USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 18 ASN : amide:sc= -2.17 K(o=-2.6,f=-5.8!) USER MOD Set 1.2: A 21 ASN :FLIP amide:sc= -0.443 F(o=-5.3,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.479 K(o=-0.48,f=-4!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 71:sc= 0.0189 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 PHE N :NH3+ 144:sc= 0.827 (180deg=0.284) USER MOD Single : B 3 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.31) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc=-0.00712 X(o=-0.0071,f=-0.29) USER MOD Single : B 9 SER OG : rot -104:sc= 1.08 USER MOD Single : B 10 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-6.1!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 0:sc= -1.98 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.312) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.058 22.193 -9.867 1.00 0.00 N ATOM 2 CA GLY A 1 9.912 21.195 -9.700 1.00 0.00 C ATOM 3 C GLY A 1 9.504 20.771 -8.331 1.00 0.00 C ATOM 4 O GLY A 1 9.213 21.587 -7.479 1.00 0.00 O ATOM 0 H1 GLY A 1 11.212 22.379 -10.879 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.817 23.082 -9.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.926 21.798 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.034 21.621 -10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.178 20.296 -10.255 1.00 0.00 H new ATOM 10 N ILE A 2 9.470 19.490 -8.081 1.00 0.00 N ATOM 11 CA ILE A 2 9.068 19.005 -6.731 1.00 0.00 C ATOM 12 C ILE A 2 9.086 17.475 -6.713 1.00 0.00 C ATOM 13 O ILE A 2 8.667 16.828 -7.652 1.00 0.00 O ATOM 14 CB ILE A 2 7.659 19.504 -6.409 1.00 0.00 C ATOM 15 CG1 ILE A 2 7.141 18.794 -5.155 1.00 0.00 C ATOM 16 CG2 ILE A 2 6.728 19.202 -7.585 1.00 0.00 C ATOM 17 CD1 ILE A 2 6.425 19.803 -4.256 1.00 0.00 C ATOM 0 H ILE A 2 9.703 18.759 -8.753 1.00 0.00 H new ATOM 0 HA ILE A 2 9.766 19.385 -5.985 1.00 0.00 H new ATOM 0 HB ILE A 2 7.687 20.580 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.458 17.991 -5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.970 18.335 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.724 19.558 -7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.096 19.706 -8.479 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.700 18.127 -7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.056 19.298 -3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.121 20.590 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.587 20.242 -4.797 1.00 0.00 H new ATOM 29 N VAL A 3 9.566 16.891 -5.649 1.00 0.00 N ATOM 30 CA VAL A 3 9.615 15.412 -5.561 1.00 0.00 C ATOM 31 C VAL A 3 8.202 14.841 -5.700 1.00 0.00 C ATOM 32 O VAL A 3 7.225 15.563 -5.689 1.00 0.00 O ATOM 33 CB VAL A 3 10.193 15.026 -4.206 1.00 0.00 C ATOM 34 CG1 VAL A 3 11.664 15.443 -4.137 1.00 0.00 C ATOM 35 CG2 VAL A 3 9.409 15.739 -3.104 1.00 0.00 C ATOM 0 H VAL A 3 9.928 17.383 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 3 10.238 15.011 -6.360 1.00 0.00 H new ATOM 0 HB VAL A 3 10.118 13.947 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.076 15.166 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.223 14.939 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.743 16.522 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.819 15.466 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.487 16.817 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.361 15.442 -3.153 1.00 0.00 H new ATOM 45 N GLU A 4 8.086 13.547 -5.833 1.00 0.00 N ATOM 46 CA GLU A 4 6.755 12.925 -5.973 1.00 0.00 C ATOM 47 C GLU A 4 6.634 11.805 -4.948 1.00 0.00 C ATOM 48 O GLU A 4 6.838 11.996 -3.766 1.00 0.00 O ATOM 49 CB GLU A 4 6.617 12.388 -7.401 1.00 0.00 C ATOM 50 CG GLU A 4 6.869 13.521 -8.399 1.00 0.00 C ATOM 51 CD GLU A 4 8.206 13.291 -9.106 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.602 12.143 -9.224 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.810 14.267 -9.520 1.00 0.00 O ATOM 0 H GLU A 4 8.870 12.895 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 4 5.959 13.648 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.328 11.578 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.620 11.973 -7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.061 13.562 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.880 14.480 -7.881 1.00 0.00 H new ATOM 60 N GLN A 5 6.306 10.648 -5.398 1.00 0.00 N ATOM 61 CA GLN A 5 6.161 9.483 -4.482 1.00 0.00 C ATOM 62 C GLN A 5 5.343 8.390 -5.174 1.00 0.00 C ATOM 63 O GLN A 5 5.037 8.481 -6.347 1.00 0.00 O ATOM 64 CB GLN A 5 5.444 9.920 -3.202 1.00 0.00 C ATOM 65 CG GLN A 5 6.463 10.058 -2.069 1.00 0.00 C ATOM 66 CD GLN A 5 5.950 9.323 -0.829 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.984 8.591 -0.899 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.561 9.491 0.312 1.00 0.00 N ATOM 0 H GLN A 5 6.126 10.443 -6.381 1.00 0.00 H new ATOM 0 HA GLN A 5 7.149 9.097 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.934 10.869 -3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.681 9.190 -2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.424 9.646 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.627 11.111 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.373 10.106 0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.227 9.007 1.145 1.00 0.00 H new ATOM 77 N CYS A 6 4.985 7.356 -4.460 1.00 0.00 N ATOM 78 CA CYS A 6 4.187 6.266 -5.078 1.00 0.00 C ATOM 79 C CYS A 6 3.016 6.875 -5.842 1.00 0.00 C ATOM 80 O CYS A 6 3.102 7.151 -7.023 1.00 0.00 O ATOM 81 CB CYS A 6 3.657 5.338 -3.984 1.00 0.00 C ATOM 82 SG CYS A 6 4.618 3.805 -3.975 1.00 0.00 S ATOM 0 H CYS A 6 5.213 7.222 -3.475 1.00 0.00 H new ATOM 0 HA CYS A 6 4.814 5.695 -5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.725 5.828 -3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.604 5.118 -4.158 1.00 0.00 H new ATOM 87 N CYS A 7 1.927 7.097 -5.169 1.00 0.00 N ATOM 88 CA CYS