USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 17 ASN : amide:sc= 0.303 K(o=0.93,f=0.11) USER MOD Set 1.2: A 20 ASN : amide:sc= 0.624 K(o=0.93,f=0.11) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= 1.29 (180deg=1.06) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.457 K(o=-0.46,f=-3.3!) USER MOD Single : A 28 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.24) USER MOD Single : A 30 THR OG1 : rot -48:sc= 0.335 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0116) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -0.275 F(o=-1.9,f=-0.28) USER MOD Single : A 38 GLN : amide:sc= -0.098 X(o=-0.098,f=-0.098) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.14 K(o=1.1,f=-0.019) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N VAL A 4 5.548 -16.021 0.550 1.00 0.00 N ATOM 65 CA VAL A 4 4.770 -14.825 0.450 1.00 0.00 C ATOM 66 C VAL A 4 3.366 -15.155 0.080 1.00 0.00 C ATOM 67 O VAL A 4 3.101 -16.288 -0.322 1.00 0.00 O ATOM 68 CB VAL A 4 5.391 -13.846 -0.503 1.00 0.00 C ATOM 69 CG1 VAL A 4 6.868 -13.645 -0.127 1.00 0.00 C ATOM 70 CG2 VAL A 4 5.292 -14.310 -1.966 1.00 0.00 C ATOM 0 HA VAL A 4 4.752 -14.339 1.425 1.00 0.00 H new ATOM 0 HB VAL A 4 4.841 -12.908 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.325 -12.935 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.935 -13.259 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.392 -14.599 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.756 -13.567 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.806 -15.264 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.244 -14.428 -2.240 1.00 0.00 H new ATOM 80 N ILE A 5 2.381 -14.248 0.198 1.00 0.00 N ATOM 81 CA ILE A 5 1.027 -14.635 -0.050 1.00 0.00 C ATOM 82 C ILE A 5 0.686 -14.497 -1.494 1.00 0.00 C ATOM 83 O ILE A 5 0.438 -15.489 -2.179 1.00 0.00 O ATOM 84 CB ILE A 5 0.021 -13.956 0.832 1.00 0.00 C ATOM 85 CG1 ILE A 5 0.387 -14.172 2.310 1.00 0.00 C ATOM 86 CG2 ILE A 5 -1.372 -14.556 0.570 1.00 0.00 C ATOM 87 CD1 ILE A 5 1.140 -12.997 2.932 1.00 0.00 C ATOM 0 H ILE A 5 2.515 -13.271 0.458 1.00 0.00 H new ATOM 0 HA ILE A 5 0.966 -15.690 0.219 1.00 0.00 H new ATOM 0 HB ILE A 5 0.017 -12.889 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.525 -14.350 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.998 -15.071 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.106 -14.065 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.642 -14.405 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.356 -15.623 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.365 -13.220 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.070 -12.832 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.523 -12.100 2.878 1.00 0.00 H new ATOM 99 N ALA A 6 0.674 -13.268 -2.042 1.00 0.00 N ATOM 100 CA ALA A 6 0.172 -13.096 -3.370 1.00 0.00 C ATOM 101 C ALA A 6 0.547 -11.812 -4.029 1.00 0.00 C ATOM 102 O ALA A 6 0.817 -10.809 -3.371 1.00 0.00 O ATOM 103 CB ALA A 6 -1.363 -13.139 -3.278 1.00 0.00 C ATOM 0 H ALA A 6 1.001 -12.418 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 6 0.611 -13.888 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.791 -13.011 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.676 -14.100 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.711 -12.337 -2.627 1.00 0.00 H new ATOM 109 N THR A 7 0.433 -11.779 -5.369 1.00 0.00 N ATOM 110 CA THR A 7 0.579 -10.612 -6.184 1.00 0.00 C ATOM 111 C THR A 7 -0.737 -10.222 -6.766 1.00 0.00 C ATOM 112 O THR A 7 -1.581 -11.058 -7.082 1.00 0.00 O ATOM 113 CB THR A 7 1.539 -10.826 -7.316 1.00 0.00 C ATOM 114 OG1 THR A 7 1.178 -11.904 -8.166 1.00 0.00 O ATOM 115 CG2 THR A 7 2.917 -11.198 -6.744 1.00 0.00 C ATOM 0 H THR A 7 0.227 -12.616 -5.915 1.00 0.00 H new ATOM 0 HA THR A 7 0.967 -9.827 -5.535 1.00 0.00 H new ATOM 0 HB THR A 7 1.537 -9.898 -7.887 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.840 -11.991 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.620 -11.355 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.276 -10.390 -6.107 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.833 -12.113 -6.157 1.00 0.00 H new ATOM 123 N LYS A 8 -0.989 -8.906 -6.876 1.00 0.00 N ATOM 124 CA LYS A 8 -2.232 -8.289 -7.223 1.00 0.00 C ATOM 125 C LYS A 8 -3.364 -8.564 -6.295 1.00 0.00 C ATOM 126 O LYS A 8 -4.298 -9.310 -6.588 1.00 0.00 O ATOM 127 CB LYS A 8 -2.590 -8.461 -8.709 1.00 0.00 C ATOM 128 CG LYS A 8 -1.471 -7.916 -9.599 1.00 0.00 C ATOM 129 CD LYS A 8 -1.789 -7.900 -11.096 1.00 0.00 C ATOM 130 CE LYS A 8 -0.674 -7.200 -11.876 1.00 0.00 C ATOM 131 NZ LYS A 8 -0.962 -7.135 -13.327 1.00 0.00 N ATOM 0 H LYS A 8 -0.258 -8.215 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.051 -7.224 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.756 -9.516 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.522 -7.939 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.236 -6.900 -9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.575 -8.515 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.908 -8.921 -11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.736 -7.388 -11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.541 -6.190 -11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.266 -7.729 -11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.180 -6.653 -13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.064 -8.099 -13.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.845 -6.607 -13.482 1.00 0.00 H new ATOM 145 N VAL A 9 -3.296 -7.932 -5.110 1.00 0.00 N ATOM 146 CA VAL A 9 -4.110 -8.091 -3.945 1.00 0.00 C ATOM 147 C VAL A 9 -4.633 -6.746 -3.575 1.00 0.00 C ATOM 148 O VAL A 9 -4.068 -5.732 -3.980 1.00 0.00 O ATOM 149 CB VAL A 9 -3.264 -8.563 -2.800 1.00 0.00 C ATOM 150 CG1 VAL A 9 -4.099 -8.960 -1.570 1.00 0.00 C ATOM 151 CG2 VAL A 9 -2.444 -9.794 -3.221 1.00 0.00 C ATOM 0 H VAL A 9 -2.580 -7.222 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.909 -8.805 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.619 -7.726 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.436 -9.294 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.674 -8.100 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.780 -9.768 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.833 -10.129 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.119 -10.596 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.798 -9.532 -4.059 1.00 0.00 H new ATOM 161 N LEU A 10 -5.730 -6.645 -2.802 1.00 0.00 N ATOM 162 CA LEU A 10 -6.175 -5.403 -2.249 1.00 0.00 C ATOM 163 C LEU A 10 -6.388 -5.501 -0.777 1.00 0.00 C ATOM 164 O LEU A 10 -6.343 -6.561 -0.156 1.00 0.00 O ATOM 165 CB LEU A 10 -7.449 -4.878 -2.931 1.00 0.00 C ATOM 166 CG LEU A 10 -7.223 -4.544 -4.415 1.00 0.00 C ATOM 167 CD1 LEU A 10 -7.595 -5.721 -5.331 1.00 0.00 C ATOM 168 CD2 LEU A 10 -7.981 -3.267 -4.817 1.00 0.00 C ATOM 0 H LEU A 10 -6.319 -7.441 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.376 -4.686 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.238 -5.625 