USER MOD reduce.3.24.130724 H: found=0, std=0, add=1056, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1054 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 5 LYS NZ :NH3+ -141:sc= 0.107 (180deg=0.00157) USER MOD Set 1.2: A 55 SER OG : rot -18:sc= 0.14 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00646) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 179:sc= -0.174 (180deg=-0.175) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -125:sc= 0.0647 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= 1.12 (180deg=0.885) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -55:sc= 0.175 USER MOD Single : A 41 HIS : no HD1:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 2.02 K(o=2,f=-6!) USER MOD Single : A 65 ASN : amide:sc= 0.0474 X(o=0.047,f=0) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 2 CYS SG : rot -92:sc= 0.612 USER MOD Single : B 3 MET CE :methyl -121:sc=-0.00262 (180deg=-0.12) USER MOD Single : B 5 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.23) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B -3 GLY N :NH3+ -126:sc= 0.0764 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0.446 USER MOD Single : B 35 THR OG1 : rot -60:sc= 0.306 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0079) USER MOD Single : B 65 ASN : amide:sc= 0.983 K(o=0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -0.209 0.998 -11.475 1.00 0.00 N ATOM 2 CA GLY A -3 -0.186 2.454 -11.209 1.00 0.00 C ATOM 3 C GLY A -3 1.093 2.894 -10.505 1.00 0.00 C ATOM 4 O GLY A -3 2.089 2.167 -10.535 1.00 0.00 O ATOM 0 H1 GLY A -3 -0.371 0.833 -12.489 1.00 0.00 H new ATOM 0 H2 GLY A -3 0.702 0.580 -11.198 1.00 0.00 H new ATOM 0 H3 GLY A -3 -0.974 0.557 -10.926 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -0.284 2.995 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -1.046 2.723 -10.596 1.00 0.00 H new ATOM 10 N PRO A -2 1.101 4.087 -9.875 1.00 0.00 N ATOM 11 CA PRO A -2 2.263 4.645 -9.172 1.00 0.00 C ATOM 12 C PRO A -2 2.772 3.782 -8.001 1.00 0.00 C ATOM 13 O PRO A -2 2.002 3.057 -7.361 1.00 0.00 O ATOM 14 CB PRO A -2 1.832 6.036 -8.698 1.00 0.00 C ATOM 15 CG PRO A -2 0.712 6.416 -9.666 1.00 0.00 C ATOM 16 CD PRO A -2 0.027 5.073 -9.915 1.00 0.00 C ATOM 0 HA PRO A -2 3.116 4.681 -9.850 1.00 0.00 H new ATOM 0 HB2 PRO A -2 1.481 6.017 -7.666 1.00 0.00 H new ATOM 0 HB3 PRO A -2 2.657 6.747 -8.741 1.00 0.00 H new ATOM 0 HG2 PRO A -2 0.029 7.146 -9.231 1.00 0.00 H new ATOM 0 HG3 PRO A -2 1.101 6.851 -10.587 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -0.726 4.867 -9.154 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -0.482 5.063 -10.879 1.00 0.00 H new ATOM 24 N GLY A -1 4.070 3.898 -7.694 1.00 0.00 N ATOM 25 CA GLY A -1 4.726 3.190 -6.585 1.00 0.00 C ATOM 26 C GLY A -1 4.561 3.839 -5.198 1.00 0.00 C ATOM 27 O GLY A -1 4.895 3.212 -4.189 1.00 0.00 O ATOM 0 H GLY A -1 4.707 4.498 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A -1 4.333 2.174 -6.541 1.00 0.00 H new ATOM 0 HA3 GLY A -1 5.790 3.110 -6.806 1.00 0.00 H new ATOM 31 N SER A 0 4.054 5.078 -5.136 1.00 0.00 N ATOM 32 CA SER A 0 3.832 5.866 -3.904 1.00 0.00 C ATOM 33 C SER A 0 5.088 6.066 -3.026 1.00 0.00 C ATOM 34 O SER A 0 4.992 6.251 -1.810 1.00 0.00 O ATOM 35 CB SER A 0 2.636 5.327 -3.100 1.00 0.00 C ATOM 36 OG SER A 0 1.457 5.253 -3.898 1.00 0.00 O ATOM 0 H SER A 0 3.774 5.585 -5.976 1.00 0.00 H new ATOM 0 HA SER A 0 3.585 6.870 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.875 4.337 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 0 2.454 5.972 -2.241 1.00 0.00 H new ATOM 0 HG SER A 0 0.717 4.905 -3.357 1.00 0.00 H new ATOM 42 N MET A 1 6.277 6.019 -3.633 1.00 0.00 N ATOM 43 CA MET A 1 7.575 6.202 -2.961 1.00 0.00 C ATOM 44 C MET A 1 7.796 7.655 -2.499 1.00 0.00 C ATOM 45 O MET A 1 7.534 8.597 -3.256 1.00 0.00 O ATOM 46 CB MET A 1 8.715 5.778 -3.903 1.00 0.00 C ATOM 47 CG MET A 1 8.668 4.293 -4.285 1.00 0.00 C ATOM 48 SD MET A 1 9.831 3.797 -5.594 1.00 0.00 S ATOM 49 CE MET A 1 11.421 4.009 -4.744 1.00 0.00 C ATOM 0 H MET A 1 6.370 5.848 -4.634 1.00 0.00 H new ATOM 0 HA MET A 1 7.571 5.573 -2.