A 7 0.743 7.703 -5.839 1.00 0.00 C ATOM 89 C CYS A 7 0.380 9.006 -5.116 1.00 0.00 C ATOM 90 O CYS A 7 0.404 10.074 -5.694 1.00 0.00 O ATOM 91 CB CYS A 7 -0.434 6.712 -5.797 1.00 0.00 C ATOM 92 SG CYS A 7 -2.019 7.585 -5.938 1.00 0.00 S ATOM 0 H CYS A 7 1.803 6.885 -4.179 1.00 0.00 H new ATOM 0 HA CYS A 7 0.970 7.924 -6.882 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.337 5.991 -6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.407 6.147 -4.865 1.00 0.00 H new ATOM 97 N THR A 8 0.052 8.922 -3.855 1.00 0.00 N ATOM 98 CA THR A 8 -0.305 10.146 -3.090 1.00 0.00 C ATOM 99 C THR A 8 -0.773 9.751 -1.688 1.00 0.00 C ATOM 100 O THR A 8 -1.950 9.587 -1.440 1.00 0.00 O ATOM 101 CB THR A 8 -1.427 10.901 -3.807 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.798 12.035 -3.038 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.631 9.979 -3.975 1.00 0.00 C ATOM 0 H THR A 8 0.016 8.053 -3.322 1.00 0.00 H new ATOM 0 HA THR A 8 0.571 10.791 -3.017 1.00 0.00 H new ATOM 0 HB THR A 8 -1.081 11.227 -4.788 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.515 12.521 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.431 10.515 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.343 9.109 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.980 9.654 -2.995 1.00 0.00 H new ATOM 111 N SER A 9 0.141 9.599 -0.769 1.00 0.00 N ATOM 112 CA SER A 9 -0.247 9.216 0.614 1.00 0.00 C ATOM 113 C SER A 9 0.995 8.776 1.390 1.00 0.00 C ATOM 114 O SER A 9 1.399 9.410 2.345 1.00 0.00 O ATOM 115 CB SER A 9 -1.253 8.064 0.563 1.00 0.00 C ATOM 116 OG SER A 9 -2.464 8.470 1.186 1.00 0.00 O ATOM 0 H SER A 9 1.142 9.724 -0.919 1.00 0.00 H new ATOM 0 HA SER A 9 -0.702 10.072 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.441 7.776 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.846 7.188 1.069 1.00 0.00 H new ATOM 0 HG SER A 9 -2.920 9.126 0.618 1.00 0.00 H new ATOM 122 N ILE A 10 1.609 7.697 0.984 1.00 0.00 N ATOM 123 CA ILE A 10 2.824 7.217 1.690 1.00 0.00 C ATOM 124 C ILE A 10 3.310 5.920 1.041 1.00 0.00 C ATOM 125 O ILE A 10 2.525 5.099 0.608 1.00 0.00 O ATOM 126 CB ILE A 10 2.496 6.958 3.163 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.796 6.777 3.950 1.00 0.00 C ATOM 128 CG2 ILE A 10 1.649 5.689 3.284 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.032 8.001 4.838 1.00 0.00 C ATOM 0 H ILE A 10 1.317 7.127 0.190 1.00 0.00 H new ATOM 0 HA ILE A 10 3.605 7.975 1.622 1.00 0.00 H new ATOM 0 HB ILE A 10 1.940 7.805 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.741 5.876 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.633 6.646 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.416 5.506 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.723 5.815 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.204 4.841 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.958 7.871 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.106 8.893 4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.200 8.112 5.533 1.00 0.00 H new ATOM 141 N CYS A 11 4.599 5.725 0.970 1.00 0.00 N ATOM 142 CA CYS A 11 5.125 4.477 0.351 1.00 0.00 C ATOM 143 C CYS A 11 6.481 4.128 0.969 1.00 0.00 C ATOM 144 O CYS A 11 7.497 4.129 0.304 1.00 0.00 O ATOM 145 CB CYS A 11 5.290 4.681 -1.159 1.00 0.00 C ATOM 146 SG CYS A 11 4.631 3.241 -2.035 1.00 0.00 S ATOM 0 H CYS A 11 5.307 6.374 1.313 1.00 0.00 H new ATOM 0 HA CYS A 11 4.423 3.663 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.767 5.583 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.343 4.820 -1.406 1.00 0.00 H new ATOM 151 N SER A 12 6.503 3.829 2.241 1.00 0.00 N ATOM 152 CA SER A 12 7.792 3.481 2.902 1.00 0.00 C ATOM 153 C SER A 12 7.885 1.961 3.071 1.00 0.00 C ATOM 154 O SER A 12 6.887 1.273 3.145 1.00 0.00 O ATOM 155 CB SER A 12 7.857 4.150 4.274 1.00 0.00 C ATOM 156 OG SER A 12 8.951 5.058 4.302 1.00 0.00 O ATOM 0 H SER A 12 5.684 3.811 2.849 1.00 0.00 H new ATOM 0 HA SER A 12 8.622 3.830 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.926 4.678 4.478 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.974 3.397 5.053 1.00 0.00 H new ATOM 0 HG SER A 12 8.995 5.490 5.180 1.00 0.00 H new ATOM 162 N LEU A 13 9.078 1.434 3.132 1.00 0.00 N ATOM 163 CA LEU A 13 9.237 -0.039 3.295 1.00 0.00 C ATOM 164 C LEU A 13 8.489 -0.504 4.547 1.00 0.00 C ATOM 165 O LEU A 13 7.725 -1.447 4.510 1.00 0.00 O ATOM 166 CB LEU A 13 10.723 -0.378 3.441 1.00 0.00 C ATOM 167 CG LEU A 13 11.294 -0.796 2.084 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.462 -1.944 1.507 1.00 0.00 C ATOM 169 CD2 LEU A 13 11.250 0.397 1.125 1.00 0.00 C ATOM 0 H LEU A 13 9.950 1.961 3.076 1.00 0.00 H new ATOM 0 HA LEU A 13 8.828 -0.543 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.267 0.485 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.853 -1.183 4.164 1.00 0.00 H new ATOM 0 HG LEU A 13 12.325 -1.126 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.871 -2.240 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.492 -2.794 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.430 -1.617 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.656 0.101 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.218 0.726 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.844 1.214 1.534 1.00 0.00 H new ATOM 181 N TYR A 14 8.710 0.147 5.657 1.00 0.00 N ATOM 182 CA TYR A 14 8.022 -0.258 6.914 1.00 0.00 C ATOM 183 C TYR A 14 6.555 -0.586 6.625 1.00 0.00 C ATOM 184 O TYR A 14 6.080 -1.662 6.930 1.00 0.00 O ATOM 185 CB TYR A 14 8.096 0.888 7.927 1.00 0.00 C ATOM 186 CG TYR A 14 9.540 1.259 8.161 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.306 0.544 9.091 1.00 0.00 C ATOM 188 CD2 TYR A 14 10.114 2.319 7.447 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.646 0.889 9.307 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.455 2.664 7.662 1.00 0.00 C ATOM 191 CZ TYR A 14 12.222 1.949 8.593 1.00 0.00 C