USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 583 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 66 HIS : no HE2:sc= -3.37 K(o=-3.4,f=-7!) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.0195 X(o=-3.4,f=-3.4) USER MOD Set 2.1: A 29 MET CE :methyl 146:sc= -0.114 (180deg=-0.111) USER MOD Set 2.2: A 32 THR OG1 : rot 140:sc=-0.00346 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1 K(o=-1,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.8) USER MOD Single : A 34 SER OG : rot 160:sc= -2.69 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc=-0.00213 (180deg=-0.217) USER MOD Single : A 43 SER OG : rot -29:sc= 0.268 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 55 SER OG : rot 180:sc= -1.19 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 62 GLN : amide:sc= -0.461 K(o=-0.46,f=-3.2!) USER MOD Single : A 64 MET CE :methyl 180:sc= -0.478 (180deg=-0.478) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -3.77! C(o=-4.4!,f=-3.8!) USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= -0.269 (180deg=-0.708) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -24:sc= 0.383 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -173:sc= -1.35 (180deg=-1.57) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.035 -4.432 13.871 1.00 0.00 N ATOM 60 CA GLY A 7 -3.895 -5.249 13.494 1.00 0.00 C ATOM 61 C GLY A 7 -2.817 -4.405 12.811 1.00 0.00 C ATOM 62 O GLY A 7 -2.979 -3.996 11.662 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.479 -5.730 14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.219 -6.044 12.822 1.00 0.00 H new ATOM 66 N SER A 8 -1.740 -4.170 13.546 1.00 0.00 N ATOM 67 CA SER A 8 -0.635 -3.382 13.026 1.00 0.00 C ATOM 68 C SER A 8 0.542 -4.296 12.679 1.00 0.00 C ATOM 69 O SER A 8 0.649 -5.403 13.206 1.00 0.00 O ATOM 70 CB SER A 8 -0.200 -2.314 14.030 1.00 0.00 C ATOM 71 OG SER A 8 0.122 -2.874 15.300 1.00 0.00 O ATOM 0 H SER A 8 -1.609 -4.512 14.498 1.00 0.00 H new ATOM 0 HA SER A 8 -0.972 -2.876 12.122 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.666 -1.780 13.639 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.998 -1.582 14.149 1.00 0.00 H new ATOM 0 HG SER A 8 0.397 -2.160 15.912 1.00 0.00 H new ATOM 77 N VAL A 9 1.395 -3.800 11.796 1.00 0.00 N ATOM 78 CA VAL A 9 2.560 -4.558 11.373 1.00 0.00 C ATOM 79 C VAL A 9 3.732 -3.600 11.149 1.00 0.00 C ATOM 80 O VAL A 9 3.538 -2.390 11.042 1.00 0.00 O ATOM 81 CB VAL A 9 2.222 -5.389 10.134 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.415 -4.568 9.126 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.490 -5.955 9.490 1.00 0.00 C ATOM 0 H VAL A 9 1.303 -2.882 11.361 1.00 0.00 H new ATOM 0 HA VAL A 9 2.860 -5.263 12.149 1.00 0.00 H new ATOM 0 HB VAL A 9 1.605 -6.229 10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.188 -5.183 8.255 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.485 -4.236 9.588 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.996 -3.699 8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.221 -6.542 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.144 -5.135 9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.009 -6.592 10.207 1.00 0.00 H new ATOM 93 N SER A 10 4.923 -4.178 11.085 1.00 0.00 N ATOM 94 CA SER A 10 6.126 -3.391 10.875 1.00 0.00 C ATOM 95 C SER A 10 7.041 -4.091 9.868 1.00 0.00 C ATOM 96 O SER A 10 7.385 -5.259 10.044 1.00 0.00 O ATOM 97 CB SER A 10 6.868 -3.158 12.193 1.00 0.00 C ATOM 98 OG SER A 10 8.105 -2.478 11.996 1.00 0.00 O ATOM 0 H SER A 10 5.080 -5.182 11.175 1.00 0.00 H new ATOM 0 HA SER A 10 5.834 -2.420 10.476 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.238 -2.577 12.866 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.054 -4.116 12.679 1.00 0.00 H new ATOM 0 HG SER A 10 8.547 -2.347 12.861 1.00 0.00 H new ATOM 104 N LEU A 11 7.407 -3.348 8.834 1.00 0.00 N ATOM 105 CA LEU A 11 8.275 -3.883 7.798 1.00 0.00 C ATOM 106 C LEU A 11 9.636 -3.187 7.870 1.00 0.00 C ATOM 107 O LEU A 11 9.735 -2.058 8.346 1.00 0.00 O ATOM 108 CB LEU A 11 7.602 -3.777 6.428 1.00 0.00 C ATOM 109 CG LEU A 11 6.110 -4.113 6.386 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.535 -3.882 4.987 1.00 0.00 C ATOM 111 CD2 LEU A 11 5.855 -5.538 6.882 1.00 0.00 C ATOM 0 H LEU A 11 7.119 -2.380 8.691 1.00 0.00 H new ATOM 0 HA LEU A 11 8.451 -4.946 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.736 -2.761 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.123 -4.440 5.737 1.00 0.00 H new ATOM 0 HG LEU A 11 5.589 -3.437 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.473 -4.128 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.666 -2.836 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.056 -4.516 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.787 -5.751 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.390 -6.245 6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.206 -5.634 7.910 1.00 0.00 H new ATOM 123 N VAL A 12 10.650 -3.892 7.390 1.00 0.00 N ATOM 124 CA VAL A 12 12.001 -3.357 7.394 1.00 0.00 C ATOM 125 C VAL A 12 12.506 -3.248 5.954 1.00 0.00 C ATOM 126 O VAL A 12 12.805 -4.259 5.319 1.00 0.00 O ATOM 127 CB VAL A 12 12.903 -4.218 8.281 1.00 0.00 C ATOM 128 CG1 VAL A 12 14.362 -3.771 8.177 1.00 0.00 C ATOM 129 CG2 VAL A 12 12.424 -4.198 9.734 1.00 0.00 C ATOM 0 H VAL A 12 10.563 -4.829 6.996 1.00 0.00 H new ATOM 0 HA VAL A 12 12.013 -2.353 7.819 1.00 0.00 H new ATOM 0 HB VAL A 12 12.842 -5.246 7.923 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.982 -4.399 8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.698 -3.863 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.448 -2.732 8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.082 -4.818 10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.440 -3.174 10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.407 -4.588 9.787 1.00 0.00 H new ATOM 139 N GLY A 13 12.586 -2.014 5.480 1.00 0.00 N ATOM 140 CA GLY A 13 13.050 -1.760 4.127 1.00 0.00 C ATOM 141 C GLY A 13 13.162 -0.258 3.858 1.00 0.00 C ATOM 142 O GLY A 13 12.481 0.543 4.496 1.00 0.00 O ATOM 0 H GLY A 13 12.337 -1.178 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.020 -2.233 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.362 -2.211 3.412 1.00 0.00 H new ATOM 146 N PRO A 14 14.050 0.088 2.887 1.00 0.00 N ATOM 147 CA PRO A 14 14.260 1.479 2.526 1.00 0.00 C ATOM 148 C PRO A 14 13.091 2.013 1.696 1.00 0.00 C ATOM 149 O PRO A 14 13.032 3.204 1.395 1.00 0.00 O ATOM 150 CB PRO A 14 15.580 1.495 1.773 1.00 0.00 C ATOM 151 CG PRO A 14 15.828 0.060 1.337 1.00 0.00 C ATOM 152 CD PRO A 14 14.874 -0.834 2.111 1.00 0.00 C ATOM 0 HA PRO A 14 14.304 2.137 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.531 2.162 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.388 1.855 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.665 -0.047 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.862 -0.225 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.266 -1.439 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.415 -1.523 2.759 1.00 0.00 H new ATOM 160 N ALA A 15 12.191 1.105 1.349 1.00 0.00 N ATOM 161 CA ALA A 15 11.027 1.470 0.559 1.00 0.00 C ATOM 162 C ALA A 15 10.423 0.209 -0.063 1.00 0.00 C ATOM 163 O ALA A 15 9.219 -0.022 0.038 1.00 0.00 O ATOM 164 CB ALA A 15 11.428 2.505 -0.494 1.00 0.00 C ATOM 0 H ALA A 15 12.244 0.118 1.600 1.00 0.00 H new ATOM 0 HA ALA A 15 10.263 1.926 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.555 2.779 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.824 3.392 0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.192 2.083 -1.147 1.00 0.00 H new ATOM 170 N PRO A 16 11.310 -0.594 -0.710 1.00 0.00 N ATOM 171 CA PRO A 16 10.877 -1.825 -1.349 1.00 0.00 C ATOM 172 C PRO A 16 10.597 -2.913 -0.310 1.00 0.00 C ATOM 173 O PRO A 16 11.398 -3.829 -0.134 1.00 0.00 O ATOM 174 CB PRO A 16 12.002 -2.190 -2.303 1.00 0.00 C ATOM 175 CG PRO A 16 13.219 -1.413 -1.829 1.00 0.00 C ATOM 176 CD PRO A 16 12.743 -0.352 -0.850 1.00 0.00 C ATOM 0 HA PRO A 16 9.937 -1.711 -1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.194 -3.263 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.745 -1.926 -3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.935 -2.081 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.730 -0.951 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.255 -0.439 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.940 0.652 -1.227 1.00 0.00 H new ATOM 184 N TRP A 17 9.457 -2.775 0.351 1.00 0.00 N ATOM 185 CA TRP A 17 9.061 -3.735 1.368 1.00 0.00 C ATOM 186 C TRP A 17 8.715 -5.050 0.668 1.00 0.00 C ATOM 187 O TRP A 17 8.791 -6.119 1.273 1.00 0.00 O ATOM 188 CB TRP A 17 7.912 -3.190 2.219 1.00 0.00 C ATOM 189 CG TRP A 17 7.968 -1.678 2.445 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.418 -0.711 1.697 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.635 -0.994 3.526 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.681 0.541 2.215 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.445 0.363 3.363 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.375 -1.506 4.607 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.963 1.321 4.243 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.886 -0.535 5.477 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.704 0.834 5.327 1.00 0.00 C ATOM 0 H TRP A 17 8.795 -2.013 0.202 1.00 0.00 H new ATOM 0 HA TRP A 17 9.879 -3.917 2.066 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.967 -3.440 1.738 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.920 -3.692 3.186 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.841 -0.889 0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.372 1.432 1.827 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.536 -2.564 4.