USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 597 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 50 ASN : amide:sc= 1.03 K(o=2.6,f=-0.058) USER MOD Set 1.2: A 58 THR OG1 : rot 114:sc= 1.08 USER MOD Set 1.3: A 68 THR OG1 : rot -122:sc= 0.528 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -179:sc= 2.15 (180deg=0.912) USER MOD Set 2.2: A 25 THR OG1 : rot 81:sc= 1.67 USER MOD Set 2.3: A 31 TYR OH : rot -178:sc= 1.02 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 115:sc= 0.44 USER MOD Single : A 10 THR OG1 : rot 149:sc= -1.25! USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 16 TYR OH : rot 0:sc= 0.822 USER MOD Single : A 22 THR OG1 : rot -88:sc= 1.26 USER MOD Single : A 27 ASN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.31! C(o=-1.3!,f=-2.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= -0.0173 (180deg=-0.154) USER MOD Single : A 65 SER OG : rot 104:sc= 0.301 USER MOD Single : A 66 THR OG1 : rot -170:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.896 K(o=0.9,f=-4.2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 175:sc=-0.00368 (180deg=-0.0397) USER MOD Single : A 78 LYS NZ :NH3+ -116:sc= 0.963 (180deg=0.0472) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0202) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 5.812 3.169 6.013 1.00 0.00 N ATOM 61 CA ALA A 5 5.838 4.065 4.878 1.00 0.00 C ATOM 62 C ALA A 5 4.665 3.816 3.950 1.00 0.00 C ATOM 63 O ALA A 5 3.837 4.713 3.719 1.00 0.00 O ATOM 64 CB ALA A 5 7.157 3.934 4.143 1.00 0.00 C ATOM 0 HA ALA A 5 5.746 5.087 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.167 4.612 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.976 4.186 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.278 2.909 3.793 1.00 0.00 H new ATOM 70 N LEU A 6 4.570 2.602 3.454 1.00 0.00 N ATOM 71 CA LEU A 6 3.502 2.229 2.558 1.00 0.00 C ATOM 72 C LEU A 6 2.177 2.204 3.277 1.00 0.00 C ATOM 73 O LEU A 6 1.989 1.497 4.277 1.00 0.00 O ATOM 74 CB LEU A 6 3.743 0.899 1.815 1.00 0.00 C ATOM 75 CG LEU A 6 4.117 -0.321 2.632 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.722 -1.566 1.872 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.610 -0.363 2.880 1.00 0.00 C ATOM 0 H LEU A 6 5.228 1.850 3.660 1.00 0.00 H new ATOM 0 HA LEU A 6 3.480 3.002 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.838 0.661 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.534 1.065 1.084 1.00 0.00 H new ATOM 0 HG LEU A 6 3.597 -0.270 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.989 -2.448 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.646 -1.559 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.246 -1.591 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.856 -1.247 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.136 -0.404 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.914 0.531 3.424 1.00 0.00 H new ATOM 89 N THR A 7 1.298 3.000 2.794 1.00 0.00 N ATOM 90 CA THR A 7 -0.002 3.133 3.331 1.00 0.00 C ATOM 91 C THR A 7 -0.971 2.381 2.409 1.00 0.00 C ATOM 92 O THR A 7 -1.159 2.759 1.255 1.00 0.00 O ATOM 93 CB THR A 7 -0.312 4.629 3.403 1.00 0.00 C ATOM 94 OG1 THR A 7 0.799 5.273 4.090 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.610 4.891 4.141 1.00 0.00 C ATOM 0 H THR A 7 1.471 3.598 1.986 1.00 0.00 H new ATOM 0 HA THR A 7 -0.094 2.711 4.332 1.00 0.00 H new ATOM 0 HB THR A 7 -0.433 5.030 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.631 6.237 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.800 5.964 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.430 4.393 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.535 4.505 5.157 1.00 0.00 H new ATOM 103 N ILE A 8 -1.521 1.301 2.901 1.00 0.00 N ATOM 104 CA ILE A 8 -2.362 0.426 2.112 1.00 0.00 C ATOM 105 C ILE A 8 -3.823 0.650 2.439 1.00 0.00 C ATOM 106 O ILE A 8 -4.194 0.834 3.584 1.00 0.00 O ATOM 107 CB ILE A 8 -2.004 -1.068 2.355 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.548 -1.336 1.982 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.934 -2.002 1.577 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.128 -2.766 2.202 1.00 0.00 C ATOM 0 H ILE A 8 -1.399 0.998 3.867 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.186 0.664 1.063 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.139 -1.272 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.395 -1.077 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.096 -0.681 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.655 -3.038 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.964 -1.838 1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.847 -1.796 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.917 -2.886 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.249 -3.023 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.748 -3.425 1.594 1.00 0.00 H new ATOM 122 N TYR A 9 -4.627 0.648 1.441 1.00 0.00 N ATOM 123 CA TYR A 9 -6.037 0.800 1.597 1.00 0.00 C ATOM 124 C TYR A 9 -6.681 -0.587 1.718 1.00 0.00 C ATOM 125 O TYR A 9 -6.466 -1.442 0.864 1.00 0.00 O ATOM 126 CB TYR A 9 -6.579 1.608 0.417 1.00 0.00 C ATOM 127 CG TYR A 9 -6.003 3.022 0.345 1.00 0.00 C ATOM 128 CD1 TYR A 9 -4.797 3.271 -0.294 1.00 0.00 C ATOM 129 CD2 TYR A 9 -6.660 4.097 0.925 1.00 0.00 C ATOM 130 CE1 TYR A 9 -4.266 4.531 -0.359 1.00 0.00 C ATOM 131 CE2 TYR A 9 -6.130 5.376 0.862 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.930 5.581 0.217 1.00 0.00 C ATOM 133 OH TYR A 9 -4.392 6.837 0.147 1.00 0.00 O ATOM 0 H TYR A 9 -4.325 0.539 0.473 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.280 1.348 2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.353 1.082 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.665 1.668 0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.264 2.451 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.599 3.935 1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.326 4.697 -0.863 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.653 6.205 1.315 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.976 7.414 -0.388 1.00 0.00 H new ATOM 143 N THR A 10 -7.402 -0.827 2.815 1.00 0.00 N ATOM 144 CA THR A 10 -8.018 -2.125 3.075 1.00 0.00 C ATOM 145 C THR A 10 -9.433 -1.980 3.643 1.00 0.00 C ATOM 146 O THR A 10 -9.925 -0.870 3.878 1.00 0.00 O ATOM 147 CB THR A 10 -7.195 -2.919 4.107 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.958 -2.081 5.243 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.878 -3.415 3.527 1.00 0.00 C ATOM 0 H THR A 10 -7.573 -0.132 3.541 1.00 0.00 H new ATOM 0 HA THR A 10 -8.054 -2.645 2.118 1.00 0.00 H new ATOM 0 HB THR A 10 -7.761 -3.803 4.401 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.900 -2.633 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.331 -3.969 4.289 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.078 -4.067 2.677 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.281 -2.564 3.199 1.00 0.00 H new ATOM 157 N THR A 11 -10.075 -3.104 3.850 1.00 0.00 N ATOM 158 CA THR A 11 -11.363 -3.202 4.480 1.00 0.00 C ATOM 159 C THR A 11 -11.331 -4.543 5.206 1.00 0.00 C ATOM 160 O THR A 11 -10.510 -5.399 4.832 1.00 0.00 O ATOM 161 CB THR A 11 -12.500 -3.200 3.415 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.228 -2.176 2.437 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.828 -2.864 4.066 1.00 0.00 C ATOM 0 H THR A 11 -9.697 -4.010 3.572 1.00 0.00 H new ATOM 0 HA THR A 11 -11.557 -2.364 5.149 1.00 0.00 H new ATOM 0 HB THR A 11 -12.545 -4.187 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.939 -2.170 1.763 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.614 -2.866 3.311 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.057 -3.607 4.830 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.769 -1.877 4.525 1.00 0.00 H new ATOM 171 N SER A 12 -12.129 -4.724 6.234 1.00 0.00 N ATOM 172 CA SER A 12 -12.165 -5.979 6.948 1.00 0.00 C ATOM 173 C SER A 12 -12.784 -7.038 6.056 1.00 0.00 C ATOM 174 O SER A 12 -12.259 -8.151 5.931 1.00 0.00 O ATOM 175 CB SER A 12 -12.960 -5.819 8.235 1.00 0.00 C ATOM 176 OG SER A 12 -12.460 -4.716 8.984 1.00 0.00 O ATOM 0 H SER A 12 -12.765 -4.013 6.595 1.00 0.00 H new ATOM 0 HA SER A 12 -11.153 -6.287 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.014 -5.664 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.894 -6.731 8.828 1.00 0.00 H new ATOM 0 HG SER A 12 -12.979 -4.619 9.810 1.00 0.00 H new ATOM 182 N TRP A 13 -13.886 -6.683 5.407 1.00 0.00 N ATOM 183 CA TRP A 13 -14.503 -7.569 4.465 1.00 0.00 C ATOM 184 C TRP A 13 -13.885 -7.376 3.093 1.00 0.00 C ATOM 185 O TRP A 13 -14.181 -6.430 2.372 1.00 0.00 O ATOM 186 CB TRP A 13 -16.048 -7.486 4.470 1.00 0.00 C ATOM 187 CG TRP A 13 -16.645 -6.154 4.182 1.00 0.00 C ATOM 188 CD1 TRP A 13 -17.017 -5.696 2.966 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.977 -5.125 5.120 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.528 -4.451 3.067 1.00 0.00 N ATOM 191 CE2 TRP A 13 -17.525 -4.065 4.380 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.855 -4.990 6.506 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.957 -2.885 4.974 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.287 -3.818 7.097 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.829 -2.780 6.331 1.00 0.00 C ATOM 0 H TRP A 13 -14.360 -5.787 5.525 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.297 -8.593 4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.430 -8.196 3.736 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.404 -7.815 5.447 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.919 -6.249 2.043 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.864 -3.886 2.287 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.432 -5.785 7.