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.796 -3.986 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.157 -4.359 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.420 -5.443 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.982 -6.586 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.647 -5.970 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.803 -3.055 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.049 -3.410 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.629 -2.430 -4.214 1.00 0.00 H new ATOM 180 N GLY A 11 -6.615 -4.340 -0.137 1.00 0.00 N ATOM 181 CA GLY A 11 -6.867 -4.213 1.265 1.00 0.00 C ATOM 182 C GLY A 11 -7.310 -2.813 1.521 1.00 0.00 C ATOM 183 O GLY A 11 -7.511 -2.070 0.561 1.00 0.00 O ATOM 0 H GLY A 11 -6.623 -3.443 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.633 -4.921 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.968 -4.440 1.837 1.00 0.00 H new ATOM 187 N THR A 12 -7.413 -2.404 2.798 1.00 0.00 N ATOM 188 CA THR A 12 -8.097 -1.195 3.134 1.00 0.00 C ATOM 189 C THR A 12 -7.145 -0.229 3.750 1.00 0.00 C ATOM 190 O THR A 12 -6.403 -0.528 4.685 1.00 0.00 O ATOM 191 CB THR A 12 -9.219 -1.410 4.105 1.00 0.00 C ATOM 192 OG1 THR A 12 -10.192 -2.260 3.517 1.00 0.00 O ATOM 193 CG2 THR A 12 -9.963 -0.099 4.413 1.00 0.00 C ATOM 0 H THR A 12 -7.024 -2.908 3.595 1.00 0.00 H new ATOM 0 HA THR A 12 -8.513 -0.811 2.203 1.00 0.00 H new ATOM 0 HB THR A 12 -8.777 -1.827 5.010 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.926 -2.404 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.769 -0.295 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.268 0.621 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.380 0.308 3.492 1.00 0.00 H new ATOM 201 N VAL A 13 -7.129 0.996 3.194 1.00 0.00 N ATOM 202 CA VAL A 13 -6.298 2.099 3.565 1.00 0.00 C ATOM 203 C VAL A 13 -6.985 2.951 4.577 1.00 0.00 C ATOM 204 O VAL A 13 -8.207 3.087 4.574 1.00 0.00 O ATOM 205 CB VAL A 13 -5.952 2.941 2.374 1.00 0.00 C ATOM 206 CG1 VAL A 13 -4.850 3.968 2.686 1.00 0.00 C ATOM 207 CG2 VAL A 13 -5.463 2.043 1.225 1.00 0.00 C ATOM 0 H VAL A 13 -7.750 1.232 2.420 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.381 1.690 3.989 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.857 3.479 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.635 4.553 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.186 4.632 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.947 3.447 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.213 2.660 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.579 1.492 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.250 1.340 0.952 1.00 0.00 H new ATOM 217 N LYS A 14 -6.240 3.576 5.506 1.00 0.00 N ATOM 218 CA LYS A 14 -6.689 4.651 6.337 1.00 0.00 C ATOM 219 C LYS A 14 -6.101 5.935 5.862 1.00 0.00 C ATOM 220 O LYS A 14 -6.705 6.647 5.060 1.00 0.00 O ATOM 221 CB LYS A 14 -6.415 4.357 7.821 1.00 0.00 C ATOM 222 CG LYS A 14 -7.103 5.335 8.776 1.00 0.00 C ATOM 223 CD LYS A 14 -6.859 5.018 10.253 1.00 0.00 C ATOM 224 CE LYS A 14 -7.484 3.730 10.793 1.00 0.00 C ATOM 225 NZ LYS A 14 -8.963 3.778 10.768 1.00 0.00 N ATOM 0 H LYS A 14 -5.270 3.317 5.687 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.772 4.750 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.747 3.344 8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.340 4.387 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.750 6.345 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.176 5.326 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.783 4.968 10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.233 5.852 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.139 2.883 10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.144 3.563 11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.342 3.197 11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.280 4.761 10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.307 3.409 9.859 1.00 0.00 H new ATOM 239 N TRP A 15 -4.890 6.294 6.323 1.00 0.00 N ATOM 240 CA TRP A 15 -4.230 7.503 5.941 1.00 0.00 C ATOM 241 C TRP A 15 -2.763 7.310 6.113 1.00 0.00 C ATOM 242 O TRP A 15 -2.324 6.677 7.072 1.00 0.00 O ATOM 243 CB TRP A 15 -4.726 8.691 6.782 1.00 0.00 C ATOM 244 CG TRP A 15 -4.441 10.066 6.225 1.00 0.00 C ATOM 245 CD1 TRP A 15 -3.317 10.832 6.350 1.00 0.00 C ATOM 246 CD2 TRP A 15 -5.379 10.845 5.461 1.00 0.00 C ATOM 247 NE1 TRP A 15 -3.476 12.016 5.680 1.00 0.00 N ATOM 248 CE2 TRP A 15 -4.741 12.049 5.140 1.00 0.00 C ATOM 249 CE3 TRP A 15 -6.666 10.596 5.066 1.00 0.00 C ATOM 250 CZ2 TRP A 15 -5.393 13.009 4.414 1.00 0.00 C ATOM 251 CZ3 TRP A 15 -7.309 11.574 4.344 1.00 0.00 C ATOM 252 CH2 TRP A 15 -6.688 12.758 4.026 1.00 0.00 C ATOM 0 H TRP A 15 -4.355 5.727 6.980 1.00 0.00 H new ATOM 0 HA TRP A 15 -4.455 7.730 4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.803 8.591 6.914 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -4.275 8.622 7.772 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.431 10.546 6.898 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -2.774 12.751 5.595 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -7.158 9.667 5.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.905 13.936 4.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.326 11.408 4.019 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -7.227 13.505 3.461 1.00 0.00 H new ATOM 263 N PHE A 16 -1.932 7.823 5.188 1.00 0.00 N ATOM 264 CA PHE A 16 -0.515 7.627 5.193 1.00 0.00 C ATOM 265 C PHE A 16 0.242 8.760 5.795 1.00 0.00 C ATOM 266 O PHE A 16 -0.202 9.907 5.816 1.00 0.00 O ATOM 267 CB PHE A 16 0.026 7.435 3.766 1.00 0.00 C ATOM 268 CG PHE A 16 -0.500 6.224 3.076 1.00 0.00 C ATOM 269 CD1 PHE A 16 -0.589 5.003 3.701 1.00 0.00 C ATOM 270 CD2 PHE A 16 -0.810 6.311 1.738 1.00 0.00 C ATOM 271 CE1 PHE A 16 -0.962 3.880 3.001 1.00 0.00 C ATOM 272 CE2 PHE A 16 -1.190 5.195 1.032 1.00 0.00 C ATOM 273 CZ PHE A 16 -1.263 3.975 1.661 1.00 0.00 C ATOM 0 H PHE A 16 -2.258 8.395 4.409 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.364 6.735 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.222 8.315 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.114 7.374 3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.363 4.925 4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.754 7.266 1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.019 2.925 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.431 5.276 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.555 3.095 1.107 1.00 0.00 H new ATOM 283 N ASN A 17 1.461 8.490 6.295 1.00 0.00 N ATOM 284 CA ASN A 17 2.343 9.495 6.804 1.00 0.00 C ATOM 285 C ASN A 17 3.288 9.903 5.727 1.00 0.00 C ATOM 286 O ASN A 17 4.360 9.325 5.551 1.00 0.00 O ATOM 287 CB ASN A 17 3.099 8.983 8.041 1.00 0.00 C ATOM 288 CG ASN A 17 4.031 10.050 8.598 1.00 0.00 C ATOM 289 OD1 ASN A 17 3.691 11.214 8.794 1.00 0.00 O ATOM 290 ND2 ASN A 17 5.332 9.689 8.767 1.00 0.00 N ATOM 0 H ASN A 17 1.844 7.546 6.347 1.00 0.00 H new ATOM 