ATOM 192 OH TYR A 14 13.541 2.290 8.805 1.00 0.00 O ATOM 0 H TYR A 14 9.340 0.944 5.746 1.00 0.00 H new ATOM 0 HA TYR A 14 8.513 -1.142 7.321 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.543 1.751 7.557 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.629 0.589 8.866 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.863 -0.273 9.641 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.523 2.870 6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.236 0.338 10.024 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.898 3.480 7.111 1.00 0.00 H new ATOM 0 HH TYR A 14 13.780 3.045 8.228 1.00 0.00 H new ATOM 202 N GLN A 15 5.831 0.334 6.047 1.00 0.00 N ATOM 203 CA GLN A 15 4.395 0.069 5.750 1.00 0.00 C ATOM 204 C GLN A 15 4.274 -0.758 4.476 1.00 0.00 C ATOM 205 O GLN A 15 3.340 -1.516 4.303 1.00 0.00 O ATOM 206 CB GLN A 15 3.657 1.397 5.572 1.00 0.00 C ATOM 207 CG GLN A 15 3.859 2.265 6.815 1.00 0.00 C ATOM 208 CD GLN A 15 2.790 3.358 6.853 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.667 3.141 6.444 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.095 4.534 7.331 1.00 0.00 N ATOM 0 H GLN A 15 6.171 1.255 5.769 1.00 0.00 H new ATOM 0 HA GLN A 15 3.953 -0.485 6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.029 1.916 4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.594 1.216 5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.799 1.651 7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.852 2.713 6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.038 4.716 7.674 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.390 5.271 7.361 1.00 0.00 H new ATOM 219 N LEU A 16 5.210 -0.631 3.584 1.00 0.00 N ATOM 220 CA LEU A 16 5.136 -1.426 2.330 1.00 0.00 C ATOM 221 C LEU A 16 5.411 -2.894 2.662 1.00 0.00 C ATOM 222 O LEU A 16 4.763 -3.463 3.518 1.00 0.00 O ATOM 223 CB LEU A 16 6.149 -0.908 1.315 1.00 0.00 C ATOM 224 CG LEU A 16 5.738 0.478 0.776 1.00 0.00 C ATOM 225 CD1 LEU A 16 5.695 0.418 -0.748 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.351 0.907 1.287 1.00 0.00 C ATOM 0 H LEU A 16 6.019 -0.015 3.666 1.00 0.00 H new ATOM 0 HA LEU A 16 4.143 -1.332 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.133 -0.844 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.232 -1.613 0.488 1.00 0.00 H new ATOM 0 HG LEU A 16 6.470 1.206 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.406 1.392 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.680 0.150 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.968 -0.331 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.102 1.888 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.604 0.182 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.363 0.956 2.376 1.00 0.00 H new ATOM 238 N GLU A 17 6.352 -3.527 2.001 1.00 0.00 N ATOM 239 CA GLU A 17 6.620 -4.958 2.303 1.00 0.00 C ATOM 240 C GLU A 17 5.281 -5.679 2.385 1.00 0.00 C ATOM 241 O GLU A 17 5.130 -6.675 3.064 1.00 0.00 O ATOM 242 CB GLU A 17 7.354 -5.073 3.642 1.00 0.00 C ATOM 243 CG GLU A 17 8.745 -4.450 3.516 1.00 0.00 C ATOM 244 CD GLU A 17 9.808 -5.546 3.611 1.00 0.00 C ATOM 245 OE1 GLU A 17 9.567 -6.624 3.090 1.00 0.00 O ATOM 246 OE2 GLU A 17 10.844 -5.290 4.203 1.00 0.00 O ATOM 0 H GLU A 17 6.937 -3.115 1.274 1.00 0.00 H new ATOM 0 HA GLU A 17 7.242 -5.402 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.787 -4.568 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.438 -6.120 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.834 -3.924 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.897 -3.712 4.304 1.00 0.00 H new ATOM 253 N ASN A 18 4.301 -5.162 1.696 1.00 0.00 N ATOM 254 CA ASN A 18 2.959 -5.784 1.722 1.00 0.00 C ATOM 255 C ASN A 18 1.978 -4.907 0.945 1.00 0.00 C ATOM 256 O ASN A 18 1.781 -5.076 -0.242 1.00 0.00 O ATOM 257 CB ASN A 18 2.490 -5.924 3.173 1.00 0.00 C ATOM 258 CG ASN A 18 2.566 -7.392 3.597 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.855 -8.255 2.792 1.00 0.00 O ATOM 260 ND2 ASN A 18 2.314 -7.714 4.837 1.00 0.00 N ATOM 0 H ASN A 18 4.379 -4.329 1.113 1.00 0.00 H new ATOM 0 HA ASN A 18 3.004 -6.771 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.112 -5.313 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.468 -5.559 3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.360 -8.690 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.071 -6.990 5.513 1.00 0.00 H new ATOM 267 N TYR A 19 1.364 -3.972 1.609 1.00 0.00 N ATOM 268 CA TYR A 19 0.393 -3.076 0.917 1.00 0.00 C ATOM 269 C TYR A 19 -0.859 -3.871 0.537 1.00 0.00 C ATOM 270 O TYR A 19 -1.745 -3.370 -0.126 1.00 0.00 O ATOM 271 CB TYR A 19 1.038 -2.506 -0.348 1.00 0.00 C ATOM 272 CG TYR A 19 0.767 -1.022 -0.427 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.229 -0.171 0.586 1.00 0.00 C ATOM 274 CD2 TYR A 19 0.053 -0.497 -1.512 1.00 0.00 C ATOM 275 CE1 TYR A 19 0.978 1.204 0.514 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.200 0.881 -1.584 1.00 0.00 C ATOM 277 CZ TYR A 19 0.263 1.731 -0.571 1.00 0.00 C ATOM 278 OH TYR A 19 0.016 3.087 -0.641 1.00 0.00 O ATOM 0 H TYR A 19 1.491 -3.787 2.604 1.00 0.00 H new ATOM 0 HA TYR A 19 0.115 -2.260 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.112 -2.690 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.639 -3.007 -1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.779 -0.576 1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.303 -1.153 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.335 1.859 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.751 1.286 -2.420 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.490 3.286 -1.456 1.00 0.00 H new ATOM 288 N CYS A 20 -0.942 -5.106 0.952 1.00 0.00 N ATOM 289 CA CYS A 20 -2.138 -5.927 0.615 1.00 0.00 C ATOM 290 C CYS A 20 -2.447 -6.875 1.776 1.00 0.00 C ATOM 291 O CYS A 20 -2.508 -8.077 1.609 1.00 0.00 O ATOM 292 CB CYS A 20 -1.860 -6.742 -0.652 1.00 0.00 C ATOM 