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -18.377 -2.082 4.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.205 -3.701 8.168 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -18.154 -1.875 6.823 1.00 0.00 H new ATOM 206 N CYS A 14 -12.943 -8.214 2.799 1.00 0.00 N ATOM 207 CA CYS A 14 -12.212 -8.150 1.577 1.00 0.00 C ATOM 208 C CYS A 14 -11.501 -9.472 1.375 1.00 0.00 C ATOM 209 O CYS A 14 -11.230 -10.185 2.356 1.00 0.00 O ATOM 210 CB CYS A 14 -11.216 -6.980 1.653 1.00 0.00 C ATOM 211 SG CYS A 14 -10.057 -6.845 0.274 1.00 0.00 S ATOM 0 H CYS A 14 -12.656 -8.976 3.414 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.874 -7.978 0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.781 -6.050 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.644 -7.074 2.576 1.00 0.00 H new ATOM 216 N GLY A 15 -11.258 -9.835 0.140 1.00 0.00 N ATOM 217 CA GLY A 15 -10.554 -11.049 -0.127 1.00 0.00 C ATOM 218 C GLY A 15 -9.276 -10.811 -0.887 1.00 0.00 C ATOM 219 O GLY A 15 -8.195 -11.157 -0.421 1.00 0.00 O ATOM 0 H GLY A 15 -11.538 -9.307 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.327 -11.550 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.195 -11.720 -0.699 1.00 0.00 H new ATOM 223 N TYR A 16 -9.385 -10.160 -2.033 1.00 0.00 N ATOM 224 CA TYR A 16 -8.245 -9.976 -2.932 1.00 0.00 C ATOM 225 C TYR A 16 -7.162 -9.046 -2.387 1.00 0.00 C ATOM 226 O TYR A 16 -6.045 -9.051 -2.877 1.00 0.00 O ATOM 227 CB TYR A 16 -8.678 -9.591 -4.364 1.00 0.00 C ATOM 228 CG TYR A 16 -9.221 -8.186 -4.569 1.00 0.00 C ATOM 229 CD1 TYR A 16 -10.372 -7.733 -3.927 1.00 0.00 C ATOM 230 CD2 TYR A 16 -8.577 -7.319 -5.430 1.00 0.00 C ATOM 231 CE1 TYR A 16 -10.853 -6.457 -4.144 1.00 0.00 C ATOM 232 CE2 TYR A 16 -9.053 -6.053 -5.652 1.00 0.00 C ATOM 233 CZ TYR A 16 -10.186 -5.623 -5.013 1.00 0.00 C ATOM 234 OH TYR A 16 -10.653 -4.346 -5.250 1.00 0.00 O ATOM 0 H TYR A 16 -10.254 -9.746 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.775 -10.958 -2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.820 -9.722 -5.023 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.440 -10.299 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.896 -8.390 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.681 -7.645 -5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.744 -6.117 -3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.534 -5.393 -6.332 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.466 -4.192 -4.724 1.00 0.00 H new ATOM 244 N CYS A 17 -7.475 -8.265 -1.374 1.00 0.00 N ATOM 245 CA CYS A 17 -6.471 -7.397 -0.768 1.00 0.00 C ATOM 246 C CYS A 17 -5.572 -8.209 0.160 1.00 0.00 C ATOM 247 O CYS A 17 -4.402 -7.872 0.375 1.00 0.00 O ATOM 248 CB CYS A 17 -7.131 -6.275 0.025 1.00 0.00 C ATOM 249 SG CYS A 17 -8.299 -6.867 1.254 1.00 0.00 S ATOM 0 H CYS A 17 -8.402 -8.209 -0.953 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.874 -6.958 -1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.359 -5.687 0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.647 -5.607 -0.664 1.00 0.00 H new ATOM 254 N LEU A 18 -6.116 -9.328 0.656 1.00 0.00 N ATOM 255 CA LEU A 18 -5.437 -10.168 1.621 1.00 0.00 C ATOM 256 C LEU A 18 -4.243 -10.869 0.989 1.00 0.00 C ATOM 257 O LEU A 18 -3.310 -11.268 1.680 1.00 0.00 O ATOM 258 CB LEU A 18 -6.415 -11.179 2.198 1.00 0.00 C ATOM 259 CG LEU A 18 -5.920 -11.994 3.391 1.00 0.00 C ATOM 260 CD1 LEU A 18 -5.515 -11.079 4.544 1.00 0.00 C ATOM 261 CD2 LEU A 18 -7.005 -12.915 3.837 1.00 0.00 C ATOM 0 H LEU A 18 -7.041 -9.667 0.392 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.060 -9.540 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.319 -10.648 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.699 -11.871 1.405 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.045 -12.568 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.166 -11.682 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.715 -10.414 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.374 -10.486 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.658 -13.500 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.879 -12.333 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.271 -13.586 3.020 1.00 0.00 H new ATOM 273 N ARG A 19 -4.280 -10.978 -0.333 1.00 0.00 N ATOM 274 CA ARG A 19 -3.217 -11.591 -1.118 1.00 0.00 C ATOM 275 C ARG A 19 -1.916 -10.816 -0.894 1.00 0.00 C ATOM 276 O ARG A 19 -0.941 -11.356 -0.376 1.00 0.00 O ATOM 277 CB ARG A 19 -3.648 -11.587 -2.614 1.00 0.00 C ATOM 278 CG ARG A 19 -2.762 -12.357 -3.616 1.00 0.00 C ATOM 279 CD ARG A 19 -1.430 -11.679 -3.911 1.00 0.00 C ATOM 280 NE ARG A 19 -1.595 -10.335 -4.493 1.00 0.00 N ATOM 281 CZ ARG A 19 -0.585 -9.500 -4.772 1.00 0.00 C ATOM 282 NH1 ARG A 19 0.671 -9.865 -4.523 1.00 0.00 N ATOM 283 NH2 ARG A 19 -0.831 -8.310 -5.303 1.00 0.00 N ATOM 0 H ARG A 19 -5.059 -10.639 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.043 -12.623 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.656 -11.996 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.705 -10.550 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.571 -13.356 -3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.310 -12.481 -4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.853 -11.603 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.855 -12.300 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.543 -10.019 -4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.865 -10.781 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.439 -9.228 -4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.791 -8.028 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.060 -7.677 -5.514 1.00 0.00 H new ATOM 297 N LEU A 20 -1.937 -9.546 -1.246 1.00 0.00 N ATOM 298 CA LEU A 20 -0.780 -8.680 -1.099 1.00 0.00 C ATOM 299 C LEU A 20 -0.452 -8.473 0.376 1.00 0.00 C ATOM 300 O LEU A 20 0.710 -8.526 0.780 1.00 0.00 O ATOM 301 CB LEU A 20 -1.071 -7.334 -1.752 1.00 0.00 C ATOM 302 CG LEU A 20 -0.030 -6.218 -1.605 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.148 -6.359 -2.575 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.703 -4.860 -1.707 1.00 0.00 C ATOM 0 H LEU A 20 -2.755 -9.084 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 20 0.076 -9.149 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.226 -7.507 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.014 -6.965 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 20 0.411 -6.310 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.848 -5.538 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.655 -7.307 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.780 -6.332 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.045 -4.074 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.191 -4.768 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.446 -4.762 -0.916 1.00 0.00 H new ATOM 316 N LYS A 21 -1.494 -8.263 1.157 1.00 0.00 N ATOM 317 CA LYS A 21 -1.390 -8.003 2.584 1.00 0.00 C ATOM 318 C LYS A 21 -0.597 -9.102 3.325 1.00 0.00 C ATOM 319 O LYS A 21 0.327 -8.802 4.091 1.00 0.00 O ATOM 320 CB LYS A 21 -2.801 -7.821 3.154 1.00 0.00 C ATOM 321 CG LYS A 21 -2.885 -7.666 4.648 1.00 0.00 C ATOM 322 CD LYS A 21 -4.310 -7.385 5.094 1.00 0.00 C ATOM 323 CE LYS A 21 -4.452 -7.503 6.609 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.558 -6.588 7.355 1.00 0.00 N ATOM 0 H LYS A 21 -2.454 -8.268 0.814 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.821 -7.086 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.250 -6.943 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.405 -8.680 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.523 -8.574 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.234 -6.853 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.602 -6.384 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.990 -8.084 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.485 -7.296 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.241 -8.530 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.691 -6.729 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.569 -6.788 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.786 -5.603 7.109 1.00 0.00 H new ATOM 338 N THR A 22 -0.911 -10.355 3.059 1.00 0.00 N ATOM 339 CA THR A 22 -0.215 -11.447 3.717 1.00 0.00 C ATOM 340 C THR A 22 1.227 -11.586 3.211 1.00 