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.800 2.378 4.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.463 -0.875 6.325 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.132 1.520 6.043 1.00 0.00 H new ATOM 208 N GLY A 18 8.341 -4.930 -0.598 1.00 0.00 N ATOM 209 CA GLY A 18 7.983 -6.096 -1.387 1.00 0.00 C ATOM 210 C GLY A 18 6.467 -6.188 -1.572 1.00 0.00 C ATOM 211 O GLY A 18 5.918 -7.282 -1.693 1.00 0.00 O ATOM 0 H GLY A 18 8.278 -4.042 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.469 -6.044 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.349 -6.998 -0.896 1.00 0.00 H new ATOM 215 N PHE A 19 5.833 -5.025 -1.587 1.00 0.00 N ATOM 216 CA PHE A 19 4.391 -4.961 -1.755 1.00 0.00 C ATOM 217 C PHE A 19 3.980 -3.677 -2.480 1.00 0.00 C ATOM 218 O PHE A 19 4.705 -2.684 -2.450 1.00 0.00 O ATOM 219 CB PHE A 19 3.777 -4.960 -0.354 1.00 0.00 C ATOM 220 CG PHE A 19 3.845 -3.606 0.355 1.00 0.00 C ATOM 221 CD1 PHE A 19 3.114 -2.557 -0.110 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.638 -3.450 1.449 1.00 0.00 C ATOM 223 CE1 PHE A 19 3.177 -1.301 0.548 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.701 -2.193 2.107 1.00 0.00 C ATOM 225 CZ PHE A 19 3.970 -1.145 1.642 1.00 0.00 C ATOM 0 H PHE A 19 6.291 -4.119 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 19 4.048 -5.808 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.734 -5.269 -0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.289 -5.704 0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.486 -2.680 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.220 -4.282 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.595 -0.469 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.329 -2.070 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.019 -0.189 2.141 1.00 0.00 H new ATOM 235 N ARG A 20 2.819 -3.740 -3.115 1.00 0.00 N ATOM 236 CA ARG A 20 2.303 -2.595 -3.846 1.00 0.00 C ATOM 237 C ARG A 20 0.952 -2.163 -3.271 1.00 0.00 C ATOM 238 O ARG A 20 0.318 -2.916 -2.533 1.00 0.00 O ATOM 239 CB ARG A 20 2.137 -2.919 -5.332 1.00 0.00 C ATOM 240 CG ARG A 20 3.481 -2.852 -6.061 1.00 0.00 C ATOM 241 CD ARG A 20 3.527 -1.657 -7.016 1.00 0.00 C ATOM 242 NE ARG A 20 3.705 -0.403 -6.250 1.00 0.00 N ATOM 243 CZ ARG A 20 4.196 0.730 -6.768 1.00 0.00 C ATOM 244 NH1 ARG A 20 4.561 0.775 -8.057 1.00 0.00 N ATOM 245 NH2 ARG A 20 4.322 1.820 -5.998 1.00 0.00 N ATOM 0 H ARG A 20 2.221 -4.566 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 20 3.023 -1.783 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.707 -3.914 -5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.438 -2.216 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.290 -2.773 -5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.643 -3.774 -6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.346 -1.779 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.606 -1.610 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 20 3.437 -0.402 -5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.465 -0.054 -8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.935 1.638 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.044 1.786 -5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.696 2.683 -6.393 1.00 0.00 H new ATOM 259 N LEU A 21 0.552 -0.953 -3.632 1.00 0.00 N ATOM 260 CA LEU A 21 -0.712 -0.412 -3.161 1.00 0.00 C ATOM 261 C LEU A 21 -1.521 0.096 -4.357 1.00 0.00 C ATOM 262 O LEU A 21 -0.952 0.480 -5.378 1.00 0.00 O ATOM 263 CB LEU A 21 -0.474 0.649 -2.085 1.00 0.00 C ATOM 264 CG LEU A 21 0.102 0.143 -0.761 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.601 1.306 0.100 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.914 -0.726 -0.017 1.00 0.00 C ATOM 0 H LEU A 21 1.080 -0.332 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.305 -1.191 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.203 1.402 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.421 1.148 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 21 0.964 -0.487 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.005 0.919 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.381 1.847 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.227 1.981 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.479 -1.072 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.809 -0.140 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.179 -1.585 -0.634 1.00 0.00 H new ATOM 278 N GLN A 22 -2.836 0.082 -4.190 1.00 0.00 N ATOM 279 CA GLN A 22 -3.728 0.536 -5.243 1.00 0.00 C ATOM 280 C GLN A 22 -5.068 0.976 -4.649 1.00 0.00 C ATOM 281 O GLN A 22 -5.511 0.433 -3.638 1.00 0.00 O ATOM 282 CB GLN A 22 -3.927 -0.551 -6.300 1.00 0.00 C ATOM 283 CG GLN A 22 -4.545 -1.808 -5.684 1.00 0.00 C ATOM 284 CD GLN A 22 -4.871 -2.844 -6.762 1.00 0.00 C ATOM 285 OE1 GLN A 22 -4.291 -2.864 -7.835 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.829 -3.700 -6.418 1.00 0.00 N ATOM 0 H GLN A 22 -3.304 -0.236 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.271 1.395 -5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.572 -0.177 -7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.969 -0.799 -6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.855 -2.238 -4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.453 -1.543 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.274 -3.627 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.119 -4.429 -7.069 1.00 0.00 H new ATOM 295 N GLY A 23 -5.676 1.955 -5.303 1.00 0.00 N ATOM 296 CA GLY A 23 -6.956 2.473 -4.853 1.00 0.00 C ATOM 297 C GLY A 23 -6.785 3.820 -4.146 1.00 0.00 C ATOM 298 O GLY A 23 -5.786 4.509 -4.349 1.00 0.00 O ATOM 0 H GLY A 23 -5.305 2.403 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.626 2.588 -5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.423 1.759 -4.175 1.00 0.00 H new ATOM 302 N GLY A 24 -7.774 4.154 -3.331 1.00 0.00 N ATOM 303 CA GLY A 24 -7.745 5.405 -2.593 1.00 0.00 C ATOM 304 C GLY A 24 -8.962 6.269 -2.930 1.00 0.00 C ATOM 305 O GLY A 24 -9.866 5.826 -3.637 1.00 0.00 O ATOM 0 H GLY A 24 -8.601 3.580 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.726 5.200 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.831 5.950 -2.830 1.00 0.00 H new ATOM 309 N LYS A 25 -8.946 7.486 -2.407 1.00 0.00 N ATOM 310 CA LYS A 25 -10.038 8.416 -2.644 1.00 0.00 C ATOM 311 C LYS A 25 -10.054 8.811 -4.122 1.00 0.00 C ATOM 312 O LYS A 25 -11.075 8.670 -4.795 1.00 0.00 O ATOM 313 CB LYS A 25 -9.942 9.609 -1.690 1.00 0.00 C ATOM 314 CG LYS A 25 -11.249 9.799 -0.918 1.00 0.00 C ATOM 315 CD LYS A 25 -10.990 10.432 0.451 1.00 0.00 C ATOM 316 CE LYS A 25 -10.398 11.835 0.302 1.00 0.00 C ATOM 317 NZ LYS A 25 -11.028 12.768 1.263 1.00 0.00 N ATOM 0 H LYS A 25 -8.195 7.850 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.996 7.942 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.121 9.454 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.714 10.513 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.926 10.431 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.743 8.836 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.922 10.484 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.307 9.804 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.322 11.802 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.550 12.194 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.615 13.716 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.051 12.813 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.861 12.432 2.233 1.00 0.00 H new ATOM 331 N ASP A 26 -8.912 9.298 -4.584 1.00 0.00 N ATOM 332 CA ASP A 26 -8.783 9.715 -5.970 1.00 0.00 C ATOM 333 C ASP A 26 -9.117 8.535 -6.886 1.00 0.00 C ATOM 334 O ASP A 26 -9.411 