293 SG CYS A 20 -0.214 -7.489 -0.544 1.00 0.00 S ATOM 0 H CYS A 20 -0.233 -5.581 1.510 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.992 -5.272 0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.616 -7.518 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.922 -6.100 -1.531 1.00 0.00 H new ATOM 298 N ASN A 21 -2.640 -6.344 2.952 1.00 0.00 N ATOM 299 CA ASN A 21 -2.943 -7.214 4.123 1.00 0.00 C ATOM 300 C ASN A 21 -4.086 -6.599 4.934 1.00 0.00 C ATOM 301 O ASN A 21 -5.080 -6.124 4.381 1.00 0.00 O ATOM 302 CB ASN A 21 -1.699 -7.333 5.005 1.00 0.00 C ATOM 303 CG ASN A 21 -0.953 -8.623 4.662 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.100 -8.627 3.674 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -1.149 -9.639 5.300 1.00 0.00 N flip ATOM 0 H ASN A 21 -2.601 -5.345 3.153 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.237 -8.204 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.048 -6.472 4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.985 -7.334 6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.816 -9.636 6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.647 -10.495 5.063 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 0.734 -2.717 -20.891 1.00 0.00 N ATOM 314 CA PHE B 1 -0.549 -2.405 -20.201 1.00 0.00 C ATOM 315 C PHE B 1 -0.717 -0.888 -20.093 1.00 0.00 C ATOM 316 O PHE B 1 0.231 -0.137 -20.218 1.00 0.00 O ATOM 317 CB PHE B 1 -0.536 -3.014 -18.797 1.00 0.00 C ATOM 318 CG PHE B 1 -0.083 -4.452 -18.875 1.00 0.00 C ATOM 319 CD1 PHE B 1 -0.849 -5.390 -19.579 1.00 0.00 C ATOM 320 CD2 PHE B 1 1.104 -4.847 -18.243 1.00 0.00 C ATOM 321 CE1 PHE B 1 -0.428 -6.725 -19.650 1.00 0.00 C ATOM 322 CE2 PHE B 1 1.524 -6.182 -18.315 1.00 0.00 C ATOM 323 CZ PHE B 1 0.758 -7.121 -19.019 1.00 0.00 C ATOM 0 H1 PHE B 1 1.154 -3.571 -20.473 1.00 0.00 H new ATOM 0 H2 PHE B 1 0.554 -2.880 -21.902 1.00 0.00 H new ATOM 0 H3 PHE B 1 1.391 -1.918 -20.780 1.00 0.00 H new ATOM 0 HA PHE B 1 -1.377 -2.824 -20.773 1.00 0.00 H new ATOM 0 HB2 PHE B 1 0.132 -2.446 -18.149 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -1.531 -2.959 -18.356 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -1.763 -5.085 -20.067 1.00 0.00 H new ATOM 0 HD2 PHE B 1 1.694 -4.123 -17.701 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -1.019 -7.449 -20.192 1.00 0.00 H new ATOM 0 HE2 PHE B 1 2.438 -6.487 -17.828 1.00 0.00 H new ATOM 0 HZ PHE B 1 1.082 -8.150 -19.075 1.00 0.00 H new ATOM 333 N VAL B 2 -1.918 -0.430 -19.863 1.00 0.00 N ATOM 334 CA VAL B 2 -2.146 1.037 -19.745 1.00 0.00 C ATOM 335 C VAL B 2 -1.564 1.539 -18.421 1.00 0.00 C ATOM 336 O VAL B 2 -1.696 0.903 -17.395 1.00 0.00 O ATOM 337 CB VAL B 2 -3.648 1.325 -19.783 1.00 0.00 C ATOM 338 CG1 VAL B 2 -4.295 0.847 -18.481 1.00 0.00 C ATOM 339 CG2 VAL B 2 -3.873 2.832 -19.938 1.00 0.00 C ATOM 0 H VAL B 2 -2.750 -1.009 -19.752 1.00 0.00 H new ATOM 0 HA VAL B 2 -1.657 1.548 -20.574 1.00 0.00 H new ATOM 0 HB VAL B 2 -4.097 0.799 -20.626 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -5.365 1.053 -18.509 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -4.135 -0.225 -18.367 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -3.847 1.372 -17.638 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -4.943 3.039 -19.965 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -3.423 3.356 -19.094 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -3.413 3.175 -20.865 1.00 0.00 H new ATOM 349 N ASN B 3 -0.921 2.674 -18.439 1.00 0.00 N ATOM 350 CA ASN B 3 -0.332 3.213 -17.181 1.00 0.00 C ATOM 351 C ASN B 3 -0.627 4.712 -17.082 1.00 0.00 C ATOM 352 O ASN B 3 0.236 5.540 -17.289 1.00 0.00 O ATOM 353 CB ASN B 3 1.183 2.990 -17.190 1.00 0.00 C ATOM 354 CG ASN B 3 1.741 3.317 -18.576 1.00 0.00 C ATOM 355 OD1 ASN B 3 1.721 2.486 -19.462 1.00 0.00 O ATOM 356 ND2 ASN B 3 2.242 4.500 -18.803 1.00 0.00 N ATOM 0 H ASN B 3 -0.778 3.250 -19.268 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.769 2.699 -16.325 1.00 0.00 H new ATOM 0 HB2 ASN B 3 1.658 3.620 -16.438 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.410 1.956 -16.930 1.00 0.00 H new ATOM 0 HD21 ASN B 3 2.617 4.727 -19.724 1.00 0.00 H new ATOM 0 HD22 ASN B 3 2.259 5.198 -18.059 1.00 0.00 H new ATOM 363 N GLN B 4 -1.844 5.064 -16.766 1.00 0.00 N ATOM 364 CA GLN B 4 -2.196 6.507 -16.655 1.00 0.00 C ATOM 365 C GLN B 4 -2.998 6.739 -15.372 1.00 0.00 C ATOM 366 O GLN B 4 -4.062 7.324 -15.391 1.00 0.00 O ATOM 367 CB GLN B 4 -3.037 6.922 -17.864 1.00 0.00 C ATOM 368 CG GLN B 4 -2.157 7.670 -18.867 1.00 0.00 C ATOM 369 CD GLN B 4 -2.330 7.054 -20.257 1.00 0.00 C ATOM 370 OE1 GLN B 4 -3.147 7.504 -21.037 1.00 0.00 O ATOM 371 NE2 GLN B 4 -1.590 6.037 -20.603 1.00 0.00 N ATOM 0 H GLN B 4 -2.608 4.415 -16.580 1.00 0.00 H new ATOM 0 HA GLN B 4 -1.283 7.102 -16.626 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.475 6.042 -18.335 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -3.863 7.557 -17.545 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -2.429 8.725 -18.889 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -1.112 7.616 -18.561 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -0.904 5.659 -19.949 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -1.697 5.620 -21.528 1.00 0.00 H new ATOM 380 N HIS B 5 -2.494 6.285 -14.257 1.00 0.00 N ATOM 381 CA HIS B 5 -3.228 6.478 -12.974 1.00 0.00 C ATOM 382 C HIS B 5 -2.406 5.895 -11.823 1.00 0.00 C ATOM 383 O HIS B 5 -2.196 4.701 -11.739 1.00 0.00 O ATOM 384 CB HIS B 5 -4.581 5.768 -13.046 1.00 0.00 C ATOM 385 CG HIS B 5 -5.285 5.900 -11.724 1.00 0.00 C ATOM 386 ND1 HIS B 5 -5.958 4.838 -11.158 1.00 0.00 N ATOM 387 CD2 HIS B 5 -5.411 6.964 -10.874 1.00 0.00 C ATOM 388 CE1 HIS B 5 -6.466 5.279 -9.999 1.00 0.00 C ATOM 389 NE2 HIS B 5 -6.157 6.573 -9.782 1.00 0.00 N ATOM 0 H HIS B 5 -1.606 5.789 -14.179 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.387 7.543 -12.804 