0.00 C ATOM 341 O THR A 22 2.143 -11.894 3.994 1.00 0.00 O ATOM 342 CB THR A 22 -0.980 -12.777 3.590 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.375 -12.996 2.224 1.00 0.00 O ATOM 344 CG2 THR A 22 -2.206 -12.778 4.488 1.00 0.00 C ATOM 0 H THR A 22 -1.635 -10.642 2.400 1.00 0.00 H new ATOM 0 HA THR A 22 -0.170 -11.199 4.777 1.00 0.00 H new ATOM 0 HB THR A 22 -0.317 -13.584 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.249 -12.582 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.733 -13.727 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.897 -12.647 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.868 -11.962 4.200 1.00 0.00 H new ATOM 352 N ALA A 23 1.422 -11.306 1.924 1.00 0.00 N ATOM 353 CA ALA A 23 2.738 -11.344 1.281 1.00 0.00 C ATOM 354 C ALA A 23 3.664 -10.330 1.904 1.00 0.00 C ATOM 355 O ALA A 23 4.797 -10.650 2.256 1.00 0.00 O ATOM 356 CB ALA A 23 2.600 -11.086 -0.215 1.00 0.00 C ATOM 0 H ALA A 23 0.666 -11.044 1.291 1.00 0.00 H new ATOM 0 HA ALA A 23 3.166 -12.335 1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.584 -11.117 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.964 -11.852 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.153 -10.105 -0.375 1.00 0.00 H new ATOM 362 N LEU A 24 3.175 -9.121 2.078 1.00 0.00 N ATOM 363 CA LEU A 24 3.971 -8.059 2.663 1.00 0.00 C ATOM 364 C LEU A 24 4.300 -8.364 4.104 1.00 0.00 C ATOM 365 O LEU A 24 5.413 -8.117 4.554 1.00 0.00 O ATOM 366 CB LEU A 24 3.270 -6.722 2.547 1.00 0.00 C ATOM 367 CG LEU A 24 2.963 -6.261 1.128 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.308 -4.919 1.159 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.219 -6.217 0.278 1.00 0.00 C ATOM 0 H LEU A 24 2.227 -8.847 1.822 1.00 0.00 H new ATOM 0 HA LEU A 24 4.905 -7.999 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.334 -6.773 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.888 -5.965 3.030 1.00 0.00 H new ATOM 0 HG LEU A 24 2.282 -6.982 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.092 -4.596 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.379 -4.981 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.975 -4.199 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.966 -5.884 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.934 -5.523 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.661 -7.212 0.231 1.00 0.00 H new ATOM 381 N THR A 25 3.352 -8.945 4.806 1.00 0.00 N ATOM 382 CA THR A 25 3.565 -9.337 6.173 1.00 0.00 C ATOM 383 C THR A 25 4.641 -10.453 6.238 1.00 0.00 C ATOM 384 O THR A 25 5.510 -10.442 7.105 1.00 0.00 O ATOM 385 CB THR A 25 2.242 -9.819 6.816 1.00 0.00 C ATOM 386 OG1 THR A 25 1.229 -8.815 6.626 1.00 0.00 O ATOM 387 CG2 THR A 25 2.425 -10.044 8.304 1.00 0.00 C ATOM 0 H THR A 25 2.421 -9.156 4.445 1.00 0.00 H new ATOM 0 HA THR A 25 3.918 -8.473 6.736 1.00 0.00 H new ATOM 0 HB THR A 25 1.947 -10.756 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.853 -8.896 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.485 -10.383 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.193 -10.800 8.466 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.729 -9.111 8.778 1.00 0.00 H new ATOM 395 N ALA A 26 4.609 -11.370 5.267 1.00 0.00 N ATOM 396 CA ALA A 26 5.585 -12.458 5.190 1.00 0.00 C ATOM 397 C ALA A 26 6.948 -11.938 4.772 1.00 0.00 C ATOM 398 O ALA A 26 7.975 -12.513 5.091 1.00 0.00 O ATOM 399 CB ALA A 26 5.123 -13.527 4.223 1.00 0.00 C ATOM 0 H ALA A 26 3.914 -11.379 4.521 1.00 0.00 H new ATOM 0 HA ALA A 26 5.670 -12.896 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.864 -14.325 4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.169 -13.934 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.003 -13.092 3.231 1.00 0.00 H new ATOM 405 N ASN A 27 6.941 -10.851 4.054 1.00 0.00 N ATOM 406 CA ASN A 27 8.160 -10.198 3.605 1.00 0.00 C ATOM 407 C ASN A 27 8.680 -9.216 4.650 1.00 0.00 C ATOM 408 O ASN A 27 9.673 -8.520 4.414 1.00 0.00 O ATOM 409 CB ASN A 27 7.942 -9.479 2.262 1.00 0.00 C ATOM 410 CG ASN A 27 8.124 -10.349 1.024 1.00 0.00 C ATOM 411 OD1 ASN A 27 8.625 -9.874 -0.007 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.699 -11.587 1.077 1.00 0.00 N ATOM 0 H ASN A 27 6.086 -10.381 3.756 1.00 0.00 H new ATOM 0 HA ASN A 27 8.911 -10.975 3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.934 -9.064 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.634 -8.639 2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.776 -12.188 0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.291 -11.950 1.939 1.00 0.00 H new ATOM 419 N ARG A 28 7.984 -9.161 5.801 1.00 0.00 N ATOM 420 CA ARG A 28 8.334 -8.303 6.951 1.00 0.00 C ATOM 421 C ARG A 28 8.286 -6.814 6.547 1.00 0.00 C ATOM 422 O ARG A 28 8.991 -5.957 7.097 1.00 0.00 O ATOM 423 CB ARG A 28 9.722 -8.682 7.501 1.00 0.00 C ATOM 424 CG ARG A 28 10.040 -8.084 8.866 1.00 0.00 C ATOM 425 CD ARG A 28 11.451 -8.405 9.293 1.00 0.00 C ATOM 426 NE ARG A 28 11.697 -9.843 9.346 1.00 0.00 N ATOM 427 CZ ARG A 28 12.798 -10.409 9.842 1.00 0.00 C ATOM 428 NH1 ARG A 28 13.752 -9.655 10.408 1.00 0.00 N ATOM 429 NH2 ARG A 28 12.937 -11.723 9.783 1.00 0.00 N ATOM 0 H ARG A 28 7.147 -9.722 5.962 1.00 0.00 H new ATOM 0 HA ARG A 28 7.601 -8.462 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.789 -9.768 7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.482 -8.359 6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.906 -7.003 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.338 -8.469 9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.153 -7.943 8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.640 -7.969 10.274 1.00 0.00 H new ATOM 0 HE ARG A 28 10.974 -10.460 8.977 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.638 -8.643 10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.592 -10.094 10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.205 -12.295 9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.776 -12.165 10.160 1.00 0.00 H new ATOM 443 N ILE A 29 7.432 -6.509 5.623 1.00 0.00 N ATOM 444 CA ILE A 29 7.286 -5.168 5.153 1.00 0.00 C ATOM 445 C ILE A 29 6.291 -4.419 6.037 1.00 0.00 C ATOM 446 O ILE A 29 5.116 -4.778 6.122 1.00 0.00 O ATOM 447 CB ILE A 29 6.873 -5.141 3.656 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.004 -5.745 2.803 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.556 -3.726 3.208 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.709 -5.828 1.317 1.00 0.00 C ATOM 0 H ILE A 29 6.815 -7.184 5.172 1.00 0.00 H new ATOM 0 HA ILE A 29 8.248 -4.660 5.219 1.00 0.00 H new ATOM 0 HB ILE A 29 5.970 -5.737 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.905 -5.149 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.222 -6.747 3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.269 -3.733 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.734 -3.331 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.436 -3.097 3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.563 -6.266 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.829 -6.450 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.523 -4.827 0.927 1.00 0.00 H new ATOM 462 N ALA A 30 6.787 -3.410 6.722 1.00 0.00 N ATOM 463 CA ALA A 30 5.985 -2.631 7.644 1.00 0.00 C ATOM 464 C ALA A 30 5.021 -1.711 6.906 1.00 0.00 C ATOM 465 O ALA A 30 5.414 -0.657 6.385 1.00 0.00 O ATOM 466 CB ALA A 30 6.880 -1.832 8.585 1.00 0.00 C ATOM 0 H ALA A 30 7.758 -3.106 6.656 1.00 0.00 H new ATOM 0 HA ALA A 30 5.388 -3.325 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.262 -1.253 9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.511 -2.515 9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.508 -1.157 8.004 1.00 0.00 H new ATOM 472 N TYR A 31 3.783 -2.128 6.828 1.00 0.00 N ATOM 473 CA TYR A 31 2.759 -1.344 6.186 1.00 0.00 C ATOM 474 C TYR A 31 1.737 -0.882 7.198 1.00 0.00 C ATOM 475 O TYR A 31 1.669 -1.412 8.322 1.00 0.00 O ATOM 476 CB TYR A 31 2.064 -2.142 5.062 1.00 0.00 C ATOM 477 CG TYR A 31 1.291 -3.376 5.520 1.00 0.00 C ATOM 478 CD1 TYR A 31 -0.048 -3.284 5.904 1.00 0.00 C ATOM 479 CD2 TYR A 31 1.895 -4.623 5.561 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.748 -4.392 6.320 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.198 -5.737 5.973 1.00 0.00 C ATOM 482 CZ TYR A 31 -0.123 -5.616 6.357 1.00 0.00 C ATOM 483 OH TYR A 31 -0.828 -6.729 6.775 1.00 0.00 O ATOM 0 H TYR A 31 3.457 -3.017 7.206 1.00 0.00 H new ATOM 0 HA TYR A 31 3.239 -0.473 5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.377 -1.477 4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.819 -2.454 4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.543 -2.325 5.874 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.929 -4.723 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.783 -4.301 6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.683 -6.702 5.996 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.237 -7.510 6.774 1.00 0.00 H new ATOM 493 N ASP A 32 0.961 0.086 6.805 1.00 0.00 N ATOM 494 CA ASP A 32 -0.131 