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.670 6.381 -4.810 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.671 5.993 -3.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.872 3.698 -3.395 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.656 4.048 -4.607 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.232 3.709 -5.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.548 5.055 -4.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.439 3.390 -3.847 1.00 0.00 H new ATOM 59 N CYS A 2 8.319 7.840 -1.281 1.00 0.00 N ATOM 60 CA CYS A 2 8.723 9.140 -0.719 1.00 0.00 C ATOM 61 C CYS A 2 9.819 8.990 0.364 1.00 0.00 C ATOM 62 O CYS A 2 9.944 7.941 1.007 1.00 0.00 O ATOM 63 CB CYS A 2 7.493 9.883 -0.168 1.00 0.00 C ATOM 64 SG CYS A 2 6.697 8.987 1.206 1.00 0.00 S ATOM 0 H CYS A 2 8.479 7.066 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 2 9.158 9.732 -1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 2 7.793 10.874 0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.770 10.028 -0.971 1.00 0.00 H new ATOM 0 HG CYS A 2 5.670 9.663 1.628 1.00 0.00 H new ATOM 70 N MET A 3 10.605 10.049 0.580 1.00 0.00 N ATOM 71 CA MET A 3 11.629 10.131 1.640 1.00 0.00 C ATOM 72 C MET A 3 10.979 10.406 3.008 1.00 0.00 C ATOM 73 O MET A 3 11.229 9.687 3.978 1.00 0.00 O ATOM 74 CB MET A 3 12.668 11.221 1.312 1.00 0.00 C ATOM 75 CG MET A 3 13.514 10.937 0.058 1.00 0.00 C ATOM 76 SD MET A 3 12.679 11.009 -1.558 1.00 0.00 S ATOM 77 CE MET A 3 12.177 12.751 -1.618 1.00 0.00 C ATOM 0 H MET A 3 10.550 10.895 0.013 1.00 0.00 H new ATOM 0 HA MET A 3 12.140 9.170 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.150 12.171 1.178 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.335 11.339 2.166 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.339 11.649 0.041 1.00 0.00 H new ATOM 0 HG3 MET A 3 13.951 9.944 0.166 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.668 12.951 -2.561 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.502 12.964 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.059 13.387 -1.540 1.00 0.00 H new ATOM 87 N ALA A 4 10.113 11.425 3.070 1.00 0.00 N ATOM 88 CA ALA A 4 9.199 11.720 4.171 1.00 0.00 C ATOM 89 C ALA A 4 7.989 12.528 3.673 1.00 0.00 C ATOM 90 O ALA A 4 7.981 13.037 2.546 1.00 0.00 O ATOM 91 CB ALA A 4 9.954 12.480 5.272 1.00 0.00 C ATOM 0 H ALA A 4 10.030 12.100 2.310 1.00 0.00 H new ATOM 0 HA ALA A 4 8.821 10.784 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.273 12.701 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.778 11.867 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.347 13.412 4.866 1.00 0.00 H new ATOM 97 N LYS A 5 6.988 12.673 4.540 1.00 0.00 N ATOM 98 CA LYS A 5 5.755 13.444 4.309 1.00 0.00 C ATOM 99 C LYS A 5 5.332 14.213 5.566 1.00 0.00 C ATOM 100 O LYS A 5 5.258 13.644 6.657 1.00 0.00 O ATOM 101 CB LYS A 5 4.647 12.533 3.737 1.00 0.00 C ATOM 102 CG LYS A 5 4.340 11.263 4.553 1.00 0.00 C ATOM 103 CD LYS A 5 3.344 10.363 3.802 1.00 0.00 C ATOM 104 CE LYS A 5 3.000 9.065 4.555 1.00 0.00 C ATOM 105 NZ LYS A 5 4.128 8.095 