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -5.190 6.201 -13.840 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -4.439 4.716 -13.292 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -4.995 7.948 -11.032 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -7.050 4.673 -9.323 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -6.420 7.144 -8.978 1.00 0.00 H new ATOM 398 N LEU B 6 -1.937 6.729 -10.936 1.00 0.00 N ATOM 399 CA LEU B 6 -1.126 6.226 -9.793 1.00 0.00 C ATOM 400 C LEU B 6 -1.997 5.374 -8.867 1.00 0.00 C ATOM 401 O LEU B 6 -3.208 5.376 -8.963 1.00 0.00 O ATOM 402 CB LEU B 6 -0.567 7.414 -9.010 1.00 0.00 C ATOM 403 CG LEU B 6 0.401 8.198 -9.897 1.00 0.00 C ATOM 404 CD1 LEU B 6 1.135 9.238 -9.052 1.00 0.00 C ATOM 405 CD2 LEU B 6 1.417 7.236 -10.516 1.00 0.00 C ATOM 0 H LEU B 6 -2.081 7.739 -10.954 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.308 5.616 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -1.380 8.061 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.054 7.064 -8.114 1.00 0.00 H new ATOM 0 HG LEU B 6 -0.155 8.699 -10.689 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.826 9.798 -9.683 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.412 9.923 -8.609 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.692 8.736 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.108 7.794 -11.149 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.974 6.736 -9.724 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.894 6.492 -11.117 1.00 0.00 H new ATOM 417 N CYS B 7 -1.373 4.650 -7.973 1.00 0.00 N ATOM 418 CA CYS B 7 -2.125 3.780 -7.016 1.00 0.00 C ATOM 419 C CYS B 7 -3.361 3.187 -7.697 1.00 0.00 C ATOM 420 O CYS B 7 -4.469 3.327 -7.222 1.00 0.00 O ATOM 421 CB CYS B 7 -2.560 4.603 -5.797 1.00 0.00 C ATOM 422 SG CYS B 7 -3.365 6.131 -6.341 1.00 0.00 S ATOM 0 H CYS B 7 -0.359 4.624 -7.864 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.472 2.969 -6.694 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.244 4.021 -5.180 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.694 4.838 -5.178 1.00 0.00 H new ATOM 427 N GLY B 8 -3.181 2.523 -8.807 1.00 0.00 N ATOM 428 CA GLY B 8 -4.350 1.924 -9.511 1.00 0.00 C ATOM 429 C GLY B 8 -3.878 1.208 -10.778 1.00 0.00 C ATOM 430 O GLY B 8 -4.179 0.051 -10.995 1.00 0.00 O ATOM 0 H GLY B 8 -2.278 2.370 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.861 1.221 -8.854 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.070 2.701 -9.768 1.00 0.00 H new ATOM 434 N SER B 9 -3.145 1.885 -11.619 1.00 0.00 N ATOM 435 CA SER B 9 -2.662 1.239 -12.871 1.00 0.00 C ATOM 436 C SER B 9 -1.139 1.102 -12.825 1.00 0.00 C ATOM 437 O SER B 9 -0.597 0.034 -13.027 1.00 0.00 O ATOM 438 CB SER B 9 -3.059 2.096 -14.073 1.00 0.00 C ATOM 439 OG SER B 9 -3.163 1.270 -15.226 1.00 0.00 O ATOM 0 H SER B 9 -2.860 2.856 -11.493 1.00 0.00 H new ATOM 0 HA SER B 9 -3.112 0.250 -12.963 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.010 2.594 -13.881 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.318 2.878 -14.237 1.00 0.00 H new ATOM 0 HG SER B 9 -2.381 1.410 -15.800 1.00 0.00 H new ATOM 445 N HIS B 10 -0.444 2.174 -12.561 1.00 0.00 N ATOM 446 CA HIS B 10 1.042 2.101 -12.504 1.00 0.00 C ATOM 447 C HIS B 10 1.472 1.502 -11.163 1.00 0.00 C ATOM 448 O HIS B 10 2.373 0.689 -11.095 1.00 0.00 O ATOM 449 CB HIS B 10 1.628 3.506 -12.649 1.00 0.00 C ATOM 450 CG HIS B 10 2.967 3.425 -13.329 1.00 0.00 C ATOM 451 ND1 HIS B 10 3.081 3.471 -14.703 1.00 0.00 N ATOM 452 CD2 HIS B 10 4.229 3.302 -12.817 1.00 0.00 C ATOM 453 CE1 HIS B 10 4.389 3.377 -14.983 1.00 0.00 C ATOM 454 NE2 HIS B 10 5.130 3.272 -13.861 1.00 0.00 N ATOM 0 H HIS B 10 -0.841 3.096 -12.382 1.00 0.00 H new ATOM 0 HA HIS B 10 1.407 1.471 -13.316 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.952 4.135 -13.228 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.734 3.970 -11.668 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.479 3.239 -11.768 1.00 0.00 H new ATOM 0 HE1 HIS B 10 4.798 3.384 -15.982 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.145 3.188 -13.798 1.00 0.00 H new ATOM 463 N LEU B 11 0.830 1.893 -10.095 1.00 0.00 N ATOM 464 CA LEU B 11 1.200 1.342 -8.761 1.00 0.00 C ATOM 465 C LEU B 11 0.890 -0.156 -8.728 1.00 0.00 C ATOM 466 O LEU B 11 1.695 -0.957 -8.297 1.00 0.00 O ATOM 467 CB LEU B 11 0.388 2.054 -7.676 1.00 0.00 C ATOM 468 CG LEU B 11 1.336 2.710 -6.672 1.00 0.00 C ATOM 469 CD1 LEU B 11 2.314 3.622 -7.412 1.00 0.00 C ATOM 470 CD2 LEU B 11 0.539 3.540 -5.663 1.00 0.00 C ATOM 0 H LEU B 11 0.066 2.569 -10.089 1.00 0.00 H new ATOM 0 HA LEU B 11 2.264 1.498 -8.582 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.258 2.807 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.261 1.341 -7.167 1.00 0.00 H new ATOM 0 HG LEU B 11 1.886 1.931 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.989 4.089 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.892 3.034 -8.125 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.759 4.395 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.223 4.003 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.018 4.316 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.157 2.893 -5.128 1.00 0.00 H new ATOM 482 N VAL B 12 -0.272 -0.540 -9.183 1.00 0.00 N ATOM 483 CA VAL B 12 -0.631 -1.986 -9.178 1.00 0.00 C ATOM 484 C VAL B 12 0.502 -2.792 -9.807 1.00 0.00 C ATOM 485 O VAL B 12 0.817 -3.885 -9.378 1.00 0.00 O ATOM 486 CB VAL B 12 -1.915 -2.198 -9.982 1.00 0.00 C ATOM 487 CG1 VAL B 12 -3.116 -1.707 -9.171 1.00 0.00 C ATOM 488 CG2 VAL B 12 -1.832 -1.411 -11.292 1.00 0.00 C ATOM 0 H VAL B 12 -0.987 0.084 -9.557 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.788 -2.317 -8.152 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.033 -3.259 -10.200 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.030 -1.859 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.177 -2.266 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.998 -0.646 -8.952 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.747 -1.562 -11.865 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.712 -0.350 -11.072 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.978 -1.760 -11.873 1.00 0.00 H new ATOM 498 N GLU B 13 1.114 -2.260 -10.822 1.00 0.00 N ATOM 499 CA GLU B 13 2.227 -2.983 -11.487 1.00 0.00 C ATOM 500 C GLU B 13 3.260 -3.400 -10.443 1.00 0.00 C ATOM 501 O GLU B 13 3.384 -4.560 -10.099 1.00 0.00 O ATOM 502 CB GLU B 13 2.884 -2.070 -12.523 1.00 0.00 C ATOM 503 CG GLU B 13 2.325 -2.395 -13.909 1.00 0.00 C ATOM 504 CD GLU B 13 2.580 -1.217 -14.853 1.00 0.00 C ATOM 505 OE1 GLU B 13 3.736 -0.882 -15.052 1.00 0.00 O ATOM 506 OE2 GLU B 13 1.614 -0.672 -15.361 1.00 0.00 O ATOM 0 H GLU B 13 0.890 -1.349 -11.223 1.00 0.00 H new ATOM 0 HA GLU B 13 1.837 -3.871 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.693 -1.025 -12.277 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.965 -2.208 -12.513 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.796 -3.297 -14.300 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.256 -2.597 -13.843 1.00 0.00 H new ATOM 513 N ALA B 14 3.999 -2.460 -9.940 1.00 0.00 N ATOM 514 CA ALA B 14 5.029 -2.779 -8.917 1.00 0.00 C ATOM 515 C ALA B 14 4.390 -3.587 -7.789 1.00 0.00 C ATOM 516 O ALA B 14 5.058 -4.287 -7.054 1.00 0.00 O ATOM 517 CB ALA B 14 5.603 -1.480 -8.350 1.00 0.00 C ATOM 0 H ALA B 14 3.935 -1.474 -10.194 1.00 0.00 H new ATOM 0 HA ALA B 14 5.829 -3.361 -9.375 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.358 -1.713 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.057 -0.901 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.803 -0.899 -7.891 1.00 0.00 H new ATOM 523 N LEU B 15 3.100 -3.492 -7.649 1.00 0.00 N ATOM 524 CA LEU B 15 2.406 -4.249 -6.570 1.00 0.00 C ATOM 525 C LEU B 15 1.962 -5.611 -7.108 1.00 0.00 C ATOM 526 O LEU B 15 1.608 -6.499 -6.358 1.00 0.00 O ATOM 527 CB LEU B 15 1.185 -3.460 -6.100 1.00 0.00 C ATOM 528 CG LEU B 15 0.673 -4.047 -4.785 1.00 0.00 C ATOM 529 CD1 LEU B 15 1.264 -3.268 -3.611 1.00 0.00 C ATOM 530 CD2 LEU B 15 -0.851 -3.942 -4.744 1.00 0.00 C ATOM 0 H LEU B 15 2.493 -2.921 -8.237 1.00 0.00 H new ATOM 0 HA LEU B 15 3.087 -4.396 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.447 -2.411 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.401 -3.498 -6.857 1.00 0.00 H new ATOM 0 HG LEU B 15 0.972 -5.093 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.898 -3.688 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.351 -3.337 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.965 -2.222 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.219 -4.360 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.146 -2.895 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.277 -4.496 -5.581 1.00 0.00 H new ATOM 542 N TYR B 16 1.980 -5.782 -8.400 1.00 0.00 N ATOM 543 CA TYR B 16 1.562 -7.087 -8.984 1.00 0.00 C ATOM 544 C TYR B 16 2.688 -8.108 -8.809 1.00 0.00 C ATOM 545 O TYR B 16 2.532 -9.275 -9.103 1.00 0.00 O ATOM 546 CB TYR B 16 1.259 -6.906 -10.473 1.00 0.00 C ATOM 547 CG TYR B 16 -0.233 -6.974 -10.693 1.00 0.00 C ATOM 548 CD1 TYR B 16 -0.993 -7.951 -10.036 1.00 0.00 C ATOM 549 CD2 TYR B 16 -0.858 -6.060 -11.550 1.00 0.00 C ATOM 550 CE1 TYR B 16 -2.378 -8.015 -10.238 1.00 0.00 C ATOM 551 CE2 TYR B 16 -2.244 -6.123 -11.752 1.00 0.00 C ATOM 552 CZ TYR B 16 -3.004 -7.100 -11.096 1.00 0.00 C ATOM 553 OH TYR B 16 -4.368 -7.163 -11.294 1.00 0.00 O ATOM 0 H TYR B 16 2.266 -5.075 -9.077 1.00 0.00 H new ATOM 0 HA TYR B 16 0.667 -7.444 -8.474 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.646 -5.948 -10.820 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.759 -7.681 -11.054 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.511 -8.655 -9.374 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.272 -5.306 -12.055 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.963 -8.769 -9.733 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.726 -5.418 -12.413 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.641 -6.457 -11.916 1.00 0.00 H new ATOM 563 N LEU B 17 3.824 -7.678 -8.327 1.00 0.00 N ATOM 564 CA LEU B 17 4.955 -8.624 -8.132 1.00 0.00 C ATOM 565 C LEU B 17 5.210 -8.813 -6.634 1.00 0.00 C ATOM 566 O LEU B 17 5.840 -9.764 -6.216 1.00 0.00 O ATOM 567 CB LEU B 17 6.211 -8.059 -8.797 1.00 0.00 C ATOM 568 CG LEU B 17 7.239 -9.177 -8.984 1.00 0.00 C ATOM 569 CD1 LEU B 17 7.934 -9.011 -10.336 1.00 0.00 C ATOM 570 CD2 LEU B 17 8.278 -9.106 -7.864 1.00 0.00 C ATOM 0 H LEU B 17 4.015 -6.712 -8.061 1.00 0.00 H new ATOM 0 HA LEU B 17 4.707 -9.586 -8.582 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.958 -7.619 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.632 -7.262 -8.184 1.00 0.00 H new ATOM 0 HG LEU B 17 6.735 -10.143 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.666 -9.807 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.194 -9.062 -11.134 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.438 -8.045 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.011 -9.902 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.782 -8.140 -7.896 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.783 -9.225 -6.900 1.00 0.00 H new ATOM 582 N VAL B 18 4.724 -7.913 -5.821 1.00 0.00 N ATOM 583 CA VAL B 18 4.941 -8.043 -4.353 1.00 0.00 C ATOM 584 C VAL B 18 3.882 -8.963 -3.753 1.00 0.00 C ATOM 585 O VAL B 18 4.184 -9.852 -2.981 1.00 0.00 O ATOM 586 CB VAL B 18 4.822 -6.675 -3.682 1.00 0.00 C ATOM 587 CG1 VAL B 18 3.436 -6.088 -3.952 1.00 0.00 C ATOM 588 CG2 VAL B 18 5.001 -6.848 -2.175 1.00 0.00 C ATOM 0 H VAL B 18 4.187 -7.095 -6.110 1.00 0.00 H new ATOM 0 HA VAL B 18 5.937 -8.455 -4.187 1.00 0.00 H new ATOM 0 HB VAL B 18 5.585 -6.005 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.354 -5.113 