0.601 7.603 1.00 0.00 C ATOM 495 C ASP A 32 -1.353 0.651 6.735 1.00 0.00 C ATOM 496 O ASP A 32 -1.282 1.133 5.607 1.00 0.00 O ATOM 497 CB ASP A 32 0.194 1.995 8.140 1.00 0.00 C ATOM 498 CG ASP A 32 -0.963 2.631 8.880 1.00 0.00 C ATOM 499 OD1 ASP A 32 -1.243 2.243 10.042 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.587 3.557 8.339 1.00 0.00 O ATOM 0 H ASP A 32 1.066 0.553 5.904 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.299 -0.049 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.053 1.929 8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.485 2.639 7.310 1.00 0.00 H new ATOM 505 N GLU A 33 -2.440 0.116 7.212 1.00 0.00 N ATOM 506 CA GLU A 33 -3.655 0.091 6.443 1.00 0.00 C ATOM 507 C GLU A 33 -4.607 1.211 6.877 1.00 0.00 C ATOM 508 O GLU A 33 -4.712 1.533 8.066 1.00 0.00 O ATOM 509 CB GLU A 33 -4.299 -1.285 6.490 1.00 0.00 C ATOM 510 CG GLU A 33 -4.613 -1.814 7.871 1.00 0.00 C ATOM 511 CD GLU A 33 -5.245 -3.175 7.802 1.00 0.00 C ATOM 512 OE1 GLU A 33 -6.486 -3.262 7.628 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.520 -4.188 7.915 1.00 0.00 O ATOM 0 H GLU A 33 -2.512 -0.312 8.135 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.409 0.284 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.224 -1.253 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.637 -1.993 5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.697 -1.865 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.284 -1.124 8.383 1.00 0.00 H new ATOM 520 N VAL A 34 -5.262 1.807 5.918 1.00 0.00 N ATOM 521 CA VAL A 34 -6.084 2.984 6.141 1.00 0.00 C ATOM 522 C VAL A 34 -7.459 2.654 6.765 1.00 0.00 C ATOM 523 O VAL A 34 -8.085 1.638 6.459 1.00 0.00 O ATOM 524 CB VAL A 34 -6.274 3.795 4.823 1.00 0.00 C ATOM 525 CG1 VAL A 34 -6.882 5.154 5.086 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.968 3.946 4.082 1.00 0.00 C ATOM 0 H VAL A 34 -5.245 1.493 4.948 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.543 3.595 6.863 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.965 3.229 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.999 5.689 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.857 5.031 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.229 5.723 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.132 4.516 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.250 4.471 4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.577 2.960 3.830 1.00 0.00 H new ATOM 536 N ASP A 35 -7.916 3.588 7.582 1.00 0.00 N ATOM 537 CA ASP A 35 -9.181 3.577 8.355 1.00 0.00 C ATOM 538 C ASP A 35 -10.447 3.642 7.496 1.00 0.00 C ATOM 539 O ASP A 35 -11.528 3.685 8.050 1.00 0.00 O ATOM 540 CB ASP A 35 -9.246 4.731 9.374 1.00 0.00 C ATOM 541 CG ASP A 35 -8.212 4.663 10.464 1.00 0.00 C ATOM 542 OD1 ASP A 35 -8.352 3.850 11.390 1.00 0.00 O ATOM 543 OD2 ASP A 35 -7.245 5.431 10.423 1.00 0.00 O ATOM 0 H ASP A 35 -7.385 4.444 7.746 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.162 2.613 8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.132 5.675 8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.236 4.740 9.830 1.00 0.00 H new ATOM 548 N ILE A 36 -10.303 3.718 6.165 1.00 0.00 N ATOM 549 CA ILE A 36 -11.418 4.011 5.184 1.00 0.00 C ATOM 550 C ILE A 36 -12.760 3.263 5.417 1.00 0.00 C ATOM 551 O ILE A 36 -13.798 3.704 4.932 1.00 0.00 O ATOM 552 CB ILE A 36 -11.005 3.724 3.722 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.677 2.249 3.529 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.822 4.575 3.323 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.618 1.834 2.081 1.00 0.00 C ATOM 0 H ILE A 36 -9.402 3.579 5.708 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.591 5.072 5.366 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.850 3.977 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.718 2.033 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.428 1.647 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.548 4.357 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.085 5.629 3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.978 4.354 3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.380 0.772 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.583 2.019 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.848 2.410 1.568 1.00 0.00 H new ATOM 567 N GLU A 37 -12.732 2.148 6.103 1.00 0.00 N ATOM 568 CA GLU A 37 -13.943 1.408 6.411 1.00 0.00 C ATOM 569 C GLU A 37 -14.801 2.217 7.410 1.00 0.00 C ATOM 570 O GLU A 37 -16.037 2.171 7.394 1.00 0.00 O ATOM 571 CB GLU A 37 -13.539 0.080 7.004 1.00 0.00 C ATOM 572 CG GLU A 37 -14.658 -0.860 7.331 1.00 0.00 C ATOM 573 CD GLU A 37 -14.124 -2.093 7.976 1.00 0.00 C ATOM 574 OE1 GLU A 37 -13.897 -2.081 9.198 1.00 0.00 O ATOM 575 OE2 GLU A 37 -13.874 -3.070 7.284 1.00 0.00 O ATOM 0 H GLU A 37 -11.877 1.725 6.465 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.537 1.242 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.865 -0.417 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.971 0.269 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.370 -0.372 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.200 -1.122 6.422 1.00 0.00 H new ATOM 582 N HIS A 38 -14.119 2.969 8.248 1.00 0.00 N ATOM 583 CA HIS A 38 -14.741 3.828 9.240 1.00 0.00 C ATOM 584 C HIS A 38 -14.683 5.278 8.759 1.00 0.00 C ATOM 585 O HIS A 38 -15.665 6.013 8.832 1.00 0.00 O ATOM 586 CB HIS A 38 -13.993 3.748 10.595 1.00 0.00 C ATOM 587 CG HIS A 38 -13.952 2.401 11.268 1.00 0.00 C ATOM 588 ND1 HIS A 38 -14.615 2.108 12.445 1.00 0.00 N ATOM 589 CD2 HIS A 38 -13.246 1.285 10.957 1.00 0.00 C ATOM 590 CE1 HIS A 38 -14.294 0.864 12.804 1.00 0.00 C ATOM 591 NE2 HIS A 38 -13.468 0.316 11.933 1.00 0.00 N ATOM 0 H HIS A 38 -13.100 3.003 8.261 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.771 3.497 9.374 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.967 4.081 10.437 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.456 4.457 11.281 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.612 1.167 10.090 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.662 0.370 13.691 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -13.073 -0.624 11.967 1.00 0.00 H new ATOM 599 N ASN A 39 -13.519 5.670 8.279 1.00 0.00 N ATOM 600 CA ASN A 39 -13.250 7.050 7.870 1.00 0.00 C ATOM 601 C ASN A 39 -13.651 7.300 6.435 1.00 0.00 C ATOM 602 O ASN A 39 -13.031 6.756 5.515 1.00 0.00 O ATOM 603 CB ASN A 39 -11.756 7.349 7.996 1.00 0.00 C ATOM 604 CG ASN A 39 -11.388 8.762 7.554 1.00 0.00 C ATOM 605 OD1 ASN A 39 -12.141 9.711 7.752 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.288 8.885 6.862 1.00 0.00 N ATOM 0 H ASN A 39 -12.724 5.043 8.158 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.837 7.696 8.523 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.450 7.208 9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.196 6.630 7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.032 9.790 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.684 8.076 6.716 1.00 0.00 H new ATOM 613 N ARG A 40 -14.634 8.160 6.232 1.00 0.00 N ATOM 614 CA ARG A 40 -15.062 8.487 4.882 1.00 0.00 C ATOM 615 C ARG A 40 -14.031 9.367 4.176 1.00 0.00 C ATOM 616 O ARG A 40 -13.863 9.271 2.969 1.00 0.00 O ATOM 617 CB ARG A 40 -16.440 9.185 4.834 1.00 0.00 C ATOM 618 CG ARG A 40 -16.485 10.575 5.467 1.00 0.00 C ATOM 619 CD ARG A 40 -17.802 11.287 5.190 1.00 0.00 C ATOM 620 NE ARG A 40 -18.018 11.543 3.750 1.00 0.00 N ATOM 621 CZ ARG A 40 -19.173 11.942 3.196 1.00 0.00 C ATOM 622 NH1 ARG A 40 -20.241 12.175 3.953 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.256 12.117 1.875 1.00 0.00 N ATOM 0 H ARG A 40 -15.145 8.639 6.973 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.154 7.533 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.753 9.267 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.169 8.550 5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.340 10.488 6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.661 11.175 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.625 10.685 5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.820 12.234 5.730 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.223 11.405 3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.186 12.051 4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.115 12.478 3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.441 11.947 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.135 12.420 1.455 1.00 0.00 H new ATOM 637 N ALA A 41 -13.298 10.179 4.946 1.00 0.00 N ATOM 638 CA ALA A 41 -12.384 11.150 4.362 1.00 0.00 C ATOM 639 C ALA A 41 -11.293 10.528 3.510 1.00 0.00 C ATOM 640 O ALA A 41 -10.991 11.026 2.422 1.00 0.00 O ATOM 641 CB ALA A 41 -11.866 12.159 5.386 1.00 0.00 C ATOM 0 H ALA A 41 -13.323 10.179 5.966 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.980 11.727 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.189 12.859 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.706 12.706 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.333 