8.724 -8.065 1.00 0.00 O ATOM 335 CB ASP A 26 -7.353 10.162 -6.280 1.00 0.00 C ATOM 336 CG ASP A 26 -6.972 10.132 -7.761 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.717 10.750 -8.551 1.00 0.00 O ATOM 338 OD2 ASP A 26 -5.944 9.491 -8.070 1.00 0.00 O ATOM 0 H ASP A 26 -8.068 9.413 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.466 10.548 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.217 11.177 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.662 9.524 -5.730 1.00 0.00 H new ATOM 343 N PHE A 27 -9.061 7.344 -6.308 1.00 0.00 N ATOM 344 CA PHE A 27 -9.354 6.134 -7.057 1.00 0.00 C ATOM 345 C PHE A 27 -10.804 5.694 -6.842 1.00 0.00 C ATOM 346 O PHE A 27 -11.322 4.865 -7.589 1.00 0.00 O ATOM 347 CB PHE A 27 -8.419 5.044 -6.531 1.00 0.00 C ATOM 348 CG PHE A 27 -6.974 5.176 -7.018 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.290 6.333 -6.813 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.375 4.135 -7.657 1.00 0.00 C ATOM 351 CE1 PHE A 27 -4.949 6.454 -7.265 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.034 4.257 -8.109 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.350 5.414 -7.904 1.00 0.00 C ATOM 0 H PHE A 27 -8.817 7.191 -5.329 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.211 6.312 -8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.428 5.067 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.806 4.071 -6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.766 7.160 -6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.919 3.216 -7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.405 7.372 -7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.558 3.431 -8.616 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.331 5.507 -8.249 1.00 0.00 H new ATOM 363 N ASN A 28 -11.417 6.267 -5.817 1.00 0.00 N ATOM 364 CA ASN A 28 -12.796 5.944 -5.493 1.00 0.00 C ATOM 365 C ASN A 28 -12.859 4.538 -4.895 1.00 0.00 C ATOM 366 O ASN A 28 -13.809 3.796 -5.141 1.00 0.00 O ATOM 367 CB ASN A 28 -13.674 5.965 -6.746 1.00 0.00 C ATOM 368 CG ASN A 28 -15.156 6.053 -6.374 1.00 0.00 C ATOM 369 OD1 ASN A 28 -15.529 6.116 -5.215 1.00 0.00 O ATOM 370 ND2 ASN A 28 -15.977 6.056 -7.421 1.00 0.00 N ATOM 0 H ASN A 28 -10.984 6.954 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.160 6.688 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.401 6.815 -7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.496 5.065 -7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.985 6.114 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -15.598 6.001 -8.366 1.00 0.00 H new ATOM 377 N MET A 29 -11.834 4.212 -4.120 1.00 0.00 N ATOM 378 CA MET A 29 -11.761 2.908 -3.485 1.00 0.00 C ATOM 379 C MET A 29 -10.784 2.926 -2.307 1.00 0.00 C ATOM 380 O MET A 29 -9.987 3.853 -2.171 1.00 0.00 O ATOM 381 CB MET A 29 -11.308 1.865 -4.509 1.00 0.00 C ATOM 382 CG MET A 29 -9.782 1.761 -4.547 1.00 0.00 C ATOM 383 SD MET A 29 -9.280 0.601 -5.807 1.00 0.00 S ATOM 384 CE MET A 29 -8.727 -0.751 -4.782 1.00 0.00 C ATOM 0 H MET A 29 -11.047 4.829 -3.918 1.00 0.00 H new ATOM 0 HA MET A 29 -12.751 2.653 -3.108 1.00 0.00 H new ATOM 0 HB2 MET A 29 -11.736 0.894 -4.259 1.00 0.00 H new ATOM 0 HB3 MET A 29 -11.683 2.133 -5.497 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.348 2.740 -4.749 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.407 1.440 -3.575 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.948 -1.697 -5.277 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.652 -0.668 -4.619 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.243 -0.715 -3.823 1.00 0.00 H new ATOM 394 N PRO A 30 -10.879 1.862 -1.466 1.00 0.00 N ATOM 395 CA PRO A 30 -10.013 1.746 -0.304 1.00 0.00 C ATOM 396 C PRO A 30 -8.596 1.339 -0.715 1.00 0.00 C ATOM 397 O PRO A 30 -8.402 0.733 -1.768 1.00 0.00 O ATOM 398 CB PRO A 30 -10.690 0.722 0.591 1.00 0.00 C ATOM 399 CG PRO A 30 -11.657 -0.038 -0.302 1.00 0.00 C ATOM 400 CD PRO A 30 -11.810 0.745 -1.596 1.00 0.00 C ATOM 0 HA PRO A 30 -9.886 2.692 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.958 0.048 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.217 1.208 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.281 -1.041 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.622 -0.153 0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.570 0.129 -2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.834 1.096 -1.728 1.00 0.00 H new ATOM 408 N LEU A 31 -7.644 1.687 0.138 1.00 0.00 N ATOM 409 CA LEU A 31 -6.251 1.365 -0.123 1.00 0.00 C ATOM 410 C LEU A 31 -6.019 -0.124 0.141 1.00 0.00 C ATOM 411 O LEU A 31 -6.062 -0.569 1.287 1.00 0.00 O ATOM 412 CB LEU A 31 -5.329 2.284 0.680 1.00 0.00 C ATOM 413 CG LEU A 31 -5.252 3.737 0.207 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.136 4.695 1.395 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.112 3.927 -0.795 1.00 0.00 C ATOM 0 H LEU A 31 -7.810 2.189 1.010 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.007 1.545 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.658 2.278 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.324 1.863 0.662 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.180 3.977 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.083 5.721 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.008 4.583 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.234 4.464 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.079 4.968 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.165 3.662 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.278 3.286 -1.661 1.00 0.00 H new ATOM 427 N THR A 32 -5.776 -0.853 -0.939 1.00 0.00 N ATOM 428 CA THR A 32 -5.536 -2.283 -0.838 1.00 0.00 C ATOM 429 C THR A 32 -4.138 -2.627 -1.356 1.00 0.00 C ATOM 430 O THR A 32 -3.488 -1.800 -1.994 1.00 0.00 O ATOM 431 CB THR A 32 -6.657 -3.004 -1.589 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.041 -2.084 -2.607 1.00 0.00 O ATOM 433 CG2 THR A 32 -7.919 -3.169 -0.740 1.00 0.00 C ATOM 0 H THR A 32 -5.740 -0.480 -1.888 1.00 0.00 H new ATOM 0 HA THR A 32 -5.554 -2.615 0.200 1.00 0.00 H new ATOM 0 HB THR A 32 -6.306 -3.984 -1.911 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.214 -2.571 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.683 -3.686 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.684 -3.751 0.151 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.290 -2.187 -0.445 1.00 0.00 H new ATOM 441 N ILE A 33 -3.717 -3.848 -1.061 1.00 0.00 N ATOM 442 CA ILE A 33 -2.408 -4.311 -1.488 1.00 0.00 C ATOM 443 C ILE A 33 -2.467 -4.697 -2.968 1.00 0.00 C ATOM 444 O ILE A 33 -3.011 -5.742 -3.319 1.00 0.00 O ATOM 445 CB ILE A 33 -1.915 -5.438 -0.578 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.785 -4.957 0.868 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.607 -6.034 -1.103 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.615 -3.984 1.020 1.00 0.00 C ATOM 0 H ILE A 33 -4.259 -4.531 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.672 -3.512 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.659 -6.235 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.710 -4.470 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.639 -5.812 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.278 -6.833 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.766 -6.437 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.157 -5.257 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.546 -3.658 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.312 -4.481 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.776 -3.118 0.378 1.00 0.00 H new ATOM 460 N SER A 34 -1.898 -3.832 -3.795 1.00 0.00 N ATOM 461 CA SER A 34 -1.879 -4.069 -5.228 1.00 0.00 C ATOM 462 C SER A 34 -1.405 -5.495 -5.517 1.00 0.00 C ATOM 463 O SER A 34 -2.143 -6.293 -6.092 1.00 0.00 O ATOM 464 CB SER A 34 -0.981 -3.056 -5.942 1.00 0.00 C ATOM 465 OG SER A 34 -0.019 -3.693 -6.779 1.00 0.00 O ATOM 0 H SER A 34 -1.447 -2.966 -3.500 1.00 0.00 H new ATOM 0 HA SER A 34 -2.893 -3.946 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.596 -2.385 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.468 -2.442 -5.202 1.00 0.00 H new ATOM 0 HG SER A 34 0.310 -3.053 -7.445 1.00 0.00 H new ATOM 471 N SER A 35 -0.177 -5.771 -5.104 1.00 0.00 N ATOM 472 CA SER A 35 0.404 -7.086 -5.311 1.00 0.00 C ATOM 473 C SER A 35 1.485 -7.352 -4.261 1.00 0.00 C ATOM 474 O SER A 35 1.801 -6.478 -3.456 1.00 0.00 O ATOM 475 CB SER A 35 0.989 -7.215 -6.719 1.00 0.00 C ATOM 476 OG SER A 35 0.226 -8.098 -7.536 1.00 0.00 O ATOM 0 H SER A 35 0.432 -5.106 -4.627 1.00 0.00 H new ATOM 0 HA SER A 35 -0.387 -7.829 -5.206 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.028 -6.231 -7.187 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.015 -7.578 -6.653 1.00 0.00 H new ATOM 0 HG SER A 35 0.631 -8.152 -8.427 1.00 0.00 H new ATOM 482 N LEU A 36 2.021 -8.563 -4.304 1.00 0.00 N ATOM 483 CA LEU A 36 3.059 -8.955 -3.366 1.00 0.00 C ATOM 484 C LEU A 36 4.360 -9.213 -4.130 1.00 0.00 C ATOM 485 O LEU A 36 4.337 -9.467 -5.333 1.00 0.00 O ATOM 486 CB LEU A 36 2.597 -10.144 -2.521 1.00 0.00 C ATOM 487 CG LEU A 36 2.304 -9.846 -1.049 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.576 -9.947 -0.205 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.617 -8.488 -0.890 1.00 0.00 C ATOM 0 H LEU A 36 1.756 -9.285 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 36 3.257 -8.149 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.696 -10.558 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.363 -10.918 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 36 1.611 -10.602 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.340 -9.731 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.985 -10.954 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.311 -9.228 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.420 -8.301 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.265 -7.704 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.676 -8.490 -1.440 1.00 0.00 H new ATOM 501 N LYS A 37 5.462 -9.138 -3.399 1.00 0.00 N ATOM 502 CA LYS A 37 6.770 -9.360 -3.993 1.00 0.00 C ATOM 503 C LYS A 37 7.252 -10.769 -3.641 1.00 0.00 C ATOM 504 O LYS A 37 7.098 -11.216 -2.506 1.00 0.00 O ATOM 505 CB LYS A 37 7.742 -8.255 -3.576 1.00 0.00 C ATOM 506 CG LYS A 37 9.134 -8.499 -4.164 1.00 0.00 C ATOM 507 CD LYS A 37 9.735 -7.201 -4.706 1.00 0.00 C ATOM 508 CE LYS A 37 11.247 -7.333 -4.895 1.00 0.00 C ATOM 509 NZ LYS A 37 11.624 -7.024 -6.292 1.00 0.00 N ATOM 0 H LYS A 37 5.477 -8.927 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 37 6.710 -9.306 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.366 -7.289 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.805 -8.212 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.788 -8.915 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.071 -9.237 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.267 -6.949 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.521 -6.382 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.765 -6.657 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.564 -8.345 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.654 -7.118 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.144 -7.686 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.339 -6.050 -6.521 1.00 0.00 H new ATOM 523 N ASP A 38 7.827 -11.429 -4.636 1.00 0.00 N ATOM 524 CA ASP A 38 8.333 -12.778 -4.446 1.00 0.00 C ATOM 525 C ASP A 38 9.137 -12.837 -3.145 1.00 0.00 C ATOM 526 O ASP A 38 10.157 -12.163 -3.010 1.00 0.00 O ATOM 527 CB ASP A 38 9.259 -13.185 -5.593 1.00 0.00 C ATOM 528 CG ASP A 38 9.065 -14.615 -6.104 1.00 0.00 C ATOM 529 OD1 ASP A 38 9.525 -15.537 -5.397 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.462 -14.752 -7.190 1.00 0.00 O ATOM 0 H ASP A 38 7.954 -11.055 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 38 7.481 -13.457 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.109 -12.495 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.292 -13.069 -5.265 1.00 0.00 H new ATOM 535 N GLY A 39 8.648 -13.651 -2.222 1.00 0.00 N ATOM 536 CA GLY A 39 9.308 -13.808 -0.937 1.00 0.00 C ATOM 537 C GLY A 39 9.690 -12.449 -0.347 1.00 0.00 C ATOM 538 O GLY A 39 10.823 -12.254 0.091 1.00 0.00 O ATOM 0 H GLY A 39 7.802 -14.209 -2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.649 -14.335 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.201 -14.421 -1.056 1.00 0.00 H new ATOM 542 N GLY A 40 8.723 -11.543 -0.356 1.00 0.00 N ATOM 543 CA GLY A 40 8.943 -10.208 0.173 1.00 0.00 C ATOM 544 C GLY A 40 8.689 -10.166 1.681 1.00 0.00 C ATOM 545 O GLY A 40 8.441 -11.199 2.301 1.00 0.00 O ATOM 0 H GLY A 40 7.785 -11.708 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.966 -9.894 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.284 -9.501 -0.330 1.00 0.00 H new ATOM 549 N LYS A 41 8.760 -8.961 2.228 1.00 0.00 N ATOM 550 CA LYS A 41 8.540 -8.771 3.652 1.00 0.00 C ATOM 551 C LYS A 41 7.048 -8.913 3.957 1.00 0.00 C ATOM 552 O LYS A 41 6.651 -9.761 4.754 1.00 0.00 O ATOM 553 CB LYS A 41 9.139 -7.441 4.113 1.00 0.00 C ATOM 554 CG LYS A 41 10.662 -7.533 4.221 1.00 0.00 C ATOM 555 CD LYS A 41 11.149 -7.013 5.575 1.00 0.00 C ATOM 556 CE LYS A 41 11.696 -8.153 6.436 1.00 0.00 C ATOM 557 NZ LYS A 41 13.141 -7.960 6.694 1.00 0.00 N ATOM 0 H LYS A 41 8.967 -8.107 1.711 1.00 0.00 H new ATOM 0 HA LYS A 41 9.056 -9.542 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.868 -6.653 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.718 -7.164 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.977 -8.568 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.122 -6.956 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.925 -6.263 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.328 -6.521 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.154 -8.195 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.534 -9.106 5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.582 -8.878 6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.591 -7.545 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.267 -7.321 7.505 1.00 0.00 H new ATOM 571 N ALA A 42 6.261 -8.069 3.306 1.00 0.00 N ATOM 572 CA ALA A 42 4.820 -8.090 3.497 1.00 0.00 C ATOM 573 C ALA A 42 4.345 -9.540 3.604 1.00 0.00 C ATOM 574 O ALA A 42 3.719 -9.920 4.592 1.00 0.00 O ATOM 575 CB ALA A 42 4.142 -7.337 2.351 1.00 0.00 C ATOM 0 H ALA A 42 6.594 -7.366 2.646 1.00 0.00 H new ATOM 0 HA ALA A 42 4.548 -7.585 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.062 -7.353 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.491 -6.305 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.389 -7.816 1.404 1.00 0.00 H new ATOM 581 N SER A 43 4.661 -10.310 2.574 1.00 0.00 N ATOM 582 CA SER A 43 4.274 -11.711 2.540 1.00 0.00 C ATOM 583 C SER A 43 4.621 -12.382 3.870 1.00 0.00 C ATOM 584 O SER A 43 3.791 -13.076 4.454 1.00 0.00 O ATOM 585 CB SER A 43 4.955 -12.442 1.382 1.00 0.00 C ATOM 586 OG SER A 43 6.376 -12.350 1.454 1.00 0.00 O ATOM 0 H SER A 43 5.181 -9.991 1.756 1.00 0.00 H new ATOM 0 HA SER A 43 3.197 -11.765 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.659 -13.491 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.612 -12.022 0.436 1.00 0.00 H new ATOM 0 HG SER A 43 6.627 -11.516 1.903 1.00 0.00 H new ATOM 592 N GLN A 44 5.850 -12.152 4.309 1.00 0.00 N ATOM 593 CA GLN A 44 6.318 -12.726 5.559 1.00 0.00 C ATOM 594 C GLN A 44 5.501 -12.180 6.732 1.00 0.00 C ATOM 595 O GLN A 44 5.450 -12.794 7.797 1.00 0.00 O ATOM 596 CB GLN A 44 7.811 -12.461 5.760 1.00 0.00 C ATOM 597 CG GLN A 44 8.656 -13.530 5.065 1.00 0.00 C ATOM 598 CD GLN A 44 10.037 -13.645 5.713 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.192 -14.118 6.827 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.030 -13.186 4.957 1.00 0.00 N ATOM 0 H GLN A 44 6.536 -11.576 3.821 1.00 0.00 H new ATOM 0 HA GLN A 44 6.178 -13.806 5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.066 -11.477 5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.041 -12.446 6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.146 -14.492 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.765 -13.282 4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.832 -12.802 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.990 -13.218 5.301 1.00 0.00 H new ATOM 609 N ALA A 45 4.883 -11.032 6.498 1.00 0.00 N ATOM 610 CA ALA A 45 4.072 -10.396 7.522 1.00 0.00 C ATOM 611 C ALA A 45 2.637 -10.918 7.426 1.00 0.00 C ATOM 612 O ALA A 45 1.724 -10.348 8.023 1.00 0.00 O ATOM 613 CB ALA A 45 4.151 -8.876 7.365 1.00 0.00 C ATOM 0 H ALA A 45 4.928 -10.525 5.614 1.00 0.00 H new ATOM 0 HA ALA A 45 4.447 -10.641 8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.543 -8.399 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.187 -8.553 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.780 -8.592 6.380 1.00 0.00 H new ATOM 619 N HIS A 46 2.482 -11.996 6.671 1.00 0.00 N ATOM 620 CA HIS A 46 1.174 -12.601 6.490 1.00 0.00 C ATOM 621 C HIS A 46 0.228 -11.592 5.836 1.00 0.00 C ATOM 622 O HIS A 46 -0.954 -11.535 6.173 1.00 0.00 O ATOM 623 CB HIS A 46 0.637 -13.143 7.817 1.00 0.00 C ATOM 624 CG HIS A 46 1.205 -14.487 8.206 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.417 -15.610 8.387 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.491 -14.877 8.444 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.203 -16.623 8.721 1.00 0.00 C ATOM 628 NE2 HIS A 46 2.487 -16.167 8.756 1.00 0.00 N ATOM 0 H HIS A 46 3.241 -12.466 6.178 1.00 0.00 H new ATOM 0 HA HIS A 46 1.255 -13.458 5.821 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.857 -12.425 8.607 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.448 -13.223 7.752 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.364 -14.243 8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.882 -17.633 8.929 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.309 -16.725 8.984 1.00 0.00 H new ATOM 636 N VAL A 47 0.783 -10.821 4.913 1.00 0.00 N ATOM 637 CA VAL A 47 0.004 -9.818 4.208 1.00 0.00 C ATOM 638 C VAL A 47 -0.496 -10.402 2.885 1.00 0.00 C ATOM 639 O VAL A 47 0.297 -10.677 1.986 1.00 0.00 O ATOM 640 CB VAL A 47 0.833 -8.545 4.025 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.165 -7.594 3.030 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.076 -7.851 5.367 1.00 0.00 C ATOM 0 H VAL A 47 1.764 -10.871 4.637 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.873 -9.537 4.791 1.00 0.00 H new ATOM 0 HB VAL A 47 1.802 -8.832 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.775 -6.697 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.067 -8.089 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.823 -7.317 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.667 -6.949 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.120 -7.583 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.614 -8.525 6.033 1.00 0.00 H new ATOM 652 N ARG A 48 -1.807 -10.573 2.808 1.00 0.00 N ATOM 653 CA ARG A 48 -2.421 -11.119 1.610 1.00 0.00 C ATOM 654 C ARG A 48 -3.038 -9.998 0.771 1.00 0.00 C ATOM 655 O ARG A 48 -3.340 -8.924 1.290 1.00 0.00 O ATOM 656 CB ARG A 48 -3.507 -12.138 1.963 1.00 0.00 C ATOM 657 CG ARG A 48 -2.920 -13.547 2.076 1.00 0.00 C ATOM 658 CD ARG A 48 -3.417 -14.247 3.343 1.00 0.00 C ATOM 659 NE ARG A 48 -2.923 -13.534 4.542 1.00 0.00 N ATOM 660 CZ ARG A 48 -3.409 -13.717 5.778 1.00 0.00 C ATOM 661 NH1 ARG A 48 -4.403 -14.591 5.984 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.900 -13.025 6.807 1.00 0.00 N ATOM 0 H ARG A 48 -2.461 -10.343 3.556 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.641 -11.620 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.979 -11.860 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.285 -12.124 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.198 -14.132 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.831 -13.492 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.507 -14.275 3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.072 -15.281 3.356 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.166 -12.862 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.790 -15.117 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.773 -14.730 6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.143 -12.359 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.269 -13.164 7.748 1.00 0.00 H new ATOM 676 N ILE A 49 -3.206 -10.286 -0.511 1.00 0.00 N ATOM 677 CA ILE A 49 -3.781 -9.315 -1.427 1.00 0.00 C ATOM 678 C ILE A 49 -5.217 -9.007 -1.000 1.00 0.00 C ATOM 679 O ILE A 49 -6.004 -9.919 -0.752 1.00 0.00 O ATOM 680 CB ILE A 49 -3.660 -9.804 -2.872 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.233 -9.624 -3.394 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.690 -9.118 -3.771 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.215 -9.532 -4.921 1.00 0.00 C ATOM 0 H ILE A 49 -2.954 -11.178 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.227 -8.377 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.877 -10.872 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.797 -8.721 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.615 -10.461 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.582 -9.483 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.694 -9.341 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.529 -8.040 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.189 -9.404 -5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.629 -10.446 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.814 -8.680 -5.241 1.00 0.00 H new ATOM 695 N GLY A 50 -5.516 -7.718 -0.929 1.00 0.00 N ATOM 696 CA GLY A 50 -6.844 -7.277 -0.537 1.00 0.00 C ATOM 697 C GLY A 50 -6.805 -6.552 0.810 1.00 0.00 C ATOM 698 O GLY A 50 -7.762 -5.873 1.180 1.00 0.00 O ATOM 0 H GLY A 50 -4.861 -6.964 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.251 -6.613 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.512 -8.136 -0.473 1.00 0.00 H new ATOM 702 N ASP A 51 -5.690 -6.721 1.505 1.00 0.00 N ATOM 703 CA ASP A 51 -5.515 -6.090 2.802 1.00 0.00 C ATOM 704 C ASP A 51 -5.749 -4.584 2.669 1.00 0.00 C ATOM 705 O ASP A 51 -5.094 -3.919 1.869 1.00 0.00 O ATOM 706 CB ASP A 51 -4.095 -6.303 3.331 1.00 0.00 C ATOM 707 CG ASP A 51 -3.749 -7.749 3.690 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.558 -8.632 3.333 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.682 -7.939 4.314 1.00 0.00 O ATOM 0 H ASP A 51 -4.899 -7.285 1.195 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.229 -6.538 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.387 -5.952 2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.956 -5.682 4.216 1.00 0.00 H new ATOM 714 N VAL A 52 -6.686 -4.090 3.465 1.00 0.00 N ATOM 715 CA VAL A 52 -7.015 -2.675 3.446 1.00 0.00 C ATOM 716 C VAL A 52 -6.184 -1.949 4.506 1.00 0.00 C ATOM 717 O VAL A 52 -6.125 -2.379 5.656 1.00 0.00 O ATOM 718 CB VAL A 52 -8.521 -2.485 3.634 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.879 -1.001 3.731 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.304 -3.166 2.509 1.00 0.00 C ATOM 0 H VAL A 52 -7.228 -4.645 4.127 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.764 -2.237 2.480 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.804 -2.959 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.956 -0.894 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.362 -0.557 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.575 -0.493 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.372 -3.016 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.014 -2.734 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.084 -4.234 2.507 1.00 0.00 H new ATOM 730 N VAL A 53 -5.563 -0.859 4.080 1.00 0.00 N ATOM 731 CA VAL A 53 -4.738 -0.068 4.978 1.00 0.00 C ATOM 732 C VAL A 53 -5.631 0.875 5.786 1.00 0.00 C ATOM 733 O VAL A 53 -6.197 1.820 5.239 1.00 0.00 O ATOM 734 CB VAL A 53 -3.656 0.667 4.184 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.718 1.435 5.117 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.874 -0.302 3.295 1.00 0.00 C ATOM 0 H VAL A 53 -5.614 -0.505 3.125 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.220 -0.713 5.688 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.150 1.391 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.958 1.948 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.291 2.167 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.236 0.738 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.112 0.246 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.397 -1.061 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.556 -0.783 2.593 1.00 0.00 H new ATOM 746 N LEU A 54 -5.729 0.585 7.075 1.00 0.00 N ATOM 747 CA LEU A 54 -6.544 1.395 7.964 1.00 0.00 C ATOM 748 C LEU A 54 -5.801 2.693 8.289 1.00 0.00 C ATOM 749 O LEU A 54 -6.375 3.778 8.211 1.00 0.00 O ATOM 750 CB LEU A 54 -6.948 0.592 9.202 1.00 0.00 C ATOM 751 CG LEU A 54 -7.937 -0.552 8.966 1.00 0.00 C ATOM 752 CD1 LEU A 54 -8.017 -1.469 10.188 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.311 -0.014 8.562 1.00 0.00 C ATOM 0 H LEU A 54 -5.257 -0.200 7.525 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.477 1.675 7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.046 0.179 9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.383 1.278 9.929 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.570 -1.155 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.727 -2.273 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.034 -1.894 10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.348 -0.894 11.053 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.995 -0.847 8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.699 0.625 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.219 0.564 7.642 1.00 0.00 H new ATOM 765 N SER A 55 -4.535 2.538 8.647 1.00 0.00 N ATOM 766 CA SER A 55 -3.707 3.684 8.984 1.00 0.00 C ATOM 767 C SER A 55 -2.276 3.459 8.491 1.00 0.00 C ATOM 768 O SER A 55 -1.901 2.337 8.155 1.00 0.00 O ATOM 769 CB SER A 55 -3.714 3.943 10.492 1.00 0.00 C ATOM 770 OG SER A 55 -5.037 3.998 11.018 1.00 0.00 O ATOM 0 H SER A 55 -4.062 1.636 