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.291 -5.977 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.674 -6.755 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.918 -5.878 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.229 -7.515 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.983 -7.274 -1.972 1.00 0.00 H new ATOM 598 N CYS B 19 2.641 -8.748 -4.087 1.00 0.00 N ATOM 599 CA CYS B 19 1.570 -9.601 -3.516 1.00 0.00 C ATOM 600 C CYS B 19 1.220 -10.715 -4.505 1.00 0.00 C ATOM 601 O CYS B 19 0.187 -11.347 -4.404 1.00 0.00 O ATOM 602 CB CYS B 19 0.329 -8.748 -3.246 1.00 0.00 C ATOM 603 SG CYS B 19 -0.367 -9.186 -1.632 1.00 0.00 S ATOM 0 H CYS B 19 2.325 -8.021 -4.729 1.00 0.00 H new ATOM 0 HA CYS B 19 1.917 -10.043 -2.582 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.591 -7.690 -3.266 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.412 -8.908 -4.029 1.00 0.00 H new ATOM 608 N GLY B 20 2.072 -10.960 -5.462 1.00 0.00 N ATOM 609 CA GLY B 20 1.787 -12.031 -6.459 1.00 0.00 C ATOM 610 C GLY B 20 1.563 -13.357 -5.732 1.00 0.00 C ATOM 611 O GLY B 20 0.849 -14.220 -6.201 1.00 0.00 O ATOM 0 H GLY B 20 2.954 -10.465 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY B 20 0.905 -11.772 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.619 -12.123 -7.158 1.00 0.00 H new ATOM 615 N GLU B 21 2.169 -13.524 -4.590 1.00 0.00 N ATOM 616 CA GLU B 21 1.992 -14.796 -3.834 1.00 0.00 C ATOM 617 C GLU B 21 0.759 -14.690 -2.933 1.00 0.00 C ATOM 618 O GLU B 21 0.449 -15.593 -2.183 1.00 0.00 O ATOM 619 CB GLU B 21 3.231 -15.053 -2.974 1.00 0.00 C ATOM 620 CG GLU B 21 3.433 -16.560 -2.810 1.00 0.00 C ATOM 621 CD GLU B 21 4.692 -16.818 -1.980 1.00 0.00 C ATOM 622 OE1 GLU B 21 4.627 -16.652 -0.773 1.00 0.00 O ATOM 623 OE2 GLU B 21 5.701 -17.177 -2.566 1.00 0.00 O ATOM 0 H GLU B 21 2.778 -12.836 -4.147 1.00 0.00 H new ATOM 0 HA GLU B 21 1.858 -15.619 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.109 -14.606 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.113 -14.583 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.565 -17.003 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.525 -17.034 -3.787 1.00 0.00 H new ATOM 630 N ARG B 22 0.052 -13.595 -3.002 1.00 0.00 N ATOM 631 CA ARG B 22 -1.160 -13.436 -2.150 1.00 0.00 C ATOM 632 C ARG B 22 -2.333 -12.978 -3.018 1.00 0.00 C ATOM 633 O ARG B 22 -3.462 -13.375 -2.813 1.00 0.00 O ATOM 634 CB ARG B 22 -0.888 -12.391 -1.064 1.00 0.00 C ATOM 635 CG ARG B 22 -0.846 -13.074 0.304 1.00 0.00 C ATOM 636 CD ARG B 22 0.609 -13.304 0.715 1.00 0.00 C ATOM 637 NE ARG B 22 0.732 -14.629 1.387 1.00 0.00 N ATOM 638 CZ ARG B 22 0.001 -14.899 2.434 1.00 0.00 C ATOM 639 NH1 ARG B 22 0.428 -14.585 3.627 1.00 0.00 N ATOM 640 NH2 ARG B 22 -1.156 -15.484 2.289 1.00 0.00 N ATOM 0 H ARG B 22 0.261 -12.804 -3.611 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.404 -14.389 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.058 -11.886 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.665 -11.627 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.351 -12.456 1.046 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -1.378 -14.024 0.264 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.256 -13.267 -0.162 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.938 -12.511 1.387 1.00 0.00 H new ATOM 0 HE ARG B 22 1.387 -15.324 1.029 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.333 -14.129 3.741 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.143 -14.796 4.445 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -1.490 -15.731 1.357 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -1.727 -15.695 3.107 1.00 0.00 H new ATOM 654 N GLY B 23 -2.074 -12.145 -3.990 1.00 0.00 N ATOM 655 CA GLY B 23 -3.174 -11.663 -4.872 1.00 0.00 C ATOM 656 C GLY B 23 -3.915 -10.513 -4.187 1.00 0.00 C ATOM 657 O GLY B 23 -4.503 -10.680 -3.137 1.00 0.00 O ATOM 0 H GLY B 23 -1.148 -11.778 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.768 -11.330 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.865 -12.478 -5.086 1.00 0.00 H new ATOM 661 N PHE B 24 -3.891 -9.347 -4.773 1.00 0.00 N ATOM 662 CA PHE B 24 -4.596 -8.190 -4.153 1.00 0.00 C ATOM 663 C PHE B 24 -5.556 -7.573 -5.172 1.00 0.00 C ATOM 664 O PHE B 24 -5.626 -7.994 -6.309 1.00 0.00 O ATOM 665 CB PHE B 24 -3.569 -7.142 -3.716 1.00 0.00 C ATOM 666 CG PHE B 24 -2.999 -6.452 -4.931 1.00 0.00 C ATOM 667 CD1 PHE B 24 -1.868 -6.976 -5.569 1.00 0.00 C ATOM 668 CD2 PHE B 24 -3.602 -5.285 -5.422 1.00 0.00 C ATOM 669 CE1 PHE B 24 -1.338 -6.335 -6.697 1.00 0.00 C ATOM 670 CE2 PHE B 24 -3.072 -4.644 -6.551 1.00 0.00 C ATOM 671 CZ PHE B 24 -1.941 -5.169 -7.188 1.00 0.00 C ATOM 0 H PHE B 24 -3.415 -9.146 -5.652 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.159 -8.530 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.038 -6.411 -3.057 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.770 -7.617 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.404 -7.875 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.474 -4.880 -4.931 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.465 -6.739 -7.188 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.536 -3.745 -6.929 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.533 -4.675 -8.058 1.00 0.00 H new ATOM 681 N PHE B 25 -6.296 -6.576 -4.772 1.00 0.00 N ATOM 682 CA PHE B 25 -7.250 -5.931 -5.716 1.00 0.00 C ATOM 683 C PHE B 25 -7.966 -4.778 -5.007 1.00 0.00 C ATOM 684 O PHE B 25 -9.108 -4.475 -5.292 1.00 0.00 O ATOM 685 CB PHE B 25 -8.280 -6.964 -6.180 1.00 0.00 C ATOM 686 CG PHE B 25 -8.286 -7.026 -7.688 1.00 0.00 C ATOM 687 CD1 PHE B 25 -8.604 -5.885 -8.435 1.00 0.00 C ATOM 688 CD2 PHE B 25 -7.975 -8.227 -8.341 1.00 0.00 C ATOM 689 CE1 PHE B 25 -8.611 -5.943 -9.835 1.00 0.00 C ATOM 690 CE2 PHE B 25 -7.981 -8.284 -9.741 1.00 0.00 C ATOM 691 CZ PHE B 25 -8.299 -7.142 -10.488 1.00 