11.633 6.178 1.00 0.00 H new ATOM 647 N ALA A 42 -10.738 9.435 3.959 1.00 0.00 N ATOM 648 CA ALA A 42 -9.734 8.750 3.169 1.00 0.00 C ATOM 649 C ALA A 42 -10.388 7.767 2.204 1.00 0.00 C ATOM 650 O ALA A 42 -9.809 7.403 1.187 1.00 0.00 O ATOM 651 CB ALA A 42 -8.724 8.058 4.054 1.00 0.00 C ATOM 0 H ALA A 42 -10.956 8.999 4.855 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.199 9.495 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.983 7.553 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.227 8.795 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.232 7.326 4.682 1.00 0.00 H new ATOM 657 N ALA A 43 -11.613 7.360 2.518 1.00 0.00 N ATOM 658 CA ALA A 43 -12.349 6.397 1.699 1.00 0.00 C ATOM 659 C ALA A 43 -12.706 6.999 0.364 1.00 0.00 C ATOM 660 O ALA A 43 -12.607 6.349 -0.679 1.00 0.00 O ATOM 661 CB ALA A 43 -13.595 5.932 2.426 1.00 0.00 C ATOM 0 H ALA A 43 -12.123 7.684 3.340 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.709 5.533 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.133 5.216 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.312 5.457 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.237 6.788 2.631 1.00 0.00 H new ATOM 667 N GLU A 44 -13.078 8.249 0.400 1.00 0.00 N ATOM 668 CA GLU A 44 -13.430 8.979 -0.790 1.00 0.00 C ATOM 669 C GLU A 44 -12.170 9.346 -1.582 1.00 0.00 C ATOM 670 O GLU A 44 -12.213 9.563 -2.796 1.00 0.00 O ATOM 671 CB GLU A 44 -14.253 10.197 -0.408 1.00 0.00 C ATOM 672 CG GLU A 44 -15.537 9.816 0.319 1.00 0.00 C ATOM 673 CD GLU A 44 -16.347 10.993 0.777 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.101 11.509 1.866 1.00 0.00 O ATOM 675 OE2 GLU A 44 -17.279 11.417 0.060 1.00 0.00 O ATOM 0 H GLU A 44 -13.146 8.794 1.259 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.041 8.357 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.657 10.852 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.500 10.763 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.148 9.201 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.285 9.202 1.184 1.00 0.00 H new ATOM 682 N PHE A 45 -11.035 9.357 -0.897 1.00 0.00 N ATOM 683 CA PHE A 45 -9.770 9.607 -1.550 1.00 0.00 C ATOM 684 C PHE A 45 -9.413 8.419 -2.448 1.00 0.00 C ATOM 685 O PHE A 45 -8.812 8.595 -3.512 1.00 0.00 O ATOM 686 CB PHE A 45 -8.645 9.891 -0.541 1.00 0.00 C ATOM 687 CG PHE A 45 -7.312 10.129 -1.197 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.055 11.321 -1.842 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.327 9.151 -1.185 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.848 11.541 -2.467 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.114 9.368 -1.808 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.875 10.563 -2.451 1.00 0.00 C ATOM 0 H PHE A 45 -10.970 9.195 0.108 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.875 10.503 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.911 10.764 0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.560 9.049 0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.811 12.092 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.511 8.212 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.663 12.479 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.353 8.602 -1.791 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.928 10.734 -2.941 1.00 0.00 H new ATOM 702 N VAL A 46 -9.832 7.217 -2.034 1.00 0.00 N ATOM 703 CA VAL A 46 -9.616 6.000 -2.826 1.00 0.00 C ATOM 704 C VAL A 46 -10.289 6.166 -4.185 1.00 0.00 C ATOM 705 O VAL A 46 -9.708 5.850 -5.232 1.00 0.00 O ATOM 706 CB VAL A 46 -10.198 4.735 -2.129 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.895 3.471 -2.933 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.664 4.599 -0.719 1.00 0.00 C ATOM 0 H VAL A 46 -10.323 7.061 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.540 5.860 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.280 4.857 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.314 2.605 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.339 3.556 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.816 3.350 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.086 3.708 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.578 4.513 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.943 5.478 -0.138 1.00 0.00 H new ATOM 718 N GLY A 47 -11.498 6.716 -4.159 1.00 0.00 N ATOM 719 CA GLY A 47 -12.233 6.962 -5.375 1.00 0.00 C ATOM 720 C GLY A 47 -11.569 8.031 -6.213 1.00 0.00 C ATOM 721 O GLY A 47 -11.561 7.955 -7.435 1.00 0.00 O ATOM 0 H GLY A 47 -11.982 6.996 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.307 6.039 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.251 7.268 -5.132 1.00 0.00 H new ATOM 725 N SER A 48 -10.991 9.002 -5.554 1.00 0.00 N ATOM 726 CA SER A 48 -10.306 10.082 -6.212 1.00 0.00 C ATOM 727 C SER A 48 -9.034 9.563 -6.938 1.00 0.00 C ATOM 728 O SER A 48 -8.853 9.797 -8.141 1.00 0.00 O ATOM 729 CB SER A 48 -9.961 11.178 -5.168 1.00 0.00 C ATOM 730 OG SER A 48 -9.377 12.342 -5.756 1.00 0.00 O ATOM 0 H SER A 48 -10.983 9.065 -4.536 1.00 0.00 H new ATOM 0 HA SER A 48 -10.954 10.517 -6.973 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.868 11.463 -4.634 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.273 10.766 -4.430 1.00 0.00 H new ATOM 0 HG SER A 48 -9.182 12.999 -5.056 1.00 0.00 H new ATOM 736 N VAL A 49 -8.205 8.803 -6.228 1.00 0.00 N ATOM 737 CA VAL A 49 -6.925 8.347 -6.764 1.00 0.00 C ATOM 738 C VAL A 49 -7.074 7.168 -7.768 1.00 0.00 C ATOM 739 O VAL A 49 -6.254 7.008 -8.677 1.00 0.00 O ATOM 740 CB VAL A 49 -5.899 8.015 -5.621 1.00 0.00 C ATOM 741 CG1 VAL A 49 -6.293 6.786 -4.806 1.00 0.00 C ATOM 742 CG2 VAL A 49 -4.474 7.905 -6.149 1.00 0.00 C ATOM 0 H VAL A 49 -8.397 8.489 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.519 9.182 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.930 8.861 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.546 6.608 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.264 6.954 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.350 5.917 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.798 7.675 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.422 7.111 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.181 8.851 -6.605 1.00 0.00 H new ATOM 752 N ASN A 50 -8.114 6.360 -7.618 1.00 0.00 N ATOM 753 CA ASN A 50 -8.335 5.241 -8.557 1.00 0.00 C ATOM 754 C ASN A 50 -9.361 5.582 -9.630 1.00 0.00 C ATOM 755 O ASN A 50 -9.698 4.746 -10.474 1.00 0.00 O ATOM 756 CB ASN A 50 -8.696 3.930 -7.843 1.00 0.00 C ATOM 757 CG ASN A 50 -7.515 3.233 -7.176 1.00 0.00 C ATOM 758 OD1 ASN A 50 -6.359 3.323 -7.637 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.786 2.518 -6.107 1.00 0.00 N ATOM 0 H ASN A 50 -8.810 6.444 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.379 5.080 -9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.454 4.138 -7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.145 3.248 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.040 2.015 -5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.743 2.466 -5.757 1.00 0.00 H new ATOM 766 N GLY A 51 -9.861 6.805 -9.592 1.00 0.00 N ATOM 767 CA GLY A 51 -10.757 7.286 -10.631 1.00 0.00 C ATOM 768 C GLY A 51 -12.132 6.649 -10.616 1.00 0.00 C ATOM 769 O GLY A 51 -12.529 5.992 -11.582 1.00 0.00 O ATOM 0 H GLY A 51 -9.663 7.482 -8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.869 8.365 -10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.297 7.106 -11.603 1.00 0.00 H new ATOM 773 N GLY A 52 -12.840 6.812 -9.526 1.00 0.00 N ATOM 774 CA GLY A 52 -14.197 6.320 -9.418 1.00 0.00 C ATOM 775 C GLY A 52 -14.260 4.896 -8.927 1.00 0.00 C ATOM 776 O GLY A 52 -15.031 4.574 -8.030 1.00 0.00 O ATOM 0 H GLY A 52 -12.497 7.287 -8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.759 6.960 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.682 6.386 -10.392 1.00 0.00 H new ATOM 780 N ASN A 53 -13.443 4.053 -9.500 1.00 0.00 N ATOM 781 CA ASN A 53 -13.416 2.644 -9.157 1.00 0.00 C ATOM 782 C ASN A 53 -12.679 2.462 -7.849 1.00 0.00 C ATOM 783 O ASN A 53 -11.536 2.876 -7.722 1.00 0.00 O ATOM 784 CB ASN A 53 -12.710 1.818 -10.258 1.00 0.00 C ATOM 785 CG ASN A 53 -13.310 2.002 -11.648 1.00 0.00 C ATOM 786 OD1 ASN A 53 -14.274 1.320 -12.025 1.00 0.00 O ATOM 787 ND2 ASN A 53 -12.731 2.880 -12.438 1.00 0.00 N ATOM 0 H ASN A 53 -12.772 4.319 -10.221 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.443 2.292 -9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.656 2.096 -10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.754 0.762 -9.991 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.074 3.014 -13.389 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.939 3.427 -12.099 1.00 0.00 H new ATOM 794 N ARG A 54 -13.317 1.880 -6.866 1.00 0.00 N ATOM 795 CA ARG A 54 -12.647 1.664 -5.606 1.00 0.00 C ATOM 796 C ARG A 54 -12.016 0.298 -5.524 1.00 0.00 C ATOM 797 O ARG A 54 -12.602 -0.661 -5.003 1.00 0.00 O ATOM 798 CB ARG A 54 -13.518 1.956 -4.381 1.00 