0 HA ASN A 17 1.762 10.363 7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.385 8.684 8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.674 8.096 7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.021 10.384 9.055 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.618 8.724 8.605 1.00 0.00 H new ATOM 297 N VAL A 18 2.957 10.964 4.969 1.00 0.00 N ATOM 298 CA VAL A 18 3.669 11.397 3.807 1.00 0.00 C ATOM 299 C VAL A 18 4.981 12.059 4.056 1.00 0.00 C ATOM 300 O VAL A 18 5.886 11.939 3.232 1.00 0.00 O ATOM 301 CB VAL A 18 2.837 12.314 2.961 1.00 0.00 C ATOM 302 CG1 VAL A 18 1.793 11.470 2.212 1.00 0.00 C ATOM 303 CG2 VAL A 18 2.151 13.428 3.770 1.00 0.00 C ATOM 0 H VAL A 18 2.149 11.551 5.179 1.00 0.00 H new ATOM 0 HA VAL A 18 3.883 10.461 3.291 1.00 0.00 H new ATOM 0 HB VAL A 18 3.500 12.821 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.177 12.120 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.300 10.739 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.160 10.951 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.565 14.056 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.494 12.983 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.907 14.035 4.267 1.00 0.00 H new ATOM 313 N ARG A 19 5.167 12.762 5.188 1.00 0.00 N ATOM 314 CA ARG A 19 6.375 13.436 5.554 1.00 0.00 C ATOM 315 C ARG A 19 7.549 12.520 5.582 1.00 0.00 C ATOM 316 O ARG A 19 8.486 12.618 4.790 1.00 0.00 O ATOM 317 CB ARG A 19 6.203 14.202 6.877 1.00 0.00 C ATOM 318 CG ARG A 19 7.433 14.961 7.381 1.00 0.00 C ATOM 319 CD ARG A 19 7.185 15.637 8.731 1.00 0.00 C ATOM 320 NE ARG A 19 8.476 16.230 9.185 1.00 0.00 N ATOM 321 CZ ARG A 19 8.651 16.747 10.436 1.00 0.00 C ATOM 322 NH1 ARG A 19 7.672 16.724 11.387 1.00 0.00 N ATOM 323 NH2 ARG A 19 9.840 17.314 10.798 1.00 0.00 N ATOM 0 H ARG A 19 4.432 12.866 5.888 1.00 0.00 H new ATOM 0 HA ARG A 19 6.584 14.170 4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.386 14.914 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.898 13.493 7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.271 14.270 7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.718 15.714 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.421 16.409 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.819 14.913 9.460 1.00 0.00 H new ATOM 0 HE ARG A 19 9.261 16.250 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.765 16.308 11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.848 17.123 12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.610 17.355 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.958 17.697 11.736 1.00 0.00 H new ATOM 337 N ASN A 20 7.555 11.535 6.498 1.00 0.00 N ATOM 338 CA ASN A 20 8.548 10.507 6.541 1.00 0.00 C ATOM 339 C ASN A 20 8.417 9.518 5.433 1.00 0.00 C ATOM 340 O ASN A 20 9.421 8.995 4.953 1.00 0.00 O ATOM 341 CB ASN A 20 8.556 9.717 7.862 1.00 0.00 C ATOM 342 CG ASN A 20 8.670 10.642 9.065 1.00 0.00 C ATOM 343 OD1 ASN A 20 7.696 11.258 9.496 1.00 0.00 O ATOM 344 ND2 ASN A 20 9.882 10.706 9.678 1.00 0.00 N ATOM 0 H ASN A 20 6.849 11.451 7.229 1.00 0.00 H new ATOM 0 HA ASN A 20 9.483 11.058 6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.642 9.128 7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.389 9.014 7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.000 11.275 10.516 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.673 10.185 9.300 1.00 0.00 H new ATOM 351 N GLY A 21 7.181 9.197 5.009 1.00 0.00 N ATOM 352 CA GLY A 21 6.953 8.324 3.900 1.00 0.00 C ATOM 353 C GLY A 21 6.691 6.928 4.350 1.00 0.00 C ATOM 354 O GLY A 21 7.330 5.976 3.902 1.00 0.00 O ATOM 0 H GLY A 21 6.328 9.549 5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.104 8.686 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.820 8.338 3.240 1.00 0.00 H new ATOM 358 N TYR A 22 5.741 6.754 5.285 1.00 0.00 N ATOM 359 CA TYR A 22 5.497 5.522 5.970 1.00 0.00 C ATOM 360 C TYR A 22 4.040 5.221 5.892 1.00 0.00 C ATOM 361 O TYR A 22 3.197 6.106 6.030 1.00 0.00 O ATOM 362 CB TYR A 22 5.955 5.695 7.428 1.00 0.00 C ATOM 363 CG TYR A 22 6.046 4.444 8.234 1.00 0.00 C ATOM 364 CD1 TYR A 22 4.923 3.863 8.773 1.00 0.00 C ATOM 365 CD2 TYR A 22 7.277 3.896 8.507 1.00 0.00 C ATOM 366 CE1 TYR A 22 5.019 2.722 9.536 1.00 0.00 C ATOM 367 CE2 TYR A 22 7.386 2.771 9.289 1.00 0.00 C ATOM 368 CZ TYR A 22 6.255 2.179 9.797 1.00 0.00 C ATOM 369 OH TYR A 22 6.351 1.027 10.607 1.00 0.00 O ATOM 0 H TYR A 22 5.115 7.505 5.577 1.00 0.00 H new ATOM 0 HA TYR A 22 6.045 4.693 5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.933 6.176 7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.266 6.376 7.927 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.955 4.307 8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.168 4.354 8.103 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.128 2.255 9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.359 2.353 9.504 1.00 0.00 H new ATOM 0 HH TYR A 22 7.292 0.767 10.695 1.00 0.00 H new ATOM 379 N GLY A 23 3.664 3.945 5.693 1.00 0.00 N ATOM 380 CA GLY A 23 2.286 3.563 5.714 1.00 0.00 C ATOM 381 C GLY A 23 2.138 2.081 5.660 1.00 0.00 C ATOM 382 O GLY A 23 3.043 1.372 5.223 1.00 0.00 O ATOM 0 H GLY A 23 4.314 3.178 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.813 3.946 6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.768 4.014 4.868 1.00 0.00 H new ATOM 386 N PHE A 24 0.960 1.567 6.058 1.00 0.00 N ATOM 387 CA PHE A 24 0.640 0.180 5.917 1.00 0.00 C ATOM 388 C PHE A 24 -0.796 0.037 5.545 1.00 0.00 C ATOM 389 O PHE A 24 -1.618 0.910 5.815 1.00 0.00 O ATOM 390 CB PHE A 24 1.049 -0.711 7.102 1.00 0.00 C ATOM 391 CG PHE A 24 0.458 -0.310 8.409 1.00 0.00 C ATOM 392 CD1 PHE A 24 -0.745 -0.830 8.826 1.00 0.00 C ATOM 393 CD2 PHE A 24 1.164 0.519 9.248 1.00 0.00 C ATOM 394 CE1 PHE A 24 -1.246 -0.517 10.069 1.00 0.00 C ATOM 395 CE2 PHE A 24 0.666 0.839 10.490 1.00 0.00 C ATOM 396 CZ PHE A 24 -0.542 0.324 10.898 1.00 0.00 C ATOM 0 H PHE A 24 0.218 2.123 6.484 1.00 0.00 H new ATOM 0 HA PHE A 24 1.260 -0.205 5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.757 -1.739 6.885 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.135 -0.700 7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.300 -1.488 8.174 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.115 0.921 8.931 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.190 -0.931 10.392 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.223 1.494 11.144 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.938 0.580 11.870 1.00 0.00 H new ATOM 406 N ILE A 25 -1.150 -1.110 4.937 1.00 0.00 N ATOM 407 CA ILE A 25 -2.476 -1.437 4.516 1.00 0.00 C ATOM 408 C ILE A 25 -3.006 -2.511 5.403 1.00 0.00 C ATOM 409 O ILE A 25 -2.260 -3.375 5.862 1.00 0.00 O ATOM 410 CB ILE A 25 -2.577 -1.945 3.108 1.00 0.00 C ATOM 411 CG1 ILE A 25 -1.574 -1.279 2.153 1.00 0.00 C ATOM 412 CG2 ILE A 25 -4.009 -1.762 2.577 1.00 0.00 C ATOM 413 CD1 ILE A 25 -1.819 0.208 1.898 1.00 0.00 C ATOM 0 H ILE A 25 -0.476 -1.846 4.729 