0.00 C ATOM 0 H PHE B 25 -6.281 -6.180 -3.832 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.707 -5.545 -6.579 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.040 -7.943 -5.766 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.271 -6.696 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.844 -4.960 -7.932 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.731 -9.108 -7.765 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.857 -5.063 -10.411 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.740 -9.209 -10.245 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.304 -7.186 -11.567 1.00 0.00 H new ATOM 701 N TYR B 26 -7.301 -4.134 -4.086 1.00 0.00 N ATOM 702 CA TYR B 26 -7.939 -3.002 -3.357 1.00 0.00 C ATOM 703 C TYR B 26 -9.376 -3.376 -2.989 1.00 0.00 C ATOM 704 O TYR B 26 -10.307 -2.641 -3.251 1.00 0.00 O ATOM 705 CB TYR B 26 -7.944 -1.757 -4.247 1.00 0.00 C ATOM 706 CG TYR B 26 -6.572 -1.562 -4.849 1.00 0.00 C ATOM 707 CD1 TYR B 26 -5.429 -1.704 -4.050 1.00 0.00 C ATOM 708 CD2 TYR B 26 -6.440 -1.238 -6.207 1.00 0.00 C ATOM 709 CE1 TYR B 26 -4.156 -1.523 -4.607 1.00 0.00 C ATOM 710 CE2 TYR B 26 -5.167 -1.057 -6.764 1.00 0.00 C ATOM 711 CZ TYR B 26 -4.026 -1.200 -5.965 1.00 0.00 C ATOM 712 OH TYR B 26 -2.772 -1.021 -6.513 1.00 0.00 O ATOM 0 H TYR B 26 -6.343 -4.344 -3.807 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.376 -2.793 -2.448 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.687 -1.865 -5.037 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.224 -0.881 -3.663 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.530 -1.953 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.320 -1.128 -6.824 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.276 -1.632 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.066 -0.807 -7.810 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.091 -1.154 -5.821 1.00 0.00 H new ATOM 722 N THR B 27 -9.562 -4.517 -2.384 1.00 0.00 N ATOM 723 CA THR B 27 -10.938 -4.943 -1.998 1.00 0.00 C ATOM 724 C THR B 27 -10.895 -6.381 -1.467 1.00 0.00 C ATOM 725 O THR B 27 -10.861 -7.321 -2.237 1.00 0.00 O ATOM 726 CB THR B 27 -11.851 -4.884 -3.226 1.00 0.00 C ATOM 727 OG1 THR B 27 -13.107 -5.468 -2.908 1.00 0.00 O ATOM 728 CG2 THR B 27 -11.207 -5.654 -4.380 1.00 0.00 C ATOM 0 H THR B 27 -8.820 -5.173 -2.140 1.00 0.00 H new ATOM 0 HA THR B 27 -11.322 -4.278 -1.224 1.00 0.00 H new ATOM 0 HB THR B 27 -11.997 -3.845 -3.522 1.00 0.00 H new ATOM 0 HG1 THR B 27 -13.693 -5.430 -3.692 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.857 -5.612 -5.254 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.243 -5.206 -4.623 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.061 -6.694 -4.087 1.00 0.00 H new ATOM 736 N PRO B 28 -10.895 -6.511 -0.163 1.00 0.00 N ATOM 737 CA PRO B 28 -10.856 -7.826 0.501 1.00 0.00 C ATOM 738 C PRO B 28 -12.236 -8.489 0.461 1.00 0.00 C ATOM 739 O PRO B 28 -13.120 -8.151 1.224 1.00 0.00 O ATOM 740 CB PRO B 28 -10.452 -7.491 1.939 1.00 0.00 C ATOM 741 CG PRO B 28 -10.832 -6.008 2.164 1.00 0.00 C ATOM 742 CD PRO B 28 -10.937 -5.365 0.768 1.00 0.00 C ATOM 0 HA PRO B 28 -10.171 -8.526 0.023 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.970 -8.137 2.648 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -9.383 -7.645 2.088 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.778 -5.927 2.700 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.079 -5.502 2.768 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -11.861 -4.797 0.659 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.115 -4.673 0.585 1.00 0.00 H new ATOM 750 N LYS B 29 -12.426 -9.430 -0.423 1.00 0.00 N ATOM 751 CA LYS B 29 -13.746 -10.114 -0.511 1.00 0.00 C ATOM 752 C LYS B 29 -14.860 -9.069 -0.588 1.00 0.00 C ATOM 753 O LYS B 29 -14.607 -7.887 -0.721 1.00 0.00 O ATOM 754 CB LYS B 29 -13.952 -10.989 0.727 1.00 0.00 C ATOM 755 CG LYS B 29 -12.690 -11.815 0.984 1.00 0.00 C ATOM 756 CD LYS B 29 -12.793 -13.147 0.238 1.00 0.00 C ATOM 757 CE LYS B 29 -12.226 -14.267 1.113 1.00 0.00 C ATOM 758 NZ LYS B 29 -10.823 -13.939 1.493 1.00 0.00 N ATOM 0 H LYS B 29 -11.724 -9.754 -1.088 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.771 -10.738 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.174 -10.366 1.593 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.808 -11.648 0.581 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.809 -11.266 0.651 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.570 -11.993 2.053 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.833 -13.357 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -12.245 -13.093 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.837 -14.389 2.007 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.256 -15.214 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.335 -14.805 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.327 -13.533 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.826 -13.250 2.272 1.00 0.00 H new ATOM 772 N THR B 30 -16.091 -9.493 -0.506 1.00 0.00 N ATOM 773 CA THR B 30 -17.220 -8.523 -0.574 1.00 0.00 C ATOM 774 C THR B 30 -18.274 -8.894 0.471 1.00 0.00 C ATOM 775 O THR B 30 -18.740 -7.981 1.184 1.00 0.00 O ATOM 776 CB THR B 30 -17.847 -8.567 -1.970 1.00 0.00 C ATOM 777 OG1 THR B 30 -19.190 -8.112 -1.898 1.00 0.00 O ATOM 778 CG2 THR B 30 -17.818 -10.002 -2.498 1.00 0.00 C ATOM 779 OXT THR B 30 -18.629 -10.089 0.571 1.00 0.00 O ATOM 0 H THR B 30 -16.364 -10.470 -0.395 1.00 0.00 H new ATOM 0 HA THR B 30 -16.849 -7.518 -0.374 1.00 0.00 H new ATOM 0 HB THR B 30 -17.282 -7.924 -2.644 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.593 -8.138 -2.791 1.00 0.00 H new ATOM 0 HG21 THR B 30 -18.264 -10.033 -3.492 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.786 -10.349 -2.553 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.383 -10.648 -1.826 1.00 0.00 H new TER 787 THR B 30