0.00 C ATOM 799 CG ARG A 54 -13.833 3.427 -4.179 1.00 0.00 C ATOM 800 CD ARG A 54 -14.563 3.660 -2.864 1.00 0.00 C ATOM 801 NE ARG A 54 -15.884 3.013 -2.833 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.515 2.587 -1.731 1.00 0.00 C ATOM 803 NH1 ARG A 54 -15.937 2.692 -0.528 1.00 0.00 N ATOM 804 NH2 ARG A 54 -17.721 2.063 -1.838 1.00 0.00 N ATOM 0 H ARG A 54 -14.282 1.552 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.846 2.402 -5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.454 1.405 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.013 1.578 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.908 4.004 -4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.445 3.787 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.956 3.280 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.682 4.731 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.359 2.878 -3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.006 3.100 -0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.428 2.364 0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.164 1.985 -2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.210 1.735 -1.005 1.00 0.00 H new ATOM 818 N THR A 55 -10.876 0.192 -6.133 1.00 0.00 N ATOM 819 CA THR A 55 -10.058 -0.969 -6.049 1.00 0.00 C ATOM 820 C THR A 55 -9.447 -0.966 -4.648 1.00 0.00 C ATOM 821 O THR A 55 -8.890 0.060 -4.233 1.00 0.00 O ATOM 822 CB THR A 55 -8.957 -0.829 -7.092 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.538 -0.177 -8.244 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.458 -2.201 -7.505 1.00 0.00 C ATOM 0 H THR A 55 -10.482 0.931 -6.716 1.00 0.00 H new ATOM 0 HA THR A 55 -10.613 -1.891 -6.224 1.00 0.00 H new ATOM 0 HB THR A 55 -8.122 -0.257 -6.689 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.854 -0.068 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.671 -2.092 -8.251 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.062 -2.722 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.282 -2.776 -7.928 1.00 0.00 H new ATOM 832 N VAL A 56 -9.562 -2.066 -3.910 1.00 0.00 N ATOM 833 CA VAL A 56 -9.106 -2.041 -2.527 1.00 0.00 C ATOM 834 C VAL A 56 -7.645 -1.947 -2.362 1.00 0.00 C ATOM 835 O VAL A 56 -7.190 -0.914 -1.886 1.00 0.00 O ATOM 836 CB VAL A 56 -9.578 -3.179 -1.608 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.129 -2.890 -0.172 1.00 0.00 C ATOM 838 CG2 VAL A 56 -11.027 -3.288 -1.631 1.00 0.00 C ATOM 0 H VAL A 56 -9.951 -2.953 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.598 -1.122 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.144 -4.114 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.462 -3.695 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.042 -2.821 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.563 -1.948 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.341 -4.099 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.468 -2.352 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.360 -3.495 -2.648 1.00 0.00 H new ATOM 848 N PRO A 57 -6.828 -2.991 -2.756 1.00 0.00 N ATOM 849 CA PRO A 57 -5.509 -3.035 -2.288 1.00 0.00 C ATOM 850 C PRO A 57 -4.583 -2.055 -3.035 1.00 0.00 C ATOM 851 O PRO A 57 -3.842 -2.410 -3.962 1.00 0.00 O ATOM 852 CB PRO A 57 -5.086 -4.476 -2.433 1.00 0.00 C ATOM 853 CG PRO A 57 -5.819 -4.941 -3.645 1.00 0.00 C ATOM 854 CD PRO A 57 -7.075 -4.092 -3.730 1.00 0.00 C ATOM 0 HA PRO A 57 -5.440 -2.709 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.007 -4.566 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.354 -5.062 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.207 -4.823 -4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.069 -5.999 -3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.230 -3.707 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.964 -4.666 -3.468 1.00 0.00 H new ATOM 862 N THR A 58 -4.725 -0.860 -2.676 1.00 0.00 N ATOM 863 CA THR A 58 -4.068 0.227 -3.235 1.00 0.00 C ATOM 864 C THR A 58 -3.027 0.705 -2.226 1.00 0.00 C ATOM 865 O THR A 58 -3.273 0.673 -1.019 1.00 0.00 O ATOM 866 CB THR A 58 -5.159 1.292 -3.523 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.135 0.721 -4.434 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.600 2.552 -4.143 1.00 0.00 C ATOM 0 H THR A 58 -5.356 -0.592 -1.921 1.00 0.00 H new ATOM 0 HA THR A 58 -3.545 -0.002 -4.164 1.00 0.00 H new ATOM 0 HB THR A 58 -5.608 1.568 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.997 0.631 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.410 3.260 -4.322 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.871 2.998 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.116 2.308 -5.089 1.00 0.00 H new ATOM 876 N VAL A 59 -1.872 1.078 -2.699 1.00 0.00 N ATOM 877 CA VAL A 59 -0.806 1.479 -1.831 1.00 0.00 C ATOM 878 C VAL A 59 -0.331 2.894 -2.156 1.00 0.00 C ATOM 879 O VAL A 59 -0.157 3.262 -3.326 1.00 0.00 O ATOM 880 CB VAL A 59 0.385 0.462 -1.865 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.967 0.319 -3.254 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.459 0.838 -0.860 1.00 0.00 C ATOM 0 H VAL A 59 -1.645 1.112 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.201 1.483 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.017 -0.510 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.790 -0.395 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.196 -0.037 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.335 1.286 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.272 0.113 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.844 1.831 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.033 0.840 0.144 1.00 0.00 H new ATOM 892 N LYS A 60 -0.194 3.672 -1.131 1.00 0.00 N ATOM 893 CA LYS A 60 0.299 5.016 -1.200 1.00 0.00 C ATOM 894 C LYS A 60 1.677 5.059 -0.553 1.00 0.00 C ATOM 895 O LYS A 60 1.837 4.680 0.622 1.00 0.00 O ATOM 896 CB LYS A 60 -0.678 5.938 -0.457 1.00 0.00 C ATOM 897 CG LYS A 60 -0.281 7.371 -0.329 1.00 0.00 C ATOM 898 CD LYS A 60 -1.401 8.107 0.357 1.00 0.00 C ATOM 899 CE LYS A 60 -1.099 9.556 0.558 1.00 0.00 C ATOM 900 NZ LYS A 60 -0.864 10.267 -0.708 1.00 0.00 N ATOM 0 H LYS A 60 -0.431 3.379 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 60 0.381 5.350 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.640 5.896 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.830 5.536 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.641 7.461 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.088 7.802 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.311 8.008 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.597 7.643 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.929 10.026 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.220 9.655 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.827 11.291 -0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.039 9.955 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.637 10.059 -1.372 1.00 0.00 H new ATOM 914 N PHE A 61 2.663 5.452 -1.315 1.00 0.00 N ATOM 915 CA PHE A 61 4.008 5.564 -0.818 1.00 0.00 C ATOM 916 C PHE A 61 4.303 6.996 -0.373 1.00 0.00 C ATOM 917 O PHE A 61 3.514 7.901 -0.621 1.00 0.00 O ATOM 918 CB PHE A 61 5.022 5.061 -1.850 1.00 0.00 C ATOM 919 CG PHE A 61 4.948 3.569 -2.088 1.00 0.00 C ATOM 920 CD1 PHE A 61 5.548 2.694 -1.197 1.00 0.00 C ATOM 921 CD2 PHE A 61 4.291 3.043 -3.197 1.00 0.00 C ATOM 922 CE1 PHE A 61 5.501 1.336 -1.396 1.00 0.00 C ATOM 923 CE2 PHE A 61 4.238 1.670 -3.402 1.00 0.00 C ATOM 924 CZ PHE A 61 4.845 0.820 -2.498 1.00 0.00 C ATOM 0 H PHE A 61 2.556 5.703 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 61 4.105 4.924 0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.857 5.581 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.027 5.319 -1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.061 3.086 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.818 3.708 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.977 0.671 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.725 1.269 -4.264 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.807 -0.248 -2.652 1.00 0.00 H new ATOM 934 N ALA A 62 5.439 7.197 0.254 1.00 0.00 N ATOM 935 CA ALA A 62 5.789 8.482 0.862 1.00 0.00 C ATOM 936 C ALA A 62 6.131 9.571 -0.158 1.00 0.00 C ATOM 937 O ALA A 62 5.981 10.763 0.123 1.00 0.00 O ATOM 938 CB ALA A 62 6.946 8.296 1.822 1.00 0.00 C ATOM 0 H ALA A 62 6.155 6.479 0.363 1.00 0.00 H new ATOM 0 HA ALA A 62 4.901 8.825 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.203 9.255 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.660 7.593 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.808 7.906 1.281 1.00 0.00 H new ATOM 944 N ASP A 63 6.545 9.173 -1.332 1.00 0.00 N ATOM 945 CA ASP A 63 7.024 10.121 -2.345 1.00 0.00 C ATOM 946 C ASP A 63 5.885 10.606 -3.233 1.00 0.00 C ATOM 947 O ASP A 63 6.075 11.483 -4.077 1.00 0.00 O ATOM 948 CB ASP A 63 8.091 9.463 -3.224 1.00 0.00 C ATOM 949 CG ASP A 63 7.509 8.436 -4.169 1.00 0.00 C ATOM 950 OD1 ASP A 63 6.551 7.731 -3.791 