4.600 1.00 0.00 N1+ ATOM 0 H LYS A 5 7.009 12.240 5.463 1.00 0.00 H new ATOM 0 HA LYS A 5 5.949 14.206 3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.731 13.117 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.932 12.235 2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.263 10.714 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.928 11.539 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.426 10.923 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.760 10.109 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.701 9.312 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.142 8.592 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.761 7.130 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.800 8.308 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.613 8.169 5.517 1.00 0.00 H new ATOM 119 N VAL A 6 5.076 15.510 5.405 1.00 0.00 N ATOM 120 CA VAL A 6 4.684 16.442 6.479 1.00 0.00 C ATOM 121 C VAL A 6 3.168 16.666 6.474 1.00 0.00 C ATOM 122 O VAL A 6 2.539 16.730 5.414 1.00 0.00 O ATOM 123 CB VAL A 6 5.471 17.770 6.383 1.00 0.00 C ATOM 124 CG1 VAL A 6 4.871 18.945 7.167 1.00 0.00 C ATOM 125 CG2 VAL A 6 6.907 17.595 6.868 1.00 0.00 C ATOM 0 H VAL A 6 5.136 15.964 4.494 1.00 0.00 H new ATOM 0 HA VAL A 6 4.943 15.992 7.437 1.00 0.00 H new ATOM 0 HB VAL A 6 5.422 18.017 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.496 19.828 7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.867 19.153 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.823 18.690 8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.436 18.545 6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.903 17.268 7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.410 16.847 6.254 1.00 0.00 H new ATOM 135 N VAL A 7 2.581 16.823 7.664 1.00 0.00 N ATOM 136 CA VAL A 7 1.162 17.168 7.875 1.00 0.00 C ATOM 137 C VAL A 7 1.007 18.219 8.980 1.00 0.00 C ATOM 138 O VAL A 7 1.700 18.179 10.004 1.00 0.00 O ATOM 139 CB VAL A 7 0.314 15.898 8.113 1.00 0.00 C ATOM 140 CG1 VAL A 7 0.751 15.083 9.344 1.00 0.00 C ATOM 141 CG2 VAL A 7 -1.177 16.226 8.276 1.00 0.00 C ATOM 0 H VAL A 7 3.093 16.711 8.539 1.00 0.00 H new ATOM 0 HA VAL A 7 0.774 17.628 6.966 1.00 0.00 H new ATOM 0 HB VAL A 7 0.479 15.296 7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.110 14.207 9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.786 14.763 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.667 15.701 10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.736 15.305 8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.312 16.891 9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.543 16.715 7.373 1.00 0.00 H new ATOM 151 N LEU A 8 0.100 19.173 8.761 1.00 0.00 N ATOM 152 CA LEU A 8 -0.178 20.305 9.647 1.00 0.00 C ATOM 153 C LEU A 8 -1.619 20.823 9.491 1.00 0.00 C ATOM 154 O LEU A 8 -2.273 20.590 8.473 1.00 0.00 O ATOM 155 CB LEU A 8 0.860 21.415 9.385 1.00 0.00 C ATOM 156 CG LEU A 8 0.785 22.091 7.993 1.00 0.00 C ATOM 157 CD1 LEU A 8 -0.029 23.390 8.003 1.00 0.00 C ATOM 158 CD2 LEU A 8 2.182 22.438 7.479 1.00 0.00 C ATOM 0 H LEU A 8 -0.486 19.178 7.926 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.092 19.971 10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.743 22.184 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.857 20.992 9.509 1.00 0.00 H new ATOM 0 HG LEU A 8 0.294 21.365 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.045 23.817 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.049 23.178 8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.428 24.100 8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.102 