8.711 1.00 0.00 H new ATOM 0 HA SER A 55 -4.121 4.563 8.489 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.155 3.155 10.998 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.201 4.882 10.701 1.00 0.00 H new ATOM 0 HG SER A 55 -4.999 4.163 11.983 1.00 0.00 H new ATOM 776 N ILE A 56 -1.516 4.544 8.464 1.00 0.00 N ATOM 777 CA ILE A 56 -0.135 4.479 8.017 1.00 0.00 C ATOM 778 C ILE A 56 0.715 5.429 8.863 1.00 0.00 C ATOM 779 O ILE A 56 0.351 6.589 9.055 1.00 0.00 O ATOM 780 CB ILE A 56 -0.045 4.747 6.514 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.349 3.479 5.712 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.313 5.346 6.144 1.00 0.00 C ATOM 783 CD1 ILE A 56 -0.593 3.809 4.238 1.00 0.00 C ATOM 0 H ILE A 56 -1.830 5.473 8.744 1.00 0.00 H new ATOM 0 HA ILE A 56 0.266 3.476 8.163 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.804 5.484 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.483 2.781 5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.226 2.983 6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.350 5.527 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.452 6.287 6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.105 4.651 6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.807 2.891 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.441 4.488 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.295 4.283 3.819 1.00 0.00 H new ATOM 795 N ASP A 57 1.831 4.903 9.346 1.00 0.00 N ATOM 796 CA ASP A 57 2.735 5.690 10.167 1.00 0.00 C ATOM 797 C ASP A 57 1.962 6.281 11.347 1.00 0.00 C ATOM 798 O ASP A 57 2.327 7.335 11.868 1.00 0.00 O ATOM 799 CB ASP A 57 3.337 6.848 9.368 1.00 0.00 C ATOM 800 CG ASP A 57 4.390 7.670 10.114 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.253 7.036 10.758 1.00 0.00 O ATOM 802 OD2 ASP A 57 4.307 8.914 10.024 1.00 0.00 O ATOM 0 H ASP A 57 2.130 3.941 9.184 1.00 0.00 H new ATOM 0 HA ASP A 57 3.535 5.035 10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.787 6.448 8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.531 7.513 9.058 1.00 0.00 H new ATOM 807 N GLY A 58 0.909 5.577 11.736 1.00 0.00 N ATOM 808 CA GLY A 58 0.082 6.019 12.845 1.00 0.00 C ATOM 809 C GLY A 58 -0.992 7.001 12.372 1.00 0.00 C ATOM 810 O GLY A 58 -1.751 7.533 13.180 1.00 0.00 O ATOM 0 H GLY A 58 0.610 4.703 11.303 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.391 5.157 13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.706 6.494 13.602 1.00 0.00 H new ATOM 814 N ILE A 59 -1.020 7.212 11.064 1.00 0.00 N ATOM 815 CA ILE A 59 -1.987 8.122 10.473 1.00 0.00 C ATOM 816 C ILE A 59 -3.171 7.318 9.931 1.00 0.00 C ATOM 817 O ILE A 59 -2.988 6.396 9.137 1.00 0.00 O ATOM 818 CB ILE A 59 -1.316 9.011 9.425 1.00 0.00 C ATOM 819 CG1 ILE A 59 -0.028 9.629 9.973 1.00 0.00 C ATOM 820 CG2 ILE A 59 -2.286 10.074 8.905 1.00 0.00 C ATOM 821 CD1 ILE A 59 -0.325 10.905 10.762 1.00 0.00 C ATOM 0 H ILE A 59 -0.389 6.768 10.397 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.381 8.802 11.228 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.037 8.387 8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.480 8.910 10.616 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.650 9.856 9.150 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.784 10.692 8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.149 9.588 8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.618 10.700 9.733 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.607 11.324 11.140 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.811 11.631 10.110 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.983 10.671 11.599 1.00 0.00 H new ATOM 833 N SER A 60 -4.358 7.696 10.382 1.00 0.00 N ATOM 834 CA SER A 60 -5.571 7.022 9.952 1.00 0.00 C ATOM 835 C SER A 60 -5.813 7.279 8.464 1.00 0.00 C ATOM 836 O SER A 60 -5.862 8.428 8.028 1.00 0.00 O ATOM 837 CB SER A 60 -6.777 7.483 10.773 1.00 0.00 C ATOM 838 OG SER A 60 -7.995 6.914 10.298 1.00 0.00 O ATOM 0 H SER A 60 -4.505 8.460 11.041 1.00 0.00 H new ATOM 0 HA SER A 60 -5.443 5.952 10.113 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.631 7.208 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.846 8.570 10.737 1.00 0.00 H new ATOM 0 HG SER A 60 -8.741 7.231 10.849 1.00 0.00 H new ATOM 844 N ALA A 61 -5.958 6.189 7.724 1.00 0.00 N ATOM 845 CA ALA A 61 -6.193 6.281 6.293 1.00 0.00 C ATOM 846 C ALA A 61 -7.696 6.405 6.035 1.00 0.00 C ATOM 847 O ALA A 61 -8.234 5.743 5.149 1.00 0.00 O ATOM 848 CB ALA A 61 -5.580 5.066 5.595 1.00 0.00 C ATOM 0 H ALA A 61 -5.917 5.237 8.089 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.713 7.169 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.757 5.136 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.507 5.040 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.039 4.155 5.980 1.00 0.00 H new ATOM 854 N GLN A 62 -8.332 7.258 6.825 1.00 0.00 N ATOM 855 CA GLN A 62 -9.762 7.477 6.693 1.00 0.00 C ATOM 856 C GLN A 62 -10.032 8.802 5.978 1.00 0.00 C ATOM 857 O GLN A 62 -10.933 9.547 6.363 1.00 0.00 O ATOM 858 CB GLN A 62 -10.451 7.440 8.059 1.00 0.00 C ATOM 859 CG GLN A 62 -10.840 6.010 8.438 1.00 0.00 C ATOM 860 CD GLN A 62 -12.331 5.918 8.772 1.00 0.00 C ATOM 861 OE1 GLN A 62 -13.079 6.875 8.659 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.718 4.716 9.189 1.00 0.00 N ATOM 0 H GLN A 62 -7.883 7.806 7.559 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.179 6.670 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.786 7.853 8.817 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.341 8.070 8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.606 5.335 7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.251 5.684 9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.039 3.958 9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.694 4.552 9.437 1.00 0.00 H new ATOM 871 N GLY A 63 -9.236 9.057 4.950 1.00 0.00 N ATOM 872 CA GLY A 63 -9.378 10.279 4.178 1.00 0.00 C ATOM 873 C GLY A 63 -8.063 10.649 3.490 1.00 0.00 C ATOM 874 O GLY A 63 -7.660 11.811 3.497 1.00 0.00 O ATOM 0 H GLY A 63 -8.490 8.437 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.161 10.152 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.692 11.092 4.832 1.00 0.00 H new ATOM 878 N MET A 64 -7.431 9.638 2.911 1.00 0.00 N ATOM 879 CA MET A 64 -6.169 9.843 2.220 1.00 0.00 C ATOM 880 C MET A 64 -6.169 9.139 0.861 1.00 0.00 C ATOM 881 O MET A 64 -6.672 8.024 0.735 1.00 0.00 O ATOM 882 CB MET A 64 -5.023 9.300 3.076 1.00 0.00 C ATOM 883 CG MET A 64 -4.929 10.052 4.405 1.00 0.00 C ATOM 884 SD MET A 64 -3.239 10.068 4.979 1.00 0.00 S ATOM 885 CE MET A 64 -2.943 8.313 5.120 1.00 0.00 C ATOM 0 H MET A 64 -7.769 8.676 2.906 1.00 0.00 H new ATOM 0 HA MET A 64 -6.036 10.912 2.056 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.177 8.238 3.265 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.082 9.394 2.533 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.289 11.073 4.281 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.570 9.576 5.148 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.925 8.143 5.470 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.648 7.881 5.830 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.075 7.842 4.146 1.00 0.00 H new ATOM 895 N THR A 65 -5.598 9.820 -0.122 1.00 0.00 N ATOM 896 CA THR A 65 -5.525 9.274 -1.467 1.00 0.00 C ATOM 897 C THR A 65 -4.283 8.393 -1.618 1.00 0.00 C ATOM 898 O THR A 65 -3.423 8.370 -0.739 1.00 0.00 O ATOM 899 CB THR A 65 -5.566 10.442 -2.454 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.268 11.022 -2.359 1.00 0.00 O ATOM 901 CG2 THR A 65 -6.507 11.559 -2.000 1.00 0.00 C ATOM 0 H THR A 65 -5.182 10.745 -0.014 1.00 0.00 H new ATOM 0 HA THR A 65 -6.374 8.623 -1.677 1.00 0.00 H new ATOM 0 HB THR A 65 -5.879 10.079 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.206 11.787 -2.968 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.499 12.363 -2.736 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.519 11.166 -1.904 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.175 11.946 -1.037 1.00 0.00 H new ATOM 909 N HIS A 66 -4.229 7.689 -2.739 1.00 0.00 N ATOM 910 CA HIS A 66 -3.107 6.809 -3.017 1.00 0.00 C ATOM 911 C HIS A 66 -1.795 7.564 -2.792 1.00 0.00 C ATOM 912 O HIS A 66 -0.869 7.036 -2.177 1.00 0.00 O ATOM 913 CB HIS A 66 -3.217 6.217 -4.424 1.00 0.00 C ATOM 914 CG HIS A 66 -2.473 4.915 -4.601 1.00 0.00 C ATOM 915 ND1 HIS A 66 -1.802 4.588 -5.767 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.300 3.863 -3.750 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.255 3.391 -5.613 1.00 0.00 C ATOM 918 NE2 HIS A 66 -1.565 2.943 -4.362 1.00 0.00 N ATOM 0 H HIS A 66 -4.945 7.710 -3.466 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.123 