.00 H new HETATM 0 H12 BME A 82 -9.425 9.920 0.708 1.00 0.00 H new HETATM 0 H11 BME A 82 -8.692 8.581 1.569 1.00 0.00 H new