22.911 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.666 23.123 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.775 21.527 7.394 1.00 0.00 H new ATOM 170 N THR A 9 -2.084 21.590 10.479 1.00 0.00 N ATOM 171 CA THR A 9 -3.330 22.373 10.418 1.00 0.00 C ATOM 172 C THR A 9 -3.027 23.851 10.673 1.00 0.00 C ATOM 173 O THR A 9 -2.399 24.201 11.674 1.00 0.00 O ATOM 174 CB THR A 9 -4.387 21.852 11.408 1.00 0.00 C ATOM 175 OG1 THR A 9 -4.589 20.462 11.244 1.00 0.00 O ATOM 176 CG2 THR A 9 -5.754 22.510 11.208 1.00 0.00 C ATOM 0 H THR A 9 -1.595 21.690 11.369 1.00 0.00 H new ATOM 0 HA THR A 9 -3.750 22.261 9.418 1.00 0.00 H new ATOM 0 HB THR A 9 -3.998 22.091 12.398 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.263 20.152 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.462 22.106 11.932 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.664 23.587 11.351 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.112 22.306 10.199 1.00 0.00 H new ATOM 184 N LYS A 10 -3.465 24.719 9.754 1.00 0.00 N ATOM 185 CA LYS A 10 -3.297 26.184 9.817 1.00 0.00 C ATOM 186 C LYS A 10 -4.192 26.824 10.887 1.00 0.00 C ATOM 187 O LYS A 10 -5.198 26.249 11.305 1.00 0.00 O ATOM 188 CB LYS A 10 -3.627 26.775 8.440 1.00 0.00 C ATOM 189 CG LYS A 10 -2.659 26.363 7.319 1.00 0.00 C ATOM 190 CD LYS A 10 -3.026 27.077 6.007 1.00 0.00 C ATOM 191 CE LYS A 10 -4.347 26.558 5.420 1.00 0.00 C ATOM 192 NZ LYS A 10 -5.001 27.585 4.572 1.00 0.00 N1+ ATOM 0 H LYS A 10 -3.963 24.416 8.917 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.265 26.400 10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.636 26.471 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.631 27.862 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.636 26.612 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.696 25.283 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.106 28.149 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.226 26.935 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.157 25.662 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.018 26.270 6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.706 27.130 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.472 28.287 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.284 28.059 3.986 1.00 0.00 H new ATOM 206 N ALA A 11 -3.882 28.066 11.263 1.00 0.00 N ATOM 207 CA ALA A 11 -4.682 28.870 12.193 1.00 0.00 C ATOM 208 C ALA A 11 -6.102 29.203 11.674 1.00 0.00 C ATOM 209 O ALA A 11 -7.011 29.438 12.472 1.00 0.00 O ATOM 210 CB ALA A 11 -3.898 30.151 12.511 1.00 0.00 C ATOM 0 H ALA A 11 -3.052 28.552 10.924 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.846 28.278 13.093 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.473 30.767 13.202 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.943 29.889 12.966 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.721 30.707 11.590 1.00 0.00 H new ATOM 216 N ASP A 12 -6.315 29.194 10.352 1.00 0.00 N ATOM 217 CA ASP A 12 -7.631 29.331 9.711 1.00 0.00 C ATOM 218 C ASP A 12 -8.476 28.027 9.718 1.00 0.00 C ATOM 219 O ASP A 12 -9.596 28.002 9.201 1.00 0.00 O ATOM 220 CB ASP A 12 -7.454 29.917 8.291 1.00 0.00 C ATOM 221 CG ASP A 12 -6.745 29.010 7.269 1.00 0.00 C ATOM 222 OD1 ASP A 12 -6.632 27.783 7.484 1.00 0.00 O ATOM 223 OD2 ASP A 12 -6.292 29.523 6.216 1.00 0.00 O1- ATOM 0 H ASP A 12 -5.556 29.088 9.679 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.217 30.027 10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.439 30.171 7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.893 