1.00 0.00 O ATOM 951 OD2 ASP A 63 8.011 8.301 -5.297 1.00 0.00 O ATOM 0 H ASP A 63 6.566 8.197 -1.626 1.00 0.00 H new ATOM 0 HA ASP A 63 7.449 10.975 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.607 10.231 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.837 8.986 -2.589 1.00 0.00 H new ATOM 956 N GLY A 64 4.725 10.014 -3.067 1.00 0.00 N ATOM 957 CA GLY A 64 3.591 10.397 -3.863 1.00 0.00 C ATOM 958 C GLY A 64 3.207 9.331 -4.863 1.00 0.00 C ATOM 959 O GLY A 64 2.194 9.463 -5.562 1.00 0.00 O ATOM 0 H GLY A 64 4.546 9.271 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.743 10.601 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.817 11.323 -4.391 1.00 0.00 H new ATOM 963 N SER A 65 3.999 8.283 -4.957 1.00 0.00 N ATOM 964 CA SER A 65 3.685 7.205 -5.861 1.00 0.00 C ATOM 965 C SER A 65 2.564 6.345 -5.285 1.00 0.00 C ATOM 966 O SER A 65 2.627 5.896 -4.126 1.00 0.00 O ATOM 967 CB SER A 65 4.926 6.355 -6.138 1.00 0.00 C ATOM 968 OG SER A 65 5.980 7.146 -6.686 1.00 0.00 O ATOM 0 H SER A 65 4.858 8.158 -4.421 1.00 0.00 H new ATOM 0 HA SER A 65 3.347 7.631 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.263 5.886 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.673 5.552 -6.830 1.00 0.00 H new ATOM 0 HG SER A 65 6.652 7.320 -5.994 1.00 0.00 H new ATOM 974 N THR A 66 1.527 6.165 -6.052 1.00 0.00 N ATOM 975 CA THR A 66 0.447 5.320 -5.665 1.00 0.00 C ATOM 976 C THR A 66 0.353 4.170 -6.651 1.00 0.00 C ATOM 977 O THR A 66 0.514 4.358 -7.869 1.00 0.00 O ATOM 978 CB THR A 66 -0.893 6.108 -5.605 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.056 6.909 -6.793 1.00 0.00 O ATOM 980 CG2 THR A 66 -0.952 7.003 -4.375 1.00 0.00 C ATOM 0 H THR A 66 1.412 6.604 -6.965 1.00 0.00 H new ATOM 0 HA THR A 66 0.635 4.932 -4.664 1.00 0.00 H new ATOM 0 HB THR A 66 -1.703 5.381 -5.543 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.816 7.516 -6.676 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.900 7.540 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.868 6.392 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.130 7.718 -4.406 1.00 0.00 H new ATOM 988 N LEU A 67 0.124 3.000 -6.145 1.00 0.00 N ATOM 989 CA LEU A 67 0.043 1.805 -6.949 1.00 0.00 C ATOM 990 C LEU A 67 -1.193 1.043 -6.590 1.00 0.00 C ATOM 991 O LEU A 67 -1.612 1.045 -5.432 1.00 0.00 O ATOM 992 CB LEU A 67 1.281 0.902 -6.762 1.00 0.00 C ATOM 993 CG LEU A 67 2.547 1.205 -7.590 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.189 2.558 -7.296 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.541 0.078 -7.462 1.00 0.00 C ATOM 0 H LEU A 67 -0.015 2.837 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 67 0.007 2.108 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.559 0.935 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.980 -0.122 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 67 2.217 1.278 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.072 2.686 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.475 3.353 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.480 2.602 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.429 0.307 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.822 -0.042 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.092 -0.846 -7.826 1.00 0.00 H new ATOM 1007 N THR A 68 -1.770 0.403 -7.546 1.00 0.00 N ATOM 1008 CA THR A 68 -2.963 -0.341 -7.320 1.00 0.00 C ATOM 1009 C THR A 68 -2.692 -1.827 -7.573 1.00 0.00 C ATOM 1010 O THR A 68 -2.402 -2.219 -8.699 1.00 0.00 O ATOM 1011 CB THR A 68 -4.066 0.155 -8.266 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.096 1.600 -8.249 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.414 -0.374 -7.826 1.00 0.00 C ATOM 0 H THR A 68 -1.430 0.379 -8.507 1.00 0.00 H new ATOM 0 HA THR A 68 -3.288 -0.204 -6.289 1.00 0.00 H new ATOM 0 HB THR A 68 -3.854 -0.204 -9.273 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.987 1.906 -7.979 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.186 -0.014 -8.506 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.399 -1.464 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.629 -0.026 -6.816 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.745 -2.615 -6.511 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.540 -4.085 -6.538 1.00 0.00 C ATOM 1023 C ASN A 69 -1.290 -4.530 -7.347 1.00 0.00 C ATOM 1024 O ASN A 69 -1.408 -5.038 -8.476 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.808 -4.804 -7.031 1.00 0.00 C ATOM 1026 CG ASN A 69 -3.751 -6.312 -6.886 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -3.113 -6.849 -5.974 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -4.424 -7.002 -7.757 1.00 0.00 N ATOM 0 H ASN A 69 -2.936 -2.257 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.342 -4.381 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.667 -4.427 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.971 -4.555 -8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.437 -8.020 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.939 -6.525 -8.497 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.080 -4.265 -6.822 1.00 0.00 N ATOM 1036 CA PRO A 70 1.163 -4.673 -7.453 1.00 0.00 C ATOM 1037 C PRO A 70 1.745 -5.949 -6.810 1.00 0.00 C ATOM 1038 O PRO A 70 1.120 -6.566 -5.933 1.00 0.00 O ATOM 1039 CB PRO A 70 2.061 -3.475 -7.146 1.00 0.00 C ATOM 1040 CG PRO A 70 1.605 -2.994 -5.794 1.00 0.00 C ATOM 1041 CD PRO A 70 0.188 -3.496 -5.597 1.00 0.00 C ATOM 0 HA PRO A 70 1.053 -4.912 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.113 -3.762 -7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.954 -2.696 -7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.260 -3.372 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.639 -1.906 -5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.103 -4.119 -4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.516 -2.673 -5.478 1.00 0.00 H new ATOM 1049 N SER A 71 2.909 -6.348 -7.246 1.00 0.00 N ATOM 1050 CA SER A 71 3.583 -7.475 -6.666 1.00 0.00 C ATOM 1051 C SER A 71 4.318 -7.025 -5.408 1.00 0.00 C ATOM 1052 O SER A 71 4.699 -5.854 -5.279 1.00 0.00 O ATOM 1053 CB SER A 71 4.578 -8.075 -7.664 1.00 0.00 C ATOM 1054 OG SER A 71 5.195 -9.265 -7.173 1.00 0.00 O ATOM 0 H SER A 71 3.415 -5.902 -8.011 1.00 0.00 H new ATOM 0 HA SER A 71 2.849 -8.239 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.062 -8.296 -8.598 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.348 -7.338 -7.892 1.00 0.00 H new ATOM 0 HG SER A 71 5.819 -9.611 -7.845 1.00 0.00 H new ATOM 1060 N ALA A 72 4.523 -7.957 -4.506 1.00 0.00 N ATOM 1061 CA ALA A 72 5.222 -7.729 -3.261 1.00 0.00 C ATOM 1062 C ALA A 72 6.666 -7.339 -3.540 1.00 0.00 C ATOM 1063 O ALA A 72 7.244 -6.509 -2.841 1.00 0.00 O ATOM 1064 CB ALA A 72 5.181 -8.995 -2.449 1.00 0.00 C ATOM 0 H ALA A 72 4.201 -8.918 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 72 4.744 -6.919 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.705 -8.839 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.144 -9.265 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.664 -9.799 -3.004 1.00 0.00 H new ATOM 1070 N ASP A 73 7.223 -7.927 -4.597 1.00 0.00 N ATOM 1071 CA ASP A 73 8.590 -7.634 -5.019 1.00 0.00 C ATOM 1072 C ASP A 73 8.700 -6.186 -5.435 1.00 0.00 C ATOM 1073 O ASP A 73 9.637 -5.478 -5.044 1.00 0.00 O ATOM 1074 CB ASP A 73 9.010 -8.534 -6.171 1.00 0.00 C ATOM 1075 CG ASP A 73 10.392 -8.196 -6.665 1.00 0.00 C ATOM 1076 OD1 ASP A 73 11.361 -8.487 -5.961 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.516 -7.606 -7.756 1.00 0.00 O ATOM 0 H ASP A 73 6.744 -8.614 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 73 9.255 -7.822 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.983 -9.575 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.297 -8.435 -6.989 1.00 0.00 H new ATOM 1082 N GLU A 74 7.705 -5.745 -6.196 1.00 0.00 N ATOM 1083 CA GLU A 74 7.614 -4.372 -6.629 1.00 0.00 C ATOM 1084 C GLU A 74 7.587 -3.452 -5.446 1.00 0.00 C ATOM 1085 O GLU A 74 8.335 -2.487 -5.397 1.00 0.00 O ATOM 1086 CB GLU A 74 6.379 -4.142 -7.490 1.00 0.00 C ATOM 1087 CG GLU A 74 6.498 -4.699 -8.890 1.00 0.00 C ATOM 1088 CD GLU A 74 7.588 -3.996 -9.660 1.00 0.00 C ATOM 1089 OE1 GLU A 74 7.407 -2.805 -10.027 1.00 0.00 O ATOM 1090 OE2 GLU A 74 8.649 -4.593 -9.889 1.00 0.00 O ATOM 0 H GLU A 74 6.942 -6.337 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 74 8.496 -4.157 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.517 -4.596 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.184 -3.071 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.711 -5.767 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.548 -4.586 -9.412 1.00 0.00 H new ATOM 1097 N VAL A 75 6.752 -3.788 -4.481 1.00 0.00 N ATOM 1098 CA VAL A 75 6.598 -3.004 -3.278 1.00 0.00 C ATOM 1099 C VAL A 75 7.926 -2.848 -2.537 1.00 0.00 C ATOM 1100 O VAL A 75 8.270 -1.753 -2.140 1.00 0.00 O ATOM 1101 CB VAL A 75 5.516 -3.599 -2.336 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.425 -2.821 -1.032 