5.964 -2.328 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.269 6.057 -4.659 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.836 6.942 -5.143 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -1.739 5.170 -6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.695 3.791 -2.747 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.667 2.863 -6.349 1.00 0.00 H new ATOM 926 N LEU A 67 -1.758 8.786 -3.303 1.00 0.00 N ATOM 927 CA LEU A 67 -0.574 9.618 -3.165 1.00 0.00 C ATOM 928 C LEU A 67 -0.259 9.806 -1.680 1.00 0.00 C ATOM 929 O LEU A 67 0.870 9.577 -1.248 1.00 0.00 O ATOM 930 CB LEU A 67 -0.753 10.932 -3.928 1.00 0.00 C ATOM 931 CG LEU A 67 -0.252 12.192 -3.219 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.239 12.643 -2.140 1.00 0.00 C ATOM 933 CD2 LEU A 67 1.155 11.983 -2.656 1.00 0.00 C ATOM 0 H LEU A 67 -2.528 9.220 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 67 0.291 9.130 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.237 10.847 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.813 11.060 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.188 12.994 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.859 13.540 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.204 12.860 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.358 11.850 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.486 12.894 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.142 11.162 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.841 11.744 -3.469 1.00 0.00 H new ATOM 945 N GLU A 68 -1.275 10.222 -0.940 1.00 0.00 N ATOM 946 CA GLU A 68 -1.120 10.444 0.488 1.00 0.00 C ATOM 947 C GLU A 68 -0.414 9.251 1.136 1.00 0.00 C ATOM 948 O GLU A 68 0.696 9.386 1.648 1.00 0.00 O ATOM 949 CB GLU A 68 -2.473 10.708 1.152 1.00 0.00 C ATOM 950 CG GLU A 68 -2.907 12.162 0.953 1.00 0.00 C ATOM 951 CD GLU A 68 -3.158 12.848 2.297 1.00 0.00 C ATOM 952 OE1 GLU A 68 -2.221 12.835 3.124 1.00 0.00 O ATOM 953 OE2 GLU A 68 -4.281 13.370 2.467 1.00 0.00 O ATOM 0 H GLU A 68 -2.210 10.411 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.502 11.330 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.225 10.040 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.409 10.486 2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.137 12.703 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.814 12.195 0.349 1.00 0.00 H new ATOM 960 N ALA A 69 -1.088 8.111 1.094 1.00 0.00 N ATOM 961 CA ALA A 69 -0.539 6.896 1.672 1.00 0.00 C ATOM 962 C ALA A 69 0.899 6.710 1.186 1.00 0.00 C ATOM 963 O ALA A 69 1.805 6.486 1.987 1.00 0.00 O ATOM 964 CB ALA A 69 -1.435 5.709 1.310 1.00 0.00 C ATOM 0 H ALA A 69 -2.009 8.003 0.669 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.513 6.966 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.024 4.797 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.438 5.877 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.482 5.606 0.226 1.00 0.00 H new ATOM 970 N GLN A 70 1.065 6.809 -0.125 1.00 0.00 N ATOM 971 CA GLN A 70 2.378 6.655 -0.728 1.00 0.00 C ATOM 972 C GLN A 70 3.368 7.640 -0.102 1.00 0.00 C ATOM 973 O GLN A 70 4.496 7.271 0.219 1.00 0.00 O ATOM 974 CB GLN A 70 2.310 6.835 -2.245 1.00 0.00 C ATOM 975 CG GLN A 70 1.326 5.844 -2.872 1.00 0.00 C ATOM 976 CD GLN A 70 2.068 4.718 -3.594 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.937 4.060 -3.045 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.679 4.533 -4.852 1.00 0.00 N ATOM 0 H GLN A 70 0.311 6.994 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 70 2.730 5.642 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.004 7.854 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.301 6.692 -2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.684 5.424 -2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.677 6.366 -3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.945 5.119 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.114 3.805 -5.419 1.00 0.00 H new ATOM 987 N ASN A 71 2.909 8.873 0.051 1.00 0.00 N ATOM 988 CA ASN A 71 3.741 9.914 0.632 1.00 0.00 C ATOM 989 C ASN A 71 4.280 9.435 1.982 1.00 0.00 C ATOM 990 O ASN A 71 5.483 9.499 2.231 1.00 0.00 O ATOM 991 CB ASN A 71 2.935 11.193 0.871 1.00 0.00 C ATOM 992 CG ASN A 71 3.382 12.307 -0.077 1.00 0.00 C ATOM 993 OD1 ASN A 71 2.422 13.177 -0.380 1.00 0.00 O flip ATOM 994 ND2 ASN A 71 4.522 12.373 -0.507 1.00 0.00 N flip ATOM 0 H ASN A 71 1.972 9.175 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 71 4.554 10.125 -0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.874 10.991 0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.059 11.518 1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.211 11.672 -0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.786 13.129 -1.139 1.00 0.00 H new ATOM 1001 N LYS A 72 3.364 8.967 2.816 1.00 0.00 N ATOM 1002 CA LYS A 72 3.733 8.478 4.134 1.00 0.00 C ATOM 1003 C LYS A 72 4.791 7.383 3.989 1.00 0.00 C ATOM 1004 O LYS A 72 5.891 7.502 4.528 1.00 0.00 O ATOM 1005 CB LYS A 72 2.490 8.033 4.908 1.00 0.00 C ATOM 1006 CG LYS A 72 1.669 9.240 5.366 1.00 0.00 C ATOM 1007 CD LYS A 72 2.079 9.681 6.773 1.00 0.00 C ATOM 1008 CE LYS A 72 1.439 11.022 7.136 1.00 0.00 C ATOM 1009 NZ LYS A 72 2.161 11.652 8.263 1.00 0.00 N ATOM 0 H LYS A 72 2.367 8.916 2.605 1.00 0.00 H new ATOM 0 HA LYS A 72 4.179 9.277 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.876 7.389 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.788 7.442 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.808 10.065 4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.609 8.988 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.779 8.923 7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.164 9.765 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.454 11.685 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.393 10.872 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.512 12.272 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.525 10.913 8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.955 12.214 7.896 1.00 0.00 H new ATOM 1023 N ILE A 73 4.422 6.340 3.259 1.00 0.00 N ATOM 1024 CA ILE A 73 5.326 5.225 3.036 1.00 0.00 C ATOM 1025 C ILE A 73 6.679 5.757 2.558 1.00 0.00 C ATOM 1026 O ILE A 73 7.726 5.300 3.013 1.00 0.00 O ATOM 1027 CB ILE A 73 4.696 4.206 2.085 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.491 3.522 2.735 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.735 3.194 1.598 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.280 3.541 1.800 1.00 0.00 C ATOM 0 H ILE A 73 3.509 6.244 2.815 1.00 0.00 H new ATOM 0 HA ILE A 73 5.505 4.689 3.968 1.00 0.00 H new ATOM 0 HB ILE A 73 4.330 4.739 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.745 2.492 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.242 4.026 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.260 2.481 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.533 3.717 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.153 2.662 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.437 3.049 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.014 4.573 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.525 3.015 0.877 1.00 0.00 H new ATOM 1042 N LYS A 74 6.612 6.717 1.647 1.00 0.00 N ATOM 1043 CA LYS A 74 7.818 7.317 1.103 1.00 0.00 C ATOM 1044 C LYS A 74 8.547 8.081 2.210 1.00 0.00 C ATOM 1045 O LYS A 74 9.764 8.254 2.152 1.00 0.00 O ATOM 1046 CB LYS A 74 7.486 8.174 -0.120 1.00 0.00 C ATOM 1047 CG LYS A 74 7.963 7.500 -1.408 1.00 0.00 C ATOM 1048 CD LYS A 74 7.729 8.405 -2.620 1.00 0.00 C ATOM 1049 CE LYS A 74 8.878 9.400 -2.791 1.00 0.00 C ATOM 1050 NZ LYS A 74 8.488 10.489 -3.715 1.00 0.00 N ATOM 0 H LYS A 74 5.741 7.094 1.272 1.00 0.00 H new ATOM 0 HA LYS A 74 8.500 6.545 0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.410 8.341 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.957 9.152 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.024 7.262 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.434 6.557 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.633 7.797 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.790 8.945 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.152 9.818 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.758 8.885 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.279 11.155 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.249 10.087 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.662 10.991 -3.331 1.00 0.00 H new ATOM 1064 N ALA A 75 7.773 8.519 3.192 1.00 0.00 N ATOM 1065 CA ALA A 75 8.329 9.261 4.310 1.00 0.00 C ATOM 1066 C ALA A 75 9.015 8.288 5.271 1.00 0.00 C ATOM 1067 O ALA A 75 10.048 8.611 5.855 