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.042 -0.507 4.571 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.326 -3.005 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.570 -1.403 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.598 -1.805 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.068 -2.135 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.704 -2.317 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.271 -0.704 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.062 0.589 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.807 0.344 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.763 0.753 2.840 1.00 0.00 H new ATOM 425 N ASN A 26 -4.325 -2.525 5.668 1.00 0.00 N ATOM 426 CA ASN A 26 -4.972 -3.626 6.311 1.00 0.00 C ATOM 427 C ASN A 26 -5.501 -4.554 5.271 1.00 0.00 C ATOM 428 O ASN A 26 -6.567 -4.337 4.697 1.00 0.00 O ATOM 429 CB ASN A 26 -6.074 -3.104 7.249 1.00 0.00 C ATOM 430 CG ASN A 26 -6.547 -4.201 8.193 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.143 -5.191 7.774 1.00 0.00 O ATOM 432 ND2 ASN A 26 -6.253 -4.055 9.513 1.00 0.00 N ATOM 0 H ASN A 26 -4.953 -1.757 5.431 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.265 -4.183 6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.697 -2.260 7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.915 -2.737 6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.528 -4.776 10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.757 -3.224 9.836 1.00 0.00 H new ATOM 439 N ARG A 27 -4.721 -5.587 4.907 1.00 0.00 N ATOM 440 CA ARG A 27 -5.157 -6.614 4.013 1.00 0.00 C ATOM 441 C ARG A 27 -6.045 -7.640 4.629 1.00 0.00 C ATOM 442 O ARG A 27 -5.774 -8.178 5.701 1.00 0.00 O ATOM 443 CB ARG A 27 -3.905 -7.282 3.422 1.00 0.00 C ATOM 444 CG ARG A 27 -4.091 -7.852 2.014 1.00 0.00 C ATOM 445 CD ARG A 27 -4.803 -9.203 1.922 1.00 0.00 C ATOM 446 NE ARG A 27 -6.041 -9.062 1.106 1.00 0.00 N ATOM 447 CZ ARG A 27 -6.758 -10.146 0.689 1.00 0.00 C ATOM 448 NH1 ARG A 27 -6.563 -11.396 1.202 1.00 0.00 N ATOM 449 NH2 ARG A 27 -7.686 -10.019 -0.305 1.00 0.00 N ATOM 0 H ARG A 27 -3.765 -5.711 5.242 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.770 -6.140 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.096 -6.552 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.591 -8.087 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.651 -7.128 1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.109 -7.950 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.142 -9.944 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.053 -9.562 2.920 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.362 -8.128 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.860 -11.546 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.121 -12.179 0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.846 -9.110 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.219 -10.833 -0.612 1.00 0.00 H new ATOM 463 N ASN A 28 -7.156 -7.976 3.948 1.00 0.00 N ATOM 464 CA ASN A 28 -8.207 -8.800 4.461 1.00 0.00 C ATOM 465 C ASN A 28 -7.988 -10.272 4.375 1.00 0.00 C ATOM 466 O ASN A 28 -8.875 -11.044 4.014 1.00 0.00 O ATOM 467 CB ASN A 28 -9.570 -8.385 3.883 1.00 0.00 C ATOM 468 CG ASN A 28 -9.602 -8.313 2.363 1.00 0.00 C ATOM 469 OD1 ASN A 28 -9.864 -9.289 1.661 1.00 0.00 O ATOM 470 ND2 ASN A 28 -9.351 -7.100 1.803 1.00 0.00 N ATOM 0 H ASN A 28 -7.329 -7.658 2.995 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.200 -8.608 5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.327 -9.094 4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.844 -7.411 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.379 -6.991 0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.135 -6.299 2.397 1.00 0.00 H new ATOM 477 N ASP A 29 -6.809 -10.762 4.794 1.00 0.00 N ATOM 478 CA ASP A 29 -6.580 -12.144 5.081 1.00 0.00 C ATOM 479 C ASP A 29 -7.069 -12.454 6.455 1.00 0.00 C ATOM 480 O ASP A 29 -8.060 -13.156 6.651 1.00 0.00 O ATOM 481 CB ASP A 29 -5.088 -12.506 4.984 1.00 0.00 C ATOM 482 CG ASP A 29 -4.757 -12.996 3.580 1.00 0.00 C ATOM 483 OD1 ASP A 29 -4.523 -12.143 2.683 1.00 0.00 O ATOM 484 OD2 ASP A 29 -4.721 -14.239 3.376 1.00 0.00 O ATOM 0 H ASP A 29 -5.986 -10.177 4.938 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.122 -12.733 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.478 -11.636 5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.845 -13.279 5.714 1.00 0.00 H new ATOM 489 N THR A 30 -6.392 -11.910 7.483 1.00 0.00 N ATOM 490 CA THR A 30 -6.737 -12.138 8.852 1.00 0.00 C ATOM 491 C THR A 30 -6.328 -10.916 9.601 1.00 0.00 C ATOM 492 O THR A 30 -5.841 -10.964 10.729 1.00 0.00 O ATOM 493 CB THR A 30 -6.136 -13.404 9.388 1.00 0.00 C ATOM 494 OG1 THR A 30 -6.506 -13.684 10.730 1.00 0.00 O ATOM 495 CG2 THR A 30 -4.601 -13.435 9.305 1.00 0.00 C ATOM 0 H THR A 30 -5.586 -11.297 7.359 1.00 0.00 H new ATOM 0 HA THR A 30 -7.809 -12.297 8.966 1.00 0.00 H new ATOM 0 HB THR A 30 -6.549 -14.172 8.734 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.381 -12.881 11.278 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.234 -14.378 9.709 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.291 -13.341 8.264 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.189 -12.608 9.882 1.00 0.00 H new ATOM 503 N LYS A 31 -6.465 -9.744 8.955 1.00 0.00 N ATOM 504 CA LYS A 31 -5.803 -8.512 9.249 1.00 0.00 C ATOM 505 C LYS A 31 -4.318 -8.628 9.205 1.00 0.00 C ATOM 506 O LYS A 31 -3.665 -8.697 10.244 1.00 0.00 O ATOM 507 CB LYS A 31 -6.209 -7.861 10.583 1.00 0.00 C ATOM 508 CG LYS A 31 -7.563 -7.153 10.671 1.00 0.00 C ATOM 509 CD LYS A 31 -8.787 -8.058 10.521 1.00 0.00 C ATOM 510 CE LYS A 31 -10.103 -7.421 10.972 1.00 0.00 C ATOM 511 NZ LYS A 31 -10.183 -7.349 12.448 1.00 0.00 N ATOM 0 H LYS A 31 -7.095 -9.653 8.158 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.145 -7.857 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.191 -8.636 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.439 -7.136 10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.625 -6.642 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.603 -6.385 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.880 -8.353 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.623 -8.969 11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.189 -6.419 10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.942 -8.001 10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.125 -7.008 12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.023 -8.294 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.458 -6.694 12.803 1.00 0.00 H new ATOM 525 N GLU A 32 -3.686 -8.685 8.019 1.00 0.00 N ATOM 526 CA GLU A 32 -2.258 -8.724 7.951 1.00 0.00 C ATOM 527 C GLU A 32 -1.811 -7.357 7.561 1.00 0.00 C ATOM 528 O GLU A 32 -2.312 -6.785 6.594 1.00 0.00 O ATOM 529 CB GLU A 32 -1.764 -9.800 6.970 1.00 0.00 C ATOM 530 CG GLU A 32 -2.099 -11.213 7.454 1.00 0.00 C ATOM 531 CD GLU A 32 -1.471 -12.311 6.606 1.00 0.00 C ATOM 532 OE1 GLU A 32 -1.624 -12.292 