30.848 8.371 1.00 0.00 H new ATOM 228 N GLY A 13 -7.947 26.943 10.304 1.00 0.00 N ATOM 229 CA GLY A 13 -8.575 25.622 10.406 1.00 0.00 C ATOM 230 C GLY A 13 -8.312 24.681 9.213 1.00 0.00 C ATOM 231 O GLY A 13 -8.743 23.526 9.245 1.00 0.00 O ATOM 0 H GLY A 13 -7.025 26.967 10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.221 25.138 11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.651 25.755 10.514 1.00 0.00 H new ATOM 235 N GLY A 14 -7.618 25.134 8.163 1.00 0.00 N ATOM 236 CA GLY A 14 -7.324 24.337 6.970 1.00 0.00 C ATOM 237 C GLY A 14 -6.218 23.300 7.196 1.00 0.00 C ATOM 238 O GLY A 14 -5.095 23.650 7.574 1.00 0.00 O ATOM 0 H GLY A 14 -7.239 26.080 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.232 23.827 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.029 25.003 6.159 1.00 0.00 H new ATOM 242 N ARG A 15 -6.515 22.028 6.914 1.00 0.00 N ATOM 243 CA ARG A 15 -5.536 20.925 6.854 1.00 0.00 C ATOM 244 C ARG A 15 -4.661 21.021 5.602 1.00 0.00 C ATOM 245 O ARG A 15 -5.139 21.370 4.518 1.00 0.00 O ATOM 246 CB ARG A 15 -6.263 19.569 6.908 1.00 0.00 C ATOM 247 CG ARG A 15 -6.355 19.028 8.343 1.00 0.00 C ATOM 248 CD ARG A 15 -5.057 18.354 8.823 1.00 0.00 C ATOM 249 NE ARG A 15 -4.721 17.163 8.026 1.00 0.00 N ATOM 250 CZ ARG A 15 -5.076 15.912 8.247 1.00 0.00 C ATOM 251 NH1 ARG A 15 -5.749 15.527 9.293 1.00 0.00 N1+ ATOM 252 NH2 ARG A 15 -4.747 15.018 7.366 1.00 0.00 N ATOM 0 H ARG A 15 -7.468 21.723 6.715 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.879 21.008 7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.266 19.678 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.737 18.849 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.602 19.848 9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.173 18.310 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.236 19.069 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.163 18.070 9.870 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.143 17.325 7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.031 16.209 9.997 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.994 14.544 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.228 15.291 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.007 14.042 7.508 1.00 0.00 H new ATOM 266 N VAL A 16 -3.379 20.693 5.761 1.00 0.00 N ATOM 267 CA VAL A 16 -2.335 20.768 4.717 1.00 0.00 C ATOM 268 C VAL A 16 -1.381 19.576 4.822 1.00 0.00 C ATOM 269 O VAL A 16 -0.968 19.194 5.918 1.00 0.00 O ATOM 270 CB VAL A 16 -1.558 22.107 4.814 1.00 0.00 C ATOM 271 CG1 VAL A 16 -0.391 22.199 3.817 1.00 0.00 C ATOM 272 CG2 VAL A 16 -2.451 23.334 4.584 1.00 0.00 C ATOM 0 H VAL A 16 -3.016 20.354 6.652 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.822 20.729 3.742 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.174 22.112 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.113 23.158 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.316 21.392 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.774 22.112 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.851 24.241 4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.895 23.280 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.242 23.354 5.334 1.00 0.00 H new ATOM 282 N GLU A 17 -0.997 19.008 3.676 1.00 0.00 N ATOM 283 CA GLU A 17 -0.002 17.933 3.552 1.00 0.00 C ATOM 284 C GLU A 17 1.068 18.286 2.503 1.00 0.00 C ATOM 285 O GLU A 17 0.771 18.940 1.498 1.00 0.00 O ATOM 286 CB GLU A 17 -0.662 16.588 3.199 1.00 0.00 C ATOM 287 CG GLU A 17 -1.587 16.021 4.282 1.00 0.00 C ATOM 288 CD GLU A 17 -2.994 16.650 4.346 1.00 