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.166 -3.599 -3.030 1.00 0.00 C ATOM 0 H VAL A 75 6.160 -4.618 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 75 6.263 -2.014 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 75 5.805 -4.623 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.658 -3.264 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.386 -2.856 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.165 -1.784 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.413 -4.018 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.891 -2.577 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.223 -4.202 -3.936 1.00 0.00 H new ATOM 1113 N LYS A 76 8.688 -3.926 -2.412 1.00 0.00 N ATOM 1114 CA LYS A 76 9.964 -3.876 -1.694 1.00 0.00 C ATOM 1115 C LYS A 76 10.978 -2.928 -2.365 1.00 0.00 C ATOM 1116 O LYS A 76 11.607 -2.105 -1.692 1.00 0.00 O ATOM 1117 CB LYS A 76 10.564 -5.277 -1.502 1.00 0.00 C ATOM 1118 CG LYS A 76 11.908 -5.272 -0.776 1.00 0.00 C ATOM 1119 CD LYS A 76 12.432 -6.673 -0.542 1.00 0.00 C ATOM 1120 CE LYS A 76 13.830 -6.651 0.067 1.00 0.00 C ATOM 1121 NZ LYS A 76 13.898 -5.958 1.380 1.00 0.00 N ATOM 0 H LYS A 76 8.451 -4.842 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 76 9.745 -3.468 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.860 -5.891 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.689 -5.746 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.634 -4.707 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.801 -4.760 0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.754 -7.211 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.454 -7.217 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.180 -7.676 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.512 -6.161 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.856 -6.054 1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.676 -4.950 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.210 -6.384 2.033 1.00 0.00 H new ATOM 1135 N ALA A 77 11.108 -3.009 -3.675 1.00 0.00 N ATOM 1136 CA ALA A 77 12.067 -2.163 -4.384 1.00 0.00 C ATOM 1137 C ALA A 77 11.581 -0.720 -4.476 1.00 0.00 C ATOM 1138 O ALA A 77 12.372 0.207 -4.673 1.00 0.00 O ATOM 1139 CB ALA A 77 12.370 -2.714 -5.750 1.00 0.00 C ATOM 0 H ALA A 77 10.572 -3.641 -4.270 1.00 0.00 H new ATOM 0 HA ALA A 77 12.991 -2.164 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.086 -2.064 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.793 -3.714 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.451 -2.764 -6.334 1.00 0.00 H new ATOM 1145 N LYS A 78 10.291 -0.520 -4.348 1.00 0.00 N ATOM 1146 CA LYS A 78 9.768 0.826 -4.307 1.00 0.00 C ATOM 1147 C LYS A 78 9.921 1.365 -2.897 1.00 0.00 C ATOM 1148 O LYS A 78 10.195 2.532 -2.703 1.00 0.00 O ATOM 1149 CB LYS A 78 8.303 0.883 -4.735 1.00 0.00 C ATOM 1150 CG LYS A 78 8.021 0.356 -6.135 1.00 0.00 C ATOM 1151 CD LYS A 78 8.687 1.159 -7.244 1.00 0.00 C ATOM 1152 CE LYS A 78 8.329 0.576 -8.617 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.861 -0.801 -8.805 1.00 0.00 N ATOM 0 H LYS A 78 9.592 -1.259 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 78 10.331 1.438 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.709 0.312 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.963 1.917 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.357 -0.679 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.944 0.351 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.368 2.200 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.769 1.150 -7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.245 0.563 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.724 1.225 -9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.557 -0.802 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.318 -1.119 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.080 -1.446 -9.042 1.00 0.00 H new ATOM 1167 N LEU A 79 9.779 0.483 -1.924 1.00 0.00 N ATOM 1168 CA LEU A 79 9.910 0.826 -0.517 1.00 0.00 C ATOM 1169 C LEU A 79 11.269 1.434 -0.246 1.00 0.00 C ATOM 1170 O LEU A 79 11.366 2.510 0.348 1.00 0.00 O ATOM 1171 CB LEU A 79 9.717 -0.417 0.369 1.00 0.00 C ATOM 1172 CG LEU A 79 9.896 -0.231 1.886 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.919 0.776 2.479 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.811 -1.564 2.602 1.00 0.00 C ATOM 0 H LEU A 79 9.567 -0.501 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 79 9.136 1.554 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.714 -0.806 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.419 -1.182 0.037 1.00 0.00 H new ATOM 0 HG LEU A 79 10.892 0.184 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.094 0.864 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.066 1.747 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.898 0.438 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.940 -1.410 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.837 -2.016 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.595 -2.226 2.233 1.00 0.00 H new ATOM 1186 N VAL A 80 12.303 0.766 -0.729 1.00 0.00 N ATOM 1187 CA VAL A 80 13.671 1.199 -0.502 1.00 0.00 C ATOM 1188 C VAL A 80 13.948 2.598 -1.075 1.00 0.00 C ATOM 1189 O VAL A 80 14.728 3.368 -0.509 1.00 0.00 O ATOM 1190 CB VAL A 80 14.723 0.168 -1.020 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.542 -1.177 -0.344 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.682 0.018 -2.533 1.00 0.00 C ATOM 0 H VAL A 80 12.219 -0.085 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 80 13.781 1.260 0.581 1.00 0.00 H new ATOM 0 HB VAL A 80 15.707 0.558 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.287 -1.877 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.665 -1.062 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.544 -1.559 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.431 -0.709 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.693 -0.325 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.892 0.980 -3.000 1.00 0.00 H new ATOM 1202 N LYS A 81 13.306 2.930 -2.186 1.00 0.00 N ATOM 1203 CA LYS A 81 13.512 4.225 -2.790 1.00 0.00 C ATOM 1204 C LYS A 81 12.668 5.302 -2.107 1.00 0.00 C ATOM 1205 O LYS A 81 13.137 6.413 -1.895 1.00 0.00 O ATOM 1206 CB LYS A 81 13.281 4.216 -4.319 1.00 0.00 C ATOM 1207 CG LYS A 81 11.848 3.961 -4.762 1.00 0.00 C ATOM 1208 CD LYS A 81 11.712 3.862 -6.275 1.00 0.00 C ATOM 1209 CE LYS A 81 12.094 5.155 -6.991 1.00 0.00 C ATOM 1210 NZ LYS A 81 11.178 6.273 -6.685 1.00 0.00 N ATOM 0 H LYS A 81 12.648 2.325 -2.677 1.00 0.00 H new ATOM 0 HA LYS A 81 14.562 4.472 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.603 5.176 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.921 3.453 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.490 3.037 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.210 4.765 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.342 3.051 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.683 3.604 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.109 5.435 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.100 4.981 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.445 7.105 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.203 5.996 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.241 6.506 -5.673 1.00 0.00 H new ATOM 1224 N ILE A 82 11.437 4.955 -1.734 1.00 0.00 N ATOM 1225 CA ILE A 82 10.520 5.936 -1.170 1.00 0.00 C ATOM 1226 C ILE A 82 10.814 6.249 0.283 1.00 0.00 C ATOM 1227 O ILE A 82 10.583 7.373 0.732 1.00 0.00 O ATOM 1228 CB ILE A 82 9.007 5.571 -1.399 1.00 0.00 C ATOM 1229 CG1 ILE A 82 8.570 4.267 -0.703 1.00 0.00 C ATOM 1230 CG2 ILE A 82 8.722 5.468 -2.873 1.00 0.00 C ATOM 1231 CD1 ILE A 82 8.188 4.402 0.756 1.00 0.00 C ATOM 0 H ILE A 82 11.057 4.012 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 82 10.701 6.854 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 82 8.429 6.377 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.720 3.853 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.382 3.544 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.673 5.215 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.938 6.423 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.349 4.692 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.897 3.427 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.039 4.781 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.352 5.095 0.851 1.00 0.00 H new ATOM 1243 N ALA A 83 11.309 5.262 1.014 1.00 0.00 N ATOM 1244 CA ALA A 83 11.651 5.460 2.403 1.00 0.00 C ATOM 1245 C ALA A 83 12.923 6.257 2.476 1.00 0.00 C ATOM 1246 O ALA A 83 13.058 7.157 3.297 1.00 0.00 O ATOM 1247 CB ALA A 83 11.806 4.128 3.126 1.00 0.00 C ATOM 0 H ALA A 83 11.480 4.319 0.664 1.00 0.00 H new ATOM 0 HA ALA A 83 10.847 6.004 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.064 4.308 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.868 3.575 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.597 3.547 2.652 1.00 0.00 H new