5.357 1.00 0.00 O ATOM 533 OE2 GLU A 32 -0.830 -13.227 7.186 1.00 0.00 O ATOM 0 H GLU A 32 -4.158 -8.704 7.115 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.831 -9.001 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.217 -9.635 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.686 -9.707 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.763 -11.324 8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.181 -11.341 7.456 1.00 0.00 H new ATOM 540 N ASP A 33 -0.871 -6.753 8.309 1.00 0.00 N ATOM 541 CA ASP A 33 -0.388 -5.441 8.009 1.00 0.00 C ATOM 542 C ASP A 33 0.657 -5.506 6.949 1.00 0.00 C ATOM 543 O ASP A 33 1.670 -6.199 7.032 1.00 0.00 O ATOM 544 CB ASP A 33 0.049 -4.640 9.248 1.00 0.00 C ATOM 545 CG ASP A 33 1.020 -5.377 10.160 1.00 0.00 C ATOM 546 OD1 ASP A 33 0.548 -6.268 10.916 1.00 0.00 O ATOM 547 OD2 ASP A 33 2.229 -5.023 10.176 1.00 0.00 O ATOM 0 H ASP A 33 -0.441 -7.179 9.130 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.228 -4.869 7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.512 -3.709 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.837 -4.370 9.823 1.00 0.00 H new ATOM 552 N VAL A 34 0.408 -4.789 5.839 1.00 0.00 N ATOM 553 CA VAL A 34 1.223 -4.820 4.663 1.00 0.00 C ATOM 554 C VAL A 34 1.889 -3.495 4.517 1.00 0.00 C ATOM 555 O VAL A 34 1.245 -2.486 4.234 1.00 0.00 O ATOM 556 CB VAL A 34 0.389 -5.139 3.458 1.00 0.00 C ATOM 557 CG1 VAL A 34 1.299 -5.372 2.241 1.00 0.00 C ATOM 558 CG2 VAL A 34 -0.409 -6.428 3.719 1.00 0.00 C ATOM 0 H VAL A 34 -0.393 -4.163 5.757 1.00 0.00 H new ATOM 0 HA VAL A 34 1.980 -5.599 4.752 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.286 -4.306 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.688 -5.603 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.884 -4.473 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.972 -6.205 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.017 -6.663 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.280 -7.250 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.057 -6.286 4.584 1.00 0.00 H new ATOM 568 N PHE A 35 3.210 -3.423 4.756 1.00 0.00 N ATOM 569 CA PHE A 35 3.966 -2.209 4.751 1.00 0.00 C ATOM 570 C PHE A 35 4.252 -1.688 3.384 1.00 0.00 C ATOM 571 O PHE A 35 4.582 -2.437 2.466 1.00 0.00 O ATOM 572 CB PHE A 35 5.259 -2.445 5.549 1.00 0.00 C ATOM 573 CG PHE A 35 6.135 -1.242 5.618 1.00 0.00 C ATOM 574 CD1 PHE A 35 5.744 -0.139 6.341 1.00 0.00 C ATOM 575 CD2 PHE A 35 7.294 -1.187 4.881 1.00 0.00 C ATOM 576 CE1 PHE A 35 6.484 1.019 6.294 1.00 0.00 C ATOM 577 CE2 PHE A 35 8.032 -0.029 4.831 1.00 0.00 C ATOM 578 CZ PHE A 35 7.626 1.084 5.530 1.00 0.00 C ATOM 0 H PHE A 35 3.776 -4.246 4.962 1.00 0.00 H new ATOM 0 HA PHE A 35 3.365 -1.431 5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.002 -2.757 6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.814 -3.265 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.852 -0.183 6.948 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.627 -2.059 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.167 1.882 6.860 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.935 0.007 4.240 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.198 1.999 5.479 1.00 0.00 H new ATOM 588 N VAL A 36 4.173 -0.359 3.193 1.00 0.00 N ATOM 589 CA VAL A 36 4.364 0.265 1.920 1.00 0.00 C ATOM 590 C VAL A 36 5.371 1.352 2.075 1.00 0.00 C ATOM 591 O VAL A 36 5.245 2.246 2.911 1.00 0.00 O ATOM 592 CB VAL A 36 3.113 0.865 1.351 1.00 0.00 C ATOM 593 CG1 VAL A 36 3.341 1.284 -0.112 1.00 0.00 C ATOM 594 CG2 VAL A 36 1.972 -0.164 1.419 1.00 0.00 C ATOM 0 H VAL A 36 3.971 0.300 3.945 1.00 0.00 H new ATOM 0 HA VAL A 36 4.691 -0.513 1.231 1.00 0.00 H new ATOM 0 HB VAL A 36 2.847 1.747 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.425 1.718 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.143 2.021 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.617 0.410 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.063 0.273 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.245 -1.048 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.799 -0.447 2.457 1.00 0.00 H new ATOM 604 N HIS A 37 6.425 1.309 1.242 1.00 0.00 N ATOM 605 CA HIS A 37 7.467 2.287 1.186 1.00 0.00 C ATOM 606 C HIS A 37 7.410 3.041 -0.099 1.00 0.00 C ATOM 607 O HIS A 37 6.761 2.612 -1.051 1.00 0.00 O ATOM 608 CB HIS A 37 8.855 1.636 1.319 1.00 0.00 C ATOM 609 CG HIS A 37 9.207 0.569 0.324 1.00 0.00 C ATOM 610 ND1 HIS A 37 8.559 -0.553 -0.088 1.00 0.00 N flip ATOM 611 CD2 HIS A 37 10.455 0.511 -0.262 1.00 0.00 C flip ATOM 612 CE1 HIS A 37 9.352 -1.293 -0.940 1.00 0.00 C flip ATOM 613 NE2 HIS A 37 10.487 -0.623 -1.014 1.00 0.00 N flip ATOM 0 H HIS A 37 6.557 0.552 0.572 1.00 0.00 H new ATOM 0 HA HIS A 37 7.314 2.970 2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.606 2.423 1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.933 1.206 2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.254 1.228 -0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.100 -2.218 -1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 37 11.291 -0.919 -1.568 1.00 0.00 H new ATOM 621 N GLN A 38 8.117 4.181 -0.197 1.00 0.00 N ATOM 622 CA GLN A 38 8.129 5.040 -1.340 1.00 0.00 C ATOM 623 C GLN A 38 8.599 4.409 -2.606 1.00 0.00 C ATOM 624 O GLN A 38 8.066 4.649 -3.688 1.00 0.00 O ATOM 625 CB GLN A 38 8.952 6.307 -1.051 1.00 0.00 C ATOM 626 CG GLN A 38 8.240 7.304 -0.135 1.00 0.00 C ATOM 627 CD GLN A 38 6.979 7.876 -0.766 1.00 0.00 C ATOM 628 OE1 GLN A 38 5.849 7.635 -0.345 1.00 0.00 O ATOM 629 NE2 GLN A 38 7.159 8.683 -1.846 1.00 0.00 N ATOM 0 H GLN A 38 8.710 4.520 0.560 1.00 0.00 H new ATOM 0 HA GLN A 38 7.082 5.289 -1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.899 6.019 -0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.190 6.799 -1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.982 6.811 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.922 8.119 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.101 8.876 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.352 9.095 -2.315 1.00 0.00 H new ATOM 638 N THR A 39 9.601 3.514 -2.540 1.00 0.00 N ATOM 639 CA THR A 39 10.113 2.810 -3.675 1.00 0.00 C ATOM 640 C THR A 39 9.164 1.801 -4.224 1.00 0.00 C ATOM 641 O THR A 39 9.290 1.355 -5.363 1.00 0.00 O ATOM 642 CB THR A 39 11.460 2.205 -3.416 1.00 0.00 C ATOM 643 OG1 THR A 39 12.332 3.150 -2.815 1.00 0.00 O ATOM 644 CG2 THR A 39 12.178 1.795 -4.714 1.00 0.00 C ATOM 0 H THR A 39 10.071 3.272 -1.667 1.00 0.00 H new ATOM 0 HA THR A 39 10.237 3.570 -4.447 1.00 0.00 H new ATOM 0 HB THR A 39 11.264 1.342 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.204 2.734 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.149 1.362 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.575 1.059 -5.246 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.319 2.673 -5.345 1.00 0.00 H new ATOM 652 N ALA A 40 8.099 1.416 -3.497 1.00 0.00 N ATOM 653 CA ALA A 40 7.116 0.500 -3.986 1.00 0.00 C ATOM 654 C ALA A 40 6.165 1.072 -4.983 1.00 0.00 C ATOM 655 O ALA A 40 5.607 0.364 -5.820 1.00 0.00 O ATOM 656 CB ALA A 40 6.297 -0.074 -2.818 1.00 0.00 C ATOM 0 H ALA A 40 7.918 1.748 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 40 7.689 -0.272 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.552 -0.770 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.961 -0.598 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.796 0.738 -2.291 1.00 0.00 H new ATOM 662 N ILE A 41 5.954 2.399 -4.944 1.00 0.00 N ATOM 663 CA ILE A 41 5.017 3.120 -5.749 1.00 0.00 C ATOM 664 C ILE A 41 5.544 3.360 -7.122 1.00 0.00 C ATOM 665 O ILE A 41 6.639 3.891 -7.301 1.00 0.00 O ATOM 666 CB ILE A 41 4.667 4.423 -5.092 1.00 0.00 C ATOM 667 CG1 ILE A 41 3.988 4.180 -3.734 1.00 0.00 C ATOM 668 CG2 ILE A 41 3.759 5.275 -5.996 1.00 0.00 C ATOM 669 CD1 ILE A 41 3.901 5.441 -2.875 1.00 0.00 C ATOM 0 H ILE A 41 6.471 3.007 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 41 4.118 2.511 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 41 5.594 4.972 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.984 3.791 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.540 3.414 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.522 6.213 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.273 5.486 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.837 4.731 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.412 5.204 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.905 5.818 -2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.324 6.201 -3.402 1.00 0.00 H new ATOM 681 N LYS A 42 4.794 2.968 -8.167 1.00 0.00 N ATOM 682 CA LYS A 42 5.192 3.131 -9.532 1.00 0.00 C ATOM 683 C LYS A 42 5.107 4.546 -9.990 1.00 0.00 C ATOM 684 O LYS A 42 6.119 5.234 -10.116 1.00 0.00 O ATOM 685 CB LYS A 42 4.379 2.231 -10.477 1.00 0.00 C ATOM 686 CG LYS A 42 4.690 0.742 -10.317 1.00 0.00 C ATOM 687 CD LYS A 42 4.159 -0.086 -11.490 1.00 0.00 C ATOM 688 CE LYS A 42 4.665 -1.530 -11.477 1.00 0.00 C ATOM 689 NZ LYS A 42 4.273 -2.242 -12.714 1.00 0.00 N ATOM 0 H LYS A 42 3.882 2.524 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 42 6.238 2.828 -9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.316 2.394 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.576 2.527 -11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.768 0.604 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.250 0.378 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.069 -0.088 -11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.454 0.389 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.750 -1.538 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.262 -2.052 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.628 -3.219 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.236 -2.253 -12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.679 -1.755 -13.538 1.00 0.00 H new ATOM 904 N GLY A 54 -10.735 8.200 2.216 1.00 0.00 N ATOM 905 CA GLY A 54 -9.963 8.144 3.419 1.00 0.00 C ATOM 906 C GLY A 54 -9.943 6.759 3.970 1.00 0.00 C ATOM 907 O GLY A 54 -9.439 5.841 3.326 1.00 0.00 O ATOM 0 HA2 GLY A 54 -8.944 8.475 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.381 8.828 4.157 1.00 0.00 H new ATOM 911 N ASP A 55 -10.539 6.550 5.157 1.00 0.00 N ATOM 912 CA ASP A 55 -10.709 5.272 5.775 1.00 0.00 C ATOM 913 C ASP A 55 -11.729 4.483 5.028 1.00 0.00 C ATOM 914 O ASP A 55 -12.911 4.822 5.009 1.00 0.00 O ATOM 915 CB ASP A 55 -11.098 5.449 7.253 1.00 0.00 C ATOM 916 CG ASP A 55 -11.131 4.136 8.022 1.00 0.00 C ATOM 917 OD1 ASP A 55 -10.045 3.589 8.356 1.00 0.00 O ATOM 918 OD2 ASP A 55 -12.244 3.621 8.309 1.00 0.00 O ATOM 0 H ASP A 55 -10.922 7.313 5.715 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.769 4.721 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.389 6.125 7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.078 5.922 7.311 1.00 0.00 H new ATOM 923 N GLY A 56 -11.303 3.404 4.347 1.00 0.00 N ATOM 924 CA GLY A 56 -12.190 2.564 3.604 1.00 0.00 C ATOM 925 C GLY A 56 -11.754 2.295 2.205 1.00 0.00 C ATOM 926 O GLY A 56 -12.204 1.332 1.587 1.00 0.00 O ATOM 0 H GLY A 56 -10.327 3.110 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.296 1.614 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.176 3.027 3.582 1.00 0.00 H new ATOM 930 N GLU A 57 -10.874 3.124 1.615 1.00 0.00 N ATOM 931 CA GLU A 57 -10.523 2.955 0.239 1.00 0.00 C ATOM 932 C GLU A 57 -9.611 1.811 -0.045 1.00 0.00 C ATOM 933 O GLU A 57 -8.856 1.327 0.796 1.00 0.00 O ATOM 934 CB GLU A 57 -10.016 4.240 -0.438 1.00 0.00 C ATOM 935 CG GLU A 57 -8.587 4.638 -0.064 1.00 0.00 C ATOM 936 CD GLU A 57 -8.134 5.865 -0.844 1.00 0.00 C ATOM 937 OE1 GLU A 57 -7.909 5.754 -2.079 1.00 0.00 O ATOM 938 OE2 GLU A 57 -7.979 6.950 -0.224 1.00 0.00 O ATOM 0 H GLU A 57 -10.410 3.902 2.084 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.480 2.700 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.072 4.111 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.686 5.060 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.532 4.843 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.911 3.807 -0.264 1.00 0.00 H new ATOM 945 N THR A 58 -9.686 1.322 -1.296 1.00 0.00 N ATOM 946 CA THR A 58 -8.975 0.197 -1.818 1.00 0.00 C ATOM 947 C THR A 58 -7.939 0.635 -2.796 1.00 0.00 C ATOM 948 O THR A 58 -8.130 1.563 -3.581 1.00 0.00 O ATOM 949 CB THR A 58 -9.888 -0.761 -2.524 1.00 0.00 C ATOM 950 OG1 THR A 58 -11.009 -0.119 -3.114 1.00 0.00 O ATOM 951 CG2 THR A 58 -10.404 -1.766 -1.480 1.00 0.00 C ATOM 0 H THR A 58 -10.293 1.749 -1.996 1.00 0.00 H new ATOM 0 HA THR A 58 -8.514 -0.299 -0.964 1.00 0.00 H new ATOM 0 HB THR A 58 -9.324 -1.239 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.570 -0.786 -3.562 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.073 -2.479 -1.961 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.561 -2.299 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.944 -1.233 -0.698 1.00 0.00 H new ATOM 959 N VAL A 59 -6.786 -0.058 -2.787 1.00 0.00 N ATOM 960 CA VAL A 59 -5.674 0.160 -3.660 1.00 0.00 C ATOM 961 C VAL A 59 -5.065 -1.183 -3.877 1.00 0.00 C ATOM 962 O VAL A 59 -5.132 -2.037 -2.995 1.00 0.00 O ATOM 963 CB VAL A 59 -4.706 1.160 -3.099 1.00 0.00 C ATOM 964 CG1 VAL A 59 -4.088 0.685 -1.773 1.00 0.00 C ATOM 965 CG2 VAL A 59 -3.612 1.516 -4.120 1.00 0.00 C ATOM 0 H VAL A 59 -6.621 -0.819 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.986 0.598 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.275 2.065 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.394 1.440 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.878 0.529 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.553 -0.251 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.928 2.242 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.061 0.616 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.071 1.942 -5.012 1.00 0.00 H new ATOM 975 N GLU A 60 -4.496 -1.464 -5.064 1.00 0.00 N ATOM 976 CA GLU A 60 -3.875 -2.725 -5.330 1.00 0.00 C ATOM 977 