0.00 C ATOM 289 OE1 GLU A 17 -3.549 17.074 3.305 1.00 0.00 O ATOM 290 OE2 GLU A 17 -3.586 16.659 5.451 1.00 0.00 O1- ATOM 0 H GLU A 17 -1.382 19.292 2.775 1.00 0.00 H new ATOM 0 HA GLU A 17 0.481 17.831 4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.235 16.711 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.121 15.859 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.694 14.949 4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.105 16.150 5.251 1.00 0.00 H new ATOM 297 N ILE A 18 2.305 17.827 2.721 1.00 0.00 N ATOM 298 CA ILE A 18 3.465 18.049 1.841 1.00 0.00 C ATOM 299 C ILE A 18 4.189 16.710 1.632 1.00 0.00 C ATOM 300 O ILE A 18 4.663 16.111 2.598 1.00 0.00 O ATOM 301 CB ILE A 18 4.421 19.117 2.440 1.00 0.00 C ATOM 302 CG1 ILE A 18 3.715 20.460 2.739 1.00 0.00 C ATOM 303 CG2 ILE A 18 5.634 19.347 1.520 1.00 0.00 C ATOM 304 CD1 ILE A 18 4.525 21.381 3.659 1.00 0.00 C ATOM 0 H ILE A 18 2.538 17.270 3.544 1.00 0.00 H new ATOM 0 HA ILE A 18 3.125 18.430 0.878 1.00 0.00 H new ATOM 0 HB ILE A 18 4.764 18.718 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.520 20.977 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.747 20.259 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.288 20.099 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.183 18.413 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.291 19.692 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.972 22.305 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.697 20.882 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.482 21.611 3.192 1.00 0.00 H new ATOM 316 N GLY A 19 4.267 16.237 0.387 1.00 0.00 N ATOM 317 CA GLY A 19 4.995 15.021 0.002 1.00 0.00 C ATOM 318 C GLY A 19 6.446 15.265 -0.422 1.00 0.00 C ATOM 319 O GLY A 19 6.855 16.401 -0.669 1.00 0.00 O ATOM 0 H GLY A 19 3.815 16.698 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.986 14.325 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.465 14.538 -0.819 1.00 0.00 H new ATOM 323 N ASP A 20 7.220 14.181 -0.544 1.00 0.00 N ATOM 324 CA ASP A 20 8.608 14.165 -1.039 1.00 0.00 C ATOM 325 C ASP A 20 9.560 15.123 -0.283 1.00 0.00 C ATOM 326 O ASP A 20 10.377 15.833 -0.871 1.00 0.00 O ATOM 327 CB ASP A 20 8.655 14.291 -2.573 1.00 0.00 C ATOM 328 CG ASP A 20 7.834 13.233 -3.337 1.00 0.00 C ATOM 329 OD1 ASP A 20 7.454 12.189 -2.754 1.00 0.00 O ATOM 330 OD2 ASP A 20 7.600 13.413 -4.555 1.00 0.00 O1- ATOM 0 H ASP A 20 6.886 13.251 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 20 9.017 13.183 -0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.295 15.281 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.694 14.227 -2.897 1.00 0.00 H new ATOM 335 N VAL A 21 9.419 15.163 1.044 1.00 0.00 N ATOM 336 CA VAL A 21 10.167 16.044 1.958 1.00 0.00 C ATOM 337 C VAL A 21 11.624 15.604 2.121 1.00 0.00 C ATOM 338 O VAL A 21 11.898 14.436 2.401 1.00 0.00 O ATOM 339 CB VAL A 21 9.452 16.118 3.320 1.00 0.00 C ATOM 340 CG1 VAL A 21 10.251 16.876 4.387 1.00 0.00 C ATOM 341 CG2 VAL A 21 8.080 16.783 3.163 1.00 0.00 C ATOM 0 H VAL A 21 8.757 14.562 1.535 1.00 0.00 H new ATOM 0 HA VAL A 21 10.191 17.041 1.517 1.00 0.00 H new ATOM 0 HB VAL A 21 9.346 15.088 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.689 16.890 5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.208 16.379 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.425 17.899 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.585 16.829 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.208 17.793 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.470 16.201 2.472 1.00 0.00 H new ATOM 