1.00 0.00 O ATOM 1068 CB ALA A 75 7.221 10.068 4.990 1.00 0.00 C ATOM 0 H ALA A 75 6.764 8.374 3.236 1.00 0.00 H new ATOM 0 HA ALA A 75 9.082 9.969 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.639 10.625 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.786 10.764 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.448 9.391 5.353 1.00 0.00 H new ATOM 1106 N SER A 79 11.562 1.699 8.564 1.00 0.00 N ATOM 1107 CA SER A 79 10.504 0.730 8.792 1.00 0.00 C ATOM 1108 C SER A 79 9.157 1.316 8.365 1.00 0.00 C ATOM 1109 O SER A 79 9.016 2.531 8.241 1.00 0.00 O ATOM 1110 CB SER A 79 10.456 0.303 10.261 1.00 0.00 C ATOM 1111 OG SER A 79 10.744 1.386 11.141 1.00 0.00 O ATOM 0 HA SER A 79 10.715 -0.155 8.191 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.469 -0.098 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.173 -0.501 10.429 1.00 0.00 H new ATOM 0 HG SER A 79 11.280 2.057 10.669 1.00 0.00 H new ATOM 1117 N LEU A 80 8.201 0.424 8.152 1.00 0.00 N ATOM 1118 CA LEU A 80 6.870 0.837 7.741 1.00 0.00 C ATOM 1119 C LEU A 80 5.850 0.360 8.778 1.00 0.00 C ATOM 1120 O LEU A 80 5.681 -0.841 8.981 1.00 0.00 O ATOM 1121 CB LEU A 80 6.573 0.354 6.320 1.00 0.00 C ATOM 1122 CG LEU A 80 5.701 1.277 5.467 1.00 0.00 C ATOM 1123 CD1 LEU A 80 6.327 2.669 5.349 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.422 0.656 4.097 1.00 0.00 C ATOM 0 H LEU A 80 8.322 -0.583 8.256 1.00 0.00 H new ATOM 0 HA LEU A 80 6.804 1.924 7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.521 0.203 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.085 -0.619 6.383 1.00 0.00 H new ATOM 0 HG LEU A 80 4.740 1.398 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.687 3.305 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.431 3.106 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.309 2.588 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.800 1.333 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.364 0.486 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.903 -0.293 4.227 1.00 0.00 H new ATOM 1136 N ASN A 81 5.196 1.326 9.406 1.00 0.00 N ATOM 1137 CA ASN A 81 4.198 1.020 10.416 1.00 0.00 C ATOM 1138 C ASN A 81 2.808 1.359 9.873 1.00 0.00 C ATOM 1139 O ASN A 81 2.441 2.529 9.785 1.00 0.00 O ATOM 1140 CB ASN A 81 4.424 1.847 11.683 1.00 0.00 C ATOM 1141 CG ASN A 81 5.134 1.021 12.758 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.535 0.546 13.709 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.440 0.877 12.555 1.00 0.00 N ATOM 0 H ASN A 81 5.338 2.321 9.235 1.00 0.00 H new ATOM 0 HA ASN A 81 4.278 -0.040 10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.019 2.729 11.445 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.467 2.202 12.065 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.003 0.342 13.217 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.879 1.301 11.738 1.00 0.00 H new ATOM 1150 N MET A 82 2.074 0.313 9.522 1.00 0.00 N ATOM 1151 CA MET A 82 0.733 0.485 8.990 1.00 0.00 C ATOM 1152 C MET A 82 -0.222 -0.566 9.559 1.00 0.00 C ATOM 1153 O MET A 82 0.193 -1.679 9.878 1.00 0.00 O ATOM 1154 CB MET A 82 0.770 0.369 7.465 1.00 0.00 C ATOM 1155 CG MET A 82 2.020 1.042 6.894 1.00 0.00 C ATOM 1156 SD MET A 82 2.065 0.842 5.121 1.00 0.00 S ATOM 1157 CE MET A 82 2.440 -0.900 5.014 1.00 0.00 C ATOM 0 H MET A 82 2.383 -0.656 9.596 1.00 0.00 H new ATOM 0 HA MET A 82 0.371 1.472 9.280 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.754 -0.682 7.176 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.122 0.830 7.040 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.021 2.102 7.149 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.914 0.606 7.340 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.627 -1.169 3.974 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.326 -1.119 5.610 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.596 -1.478 5.392 1.00 0.00 H new ATOM 1167 N THR A 83 -1.483 -0.176 9.669 1.00 0.00 N ATOM 1168 CA THR A 83 -2.501 -1.070 10.194 1.00 0.00 C ATOM 1169 C THR A 83 -3.308 -1.689 9.052 1.00 0.00 C ATOM 1170 O THR A 83 -3.548 -1.041 8.034 1.00 0.00 O ATOM 1171 CB THR A 83 -3.358 -0.281 11.186 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.421 0.539 11.879 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.956 -1.170 12.279 1.00 0.00 C ATOM 0 H THR A 83 -1.823 0.748 9.403 1.00 0.00 H new ATOM 0 HA THR A 83 -2.053 -1.910 10.726 1.00 0.00 H new ATOM 0 HB THR A 83 -4.161 0.225 10.650 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.892 1.086 12.542 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.555 -0.561 12.956 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.587 -1.933 11.823 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.153 -1.650 12.837 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.704 -2.937 9.258 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.479 -3.651 8.257 1.00 0.00 C ATOM 1183 C LEU A 84 -5.870 -3.954 8.818 1.00 0.00 C ATOM 1184 O LEU A 84 -6.073 -3.932 10.031 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.724 -4.893 7.780 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.299 -4.658 7.274 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.666 -5.965 6.794 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.273 -3.576 6.192 1.00 0.00 C ATOM 0 H LEU A 84 -3.503 -3.472 10.103 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.619 -3.033 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.683 -5.607 8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.300 -5.359 6.981 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.696 -4.295 8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.654 -5.770 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.631 -6.677 7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.261 -6.381 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.249 -3.428 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.895 -3.886 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.657 -2.642 6.602 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.793 -4.231 7.907 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.159 -4.538 8.295 1.00 0.00 C ATOM 1202 C GLN A 85 -8.428 -6.037 8.146 1.00 0.00 C ATOM 1203 O GLN A 85 -8.277 -6.593 7.059 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.159 -3.717 7.479 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.556 -4.339 7.538 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.550 -3.533 6.699 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.193 -2.618 5.975 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -12.814 -3.922 6.837 1.00 0.00 N ATOM 0 H GLN A 85 -6.621 -4.249 6.902 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.288 -4.268 9.343 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.195 -2.697 7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.827 -3.658 6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.517 -5.366 7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.897 -4.380 8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.044 -4.696 7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.553 -3.447 6.320 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.822 -6.648 9.253 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.114 -8.072 9.259 1.00 0.00 C ATOM 1219 C ARG A 86 -10.488 -8.334 8.640 1.00 0.00 C ATOM 1220 O ARG A 86 -11.362 -7.469 8.669 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.088 -8.633 10.682 1.00 0.00 C ATOM 1222 CG ARG A 86 -10.415 -8.375 11.398 1.00 0.00 C ATOM 1223 CD ARG A 86 -10.680 -6.875 11.538 1.00 0.00 C ATOM 1224 NE ARG A 86 -11.824 -6.645 12.448 1.00 0.00 N ATOM 1225 CZ ARG A 86 -13.109 -6.715 12.073 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -13.421 -7.007 10.803 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -14.081 -6.492 12.967 1.00 0.00 N ATOM 0 H ARG A 86 -8.946 -6.183 10.153 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.345 -8.571 8.670 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.890 -9.704 10.651 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.273 -8.175 11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.229 -8.841 10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.396 -8.838 12.385 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.792 -6.375 11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.890 -6.442 10.560 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.622 -6.419 13.422 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.681 -7.176 10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.399 -7.060 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.844 -6.269 13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.059 -6.545 12.681 1.00 0.00 H new