C GLU A 60 -2.411 -2.771 -5.059 1.00 0.00 C ATOM 978 O GLU A 60 -1.662 -1.829 -5.315 1.00 0.00 O ATOM 979 CB GLU A 60 -3.986 -3.180 -6.795 1.00 0.00 C ATOM 980 CG GLU A 60 -5.408 -3.293 -7.350 1.00 0.00 C ATOM 981 CD GLU A 60 -5.408 -3.657 -8.829 1.00 0.00 C ATOM 982 OE1 GLU A 60 -4.816 -4.703 -9.205 1.00 0.00 O ATOM 983 OE2 GLU A 60 -6.020 -2.903 -9.632 1.00 0.00 O ATOM 0 H GLU A 60 -4.466 -0.810 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.430 -3.371 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.428 -2.480 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.500 -4.151 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.959 -4.048 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.930 -2.347 -7.208 1.00 0.00 H new ATOM 990 N PHE A 61 -1.967 -3.946 -4.576 1.00 0.00 N ATOM 991 CA PHE A 61 -0.588 -4.176 -4.276 1.00 0.00 C ATOM 992 C PHE A 61 -0.297 -5.638 -4.267 1.00 0.00 C ATOM 993 O PHE A 61 -1.200 -6.470 -4.333 1.00 0.00 O ATOM 994 CB PHE A 61 -0.149 -3.505 -2.963 1.00 0.00 C ATOM 995 CG PHE A 61 -1.092 -3.791 -1.846 1.00 0.00 C ATOM 996 CD1 PHE A 61 -0.922 -4.888 -1.034 1.00 0.00 C ATOM 997 CD2 PHE A 61 -2.197 -2.994 -1.657 1.00 0.00 C ATOM 998 CE1 PHE A 61 -1.845 -5.189 -0.060 1.00 0.00 C ATOM 999 CE2 PHE A 61 -3.134 -3.304 -0.701 1.00 0.00 C ATOM 1000 CZ PHE A 61 -2.952 -4.394 0.118 1.00 0.00 C ATOM 0 H PHE A 61 -2.573 -4.746 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 61 0.000 -3.709 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.848 -3.854 -2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.080 -2.427 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.055 -5.519 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.330 -2.113 -2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.699 -6.055 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.016 -2.690 -0.592 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.670 -4.622 0.892 1.00 0.00 H new ATOM 1010 N ASP A 62 0.982 -6.044 -4.190 1.00 0.00 N ATOM 1011 CA ASP A 62 1.362 -7.399 -3.931 1.00 0.00 C ATOM 1012 C ASP A 62 1.598 -7.535 -2.466 1.00 0.00 C ATOM 1013 O ASP A 62 2.161 -6.624 -1.861 1.00 0.00 O ATOM 1014 CB ASP A 62 2.626 -7.721 -4.746 1.00 0.00 C ATOM 1015 CG ASP A 62 2.480 -7.601 -6.256 1.00 0.00 C ATOM 1016 OD1 ASP A 62 1.374 -7.313 -6.787 1.00 0.00 O ATOM 1017 OD2 ASP A 62 3.523 -7.827 -6.925 1.00 0.00 O ATOM 0 H ASP A 62 1.775 -5.413 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 62 0.584 -8.103 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.426 -7.055 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.941 -8.737 -4.509 1.00 0.00 H new ATOM 1022 N VAL A 63 1.230 -8.641 -1.793 1.00 0.00 N ATOM 1023 CA VAL A 63 1.600 -8.871 -0.432 1.00 0.00 C ATOM 1024 C VAL A 63 2.828 -9.716 -0.404 1.00 0.00 C ATOM 1025 O VAL A 63 2.759 -10.915 -0.669 1.00 0.00 O ATOM 1026 CB VAL A 63 0.594 -9.615 0.396 1.00 0.00 C ATOM 1027 CG1 VAL A 63 1.055 -9.710 1.860 1.00 0.00 C ATOM 1028 CG2 VAL A 63 -0.775 -8.913 0.388 1.00 0.00 C ATOM 0 H VAL A 63 0.667 -9.387 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 63 1.717 -7.873 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 63 0.504 -10.608 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.310 -10.253 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.008 -10.237 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.174 -8.707 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.478 -9.480 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.671 -7.907 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.147 -8.854 -0.635 1.00 0.00 H new ATOM 1038 N VAL A 64 4.002 -9.148 -0.077 1.00 0.00 N ATOM 1039 CA VAL A 64 5.234 -9.856 -0.239 1.00 0.00 C ATOM 1040 C VAL A 64 5.959 -9.825 1.062 1.00 0.00 C ATOM 1041 O VAL A 64 5.956 -8.834 1.791 1.00 0.00 O ATOM 1042 CB VAL A 64 5.987 -9.414 -1.459 1.00 0.00 C ATOM 1043 CG1 VAL A 64 5.594 -10.339 -2.622 1.00 0.00 C ATOM 1044 CG2 VAL A 64 5.647 -7.966 -1.849 1.00 0.00 C ATOM 0 H VAL A 64 4.099 -8.204 0.297 1.00 0.00 H new ATOM 0 HA VAL A 64 5.069 -10.910 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 64 7.054 -9.463 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.129 -10.038 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.854 -11.368 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.520 -10.268 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.214 -7.686 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.580 -7.887 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.906 -7.298 -1.028 1.00 0.00 H new ATOM 1054 N GLU A 65 6.544 -10.960 1.485 1.00 0.00 N ATOM 1055 CA GLU A 65 7.014 -11.150 2.823 1.00 0.00 C ATOM 1056 C GLU A 65 8.475 -11.441 2.850 1.00 0.00 C ATOM 1057 O GLU A 65 9.128 -11.727 1.848 1.00 0.00 O ATOM 1058 CB GLU A 65 6.175 -12.226 3.532 1.00 0.00 C ATOM 1059 CG GLU A 65 6.215 -12.224 5.062 1.00 0.00 C ATOM 1060 CD GLU A 65 5.221 -13.196 5.683 1.00 0.00 C ATOM 1061 OE1 GLU A 65 3.984 -13.026 5.511 1.00 0.00 O ATOM 1062 OE2 GLU A 65 5.663 -14.150 6.377 1.00 0.00 O ATOM 0 H GLU A 65 6.694 -11.768 0.881 1.00 0.00 H new ATOM 0 HA GLU A 65 6.884 -10.221 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.138 -12.112 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.508 -13.203 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.221 -12.480 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.006 -11.218 5.424 1.00 0.00 H new ATOM 1069 N GLY A 66 9.064 -11.352 4.056 1.00 0.00 N ATOM 1070 CA GLY A 66 10.456 -11.571 4.298 1.00 0.00 C ATOM 1071 C GLY A 66 10.735 -11.813 5.741 1.00 0.00 C ATOM 1072 O GLY A 66 11.493 -12.713 6.100 1.00 0.00 O ATOM 0 H GLY A 66 8.545 -11.116 4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.796 -12.426 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.025 -10.706 3.958 1.00 0.00 H new ATOM 1076 N GLU A 67 10.126 -10.996 6.620 1.00 0.00 N ATOM 1077 CA GLU A 67 10.337 -11.020 8.035 1.00 0.00 C ATOM 1078 C GLU A 67 9.083 -11.214 8.815 1.00 0.00 C ATOM 1079 O GLU A 67 8.182 -11.940 8.395 1.00 0.00 O ATOM 1080 CB GLU A 67 11.086 -9.732 8.416 1.00 0.00 C ATOM 1081 CG GLU A 67 10.405 -8.430 7.988 1.00 0.00 C ATOM 1082 CD GLU A 67 11.172 -7.200 8.451 1.00 0.00 C ATOM 1083 OE1 GLU A 67 12.338 -7.307 8.915 1.00 0.00 O ATOM 1084 OE2 GLU A 67 10.603 -6.077 8.374 1.00 0.00 O ATOM 0 H GLU A 67 9.455 -10.285 6.330 1.00 0.00 H new ATOM 0 HA GLU A 67 10.940 -11.889 8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.219 -9.715 9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.081 -9.765 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.312 -8.411 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.394 -8.400 8.395 1.00 0.00 H new ATOM 1091 N LYS A 68 8.951 -10.603 10.006 1.00 0.00 N ATOM 1092 CA LYS A 68 7.862 -10.780 10.917 1.00 0.00 C ATOM 1093 C LYS A 68 6.597 -10.111 10.504 1.00 0.00 C ATOM 1094 O LYS A 68 5.507 -10.452 10.960 1.00 0.00 O ATOM 1095 CB LYS A 68 8.242 -10.288 12.324 1.00 0.00 C ATOM 1096 CG LYS A 68 9.479 -10.962 12.922 1.00 0.00 C ATOM 1097 CD LYS A 68 9.850 -10.374 14.285 1.00 0.00 C ATOM 1098 CE LYS A 68 11.061 -11.062 14.919 1.00 0.00 C ATOM 1099 NZ LYS A 68 11.400 -10.464 16.228 1.00 0.00 N ATOM 0 H LYS A 68 9.648 -9.945 10.354 1.00 0.00 H new ATOM 0 HA LYS A 68 7.671 -11.853 10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.414 -9.212 12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.397 -10.451 12.992 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.294 -12.031 13.027 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.320 -10.849 12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.060 -9.311 14.171 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.996 -10.460 14.957 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.852 -12.124 15.046 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.917 -10.984 14.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.225 -10.953 16.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.623 -9.456 16.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.591 -10.561 16.874 1.00 0.00 H new ATOM 1113 N GLY A 69 6.675 -9.128 9.589 1.00 0.00 N ATOM 1114 CA GLY A 69 5.554 -8.440 9.030 1.00 0.00 C ATOM 1115 C GLY A 69 5.813 -8.151 7.592 1.00 0.00 C ATOM 1116 O GLY A 69 6.933 -7.814 7.211 1.00 0.00 O ATOM 0 H GLY A 69 7.567 -8.797 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.654 -9.046 9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.377 -7.511 9.572 1.00 0.00 H new ATOM 1120 N ALA A 70 4.800 -8.313 6.721 1.00 0.00 N ATOM 1121 CA ALA A 70 4.956 -8.230 5.301 1.00 0.00 C ATOM 1122 C ALA A 70 4.976 -6.851 4.736 1.00 0.00 C ATOM 1123 O ALA A 70 4.602 -5.865 5.368 1.00 0.00 O ATOM 1124 CB ALA A 70 3.851 -9.054 4.618 1.00 0.00 C ATOM 0 H ALA A 70 3.843 -8.508 7.014 1.00 0.00 H new ATOM 0 HA ALA A 70 5.947 -8.634 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.967 -8.993 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.926 -10.095 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.875 -8.659 4.901 1.00 0.00 H new ATOM 1130 N GLU A 71 5.443 -6.744 3.479 1.00 0.00 N ATOM 1131 CA GLU A 71 5.590 -5.543 2.718 1.00 0.00 C ATOM 1132 C GLU A 71 4.786 -5.597 1.464 1.00 0.00 C ATOM 1133 O GLU A 71 3.994 -6.511 1.237 1.00 0.00 O ATOM 1134 CB GLU A 71 7.068 -5.280 2.383 1.00 0.00 C ATOM 1135 CG GLU A 71 7.822 -6.415 1.686 1.00 0.00 C ATOM 1136 CD GLU A 71 9.246 -6.029 1.314 1.00 0.00 C ATOM 1137 OE1 GLU A 71 9.990 -5.488 2.174 1.00 0.00 O ATOM 1138 OE2 GLU A 71 9.648 -6.246 0.139 1.00 0.00 O ATOM 0 H GLU A 71 5.742 -7.566 2.954 1.00 0.00 H new ATOM 0 HA GLU A 71 5.219 -4.722 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.122 -4.395 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.591 -5.041 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.845 -7.287 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.281 -6.706 0.785 1.00 0.00 H new ATOM 1145 N ALA A 72 5.021 -4.648 0.541 1.00 0.00 N ATOM 1146 CA ALA A 72 4.194 -4.427 -0.604 1.00 0.00 C ATOM 1147 C ALA A 72 5.098 -4.015 -1.715 1.00 0.00 C ATOM 1148 O ALA A 72 6.212 -3.528 -1.527 1.00 0.00 O ATOM 1149 CB ALA A 72 3.174 -3.296 -0.386 1.00 0.00 C ATOM 0 H ALA A 72 5.816 -4.011 0.594 1.00 0.00 H new ATOM 0 HA ALA A 72 3.638 -5.340 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.572 -3.170 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.525 -3.548 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.702 -2.367 -0.170 1.00 0.00 H new ATOM 1155 N ALA A 73 4.619 -4.250 -2.950 1.00 0.00 N ATOM 1156 CA ALA A 73 5.366 -4.040 -4.150 1.00 0.00 C ATOM 1157 C ALA A 73 4.356 -3.753 -5.208 1.00 0.00 C ATOM 1158 O ALA A 73 3.176 -4.058 -5.036 1.00 0.00 O ATOM 1159 CB ALA A 73 6.169 -5.299 -4.523 1.00 0.00 C ATOM 0 H ALA A 73 3.676 -4.599 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 73 6.081 -3.226 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.729 -5.115 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.861 -5.541 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.486 -6.134 -4.677 1.00 0.00 H new ATOM 1165 N ASN A 74 4.803 -3.160 -6.329 1.00 0.00 N ATOM 1166 CA ASN A 74 4.038 -2.973 -7.522 1.00 0.00 C ATOM 1167 C ASN A 74 2.759 -2.234 -7.327 1.00 0.00 C ATOM 1168 O ASN A 74 1.690 -2.655 -7.765 1.00 0.00 O ATOM 1169 CB ASN A 74 3.812 -4.308 -8.251 1.00 0.00 C ATOM 1170 CG ASN A 74 5.162 -4.931 -8.576 1.00 0.00 C ATOM 1171 OD1 ASN A 74 5.978 -4.329 -9.272 1.00 0.00 O ATOM 1172 ND2 ASN A 74 5.430 -6.163 -8.064 1.00 0.00 N ATOM 0 H ASN A 74 5.751 -2.791 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 74 4.644 -2.325 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.226 -4.983 -7.627 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.243 -4.145 -9.166 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.327 -6.610 -8.254 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.734 -6.639 -7.490 1.00 0.00 H new ATOM 1179 N VAL A 75 2.835 -1.065 -6.666 1.00 0.00 N ATOM 1180 CA VAL A 75 1.710 -0.248 -6.330 1.00 0.00 C ATOM 1181 C VAL A 75 1.532 0.794 -7.380 1.00 0.00 C ATOM 1182 O VAL A 75 2.336 1.715 -7.510 1.00 0.00 O ATOM 1183 CB VAL A 75 1.884 0.389 -4.983 1.00 0.00 C ATOM 1184 CG1 VAL A 75 0.557 1.024 -4.533 1.00 0.00 C ATOM 1185 CG2 VAL A 75 2.342 -0.670 -3.966 1.00 0.00 C ATOM 0 H VAL A 75 3.722 -0.671 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 75 0.820 -0.876 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 75 2.642 1.169 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.688 1.485 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.254 1.783 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.212 0.254 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.468 -0.205 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.592 -1.458 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.291 -1.098 -4.289 1.00 0.00 H new ATOM 1195 N THR A 76 0.485 0.684 -8.217 1.00 0.00 N ATOM 1196 CA THR A 76 0.232 1.569 -9.311 1.00 0.00 C ATOM 1197 C THR A 76 -0.472 2.805 -8.869 1.00 0.00 C ATOM 1198 O THR A 76 0.145 3.842 -8.628 1.00 0.00 O ATOM 1199 CB THR A 76 -0.503 0.940 -10.459 1.00 0.00 C ATOM 1200 OG1 THR A 76 0.149 -0.250 -10.877 1.00 0.00 O ATOM 1201 CG2 THR A 76 -0.550 1.856 -11.694 1.00 0.00 C ATOM 0 H THR A 76 -0.215 -0.053 -8.127 1.00 0.00 H new ATOM 0 HA THR A 76 1.221 1.831 -9.686 1.00 0.00 H new ATOM 0 HB THR A 76 -1.512 0.746 -10.094 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.344 -0.648 -11.625 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.092 1.356 -12.497 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.057 2.786 -11.438 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.466 2.075 -12.023 1.00 0.00 H new ATOM 1209 N GLY A 77 -1.809 2.734 -8.733 1.00 0.00 N ATOM 1210 CA GLY A 77 -2.681 3.810 -8.377 1.00 0.00 C ATOM 1211 C GLY A 77 -3.044 4.672 -9.536 1.00 0.00 C ATOM 1212 O GLY A 77 -2.201 5.473 -9.938 1.00 0.00 O ATOM 0 H GLY A 77 -2.315 1.861 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.590 3.403 -7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.202 4.421 -7.613 1.00 0.00 H new