351 N LEU A 22 12.554 16.551 1.975 1.00 0.00 N ATOM 352 CA LEU A 22 13.996 16.367 2.205 1.00 0.00 C ATOM 353 C LEU A 22 14.457 16.853 3.587 1.00 0.00 C ATOM 354 O LEU A 22 15.352 16.258 4.187 1.00 0.00 O ATOM 355 CB LEU A 22 14.780 17.121 1.116 1.00 0.00 C ATOM 356 CG LEU A 22 14.565 16.627 -0.323 1.00 0.00 C ATOM 357 CD1 LEU A 22 15.366 17.509 -1.279 1.00 0.00 C ATOM 358 CD2 LEU A 22 15.011 15.178 -0.522 1.00 0.00 C ATOM 0 H LEU A 22 12.320 17.500 1.684 1.00 0.00 H new ATOM 0 HA LEU A 22 14.192 15.296 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.508 18.176 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.843 17.055 1.348 1.00 0.00 H new ATOM 0 HG LEU A 22 13.495 16.682 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.218 17.164 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.028 18.541 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 22 16.425 17.452 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.836 14.882 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.073 15.090 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.442 14.528 0.142 1.00 0.00 H new ATOM 370 N GLU A 23 13.865 17.934 4.097 1.00 0.00 N ATOM 371 CA GLU A 23 14.316 18.624 5.311 1.00 0.00 C ATOM 372 C GLU A 23 13.177 19.433 5.962 1.00 0.00 C ATOM 373 O GLU A 23 12.363 20.032 5.263 1.00 0.00 O ATOM 374 CB GLU A 23 15.510 19.534 4.948 1.00 0.00 C ATOM 375 CG GLU A 23 16.085 20.313 6.139 1.00 0.00 C ATOM 376 CD GLU A 23 17.394 21.044 5.804 1.00 0.00 C ATOM 377 OE1 GLU A 23 17.681 21.347 4.624 1.00 0.00 O ATOM 378 OE2 GLU A 23 18.158 21.341 6.753 1.00 0.00 O1- ATOM 0 H GLU A 23 13.044 18.364 3.672 1.00 0.00 H new ATOM 0 HA GLU A 23 14.630 17.884 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.300 18.923 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.194 20.242 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.347 21.039 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.261 19.624 6.965 1.00 0.00 H new ATOM 385 N VAL A 24 13.147 19.479 7.297 1.00 0.00 N ATOM 386 CA VAL A 24 12.218 20.281 8.122 1.00 0.00 C ATOM 387 C VAL A 24 12.996 20.926 9.281 1.00 0.00 C ATOM 388 O VAL A 24 13.847 20.273 9.887 1.00 0.00 O ATOM 389 CB VAL A 24 11.043 19.439 8.668 1.00 0.00 C ATOM 390 CG1 VAL A 24 9.951 20.296 9.324 1.00 0.00 C ATOM 391 CG2 VAL A 24 10.396 18.532 7.613 1.00 0.00 C ATOM 0 H VAL A 24 13.797 18.936 7.865 1.00 0.00 H new ATOM 0 HA VAL A 24 11.786 21.054 7.486 1.00 0.00 H new ATOM 0 HB VAL A 24 11.503 18.806 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.152 19.651 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.377 20.852 10.159 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.547 20.994 8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.579 17.971 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.008 19.142 6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.141 17.838 7.224 1.00 0.00 H new ATOM 401 N ARG A 25 12.723 22.198 9.588 1.00 0.00 N ATOM 402 CA ARG A 25 13.374 22.989 10.653 1.00 0.00 C ATOM 403 C ARG A 25 12.350 23.754 11.497 1.00 0.00 C ATOM 404 O ARG A 25 11.361 24.242 10.954 1.00 0.00 O ATOM 405 CB ARG A 25 14.388 23.992 10.062 1.00 0.00 C ATOM 406 CG ARG A 25 15.535 23.339 9.277 1.00 0.00 C ATOM 407 CD ARG A 25 16.535 24.412 8.828 1.00 0.00 C ATOM 408 NE ARG A 25 17.584 23.847 7.960 1.00 0.00 N ATOM 409 CZ ARG A 25 18.650 24.468 7.481 1.00 0.00 C ATOM 410 NH1 ARG A 25 18.930 25.710 7.763 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 19.447 23.820 6.691 1.00 0.00 N ATOM 0 H ARG A 25 12.015 22.732 9.085 1.00 0.00 H new ATOM 0 HA ARG A 25 13.898 22.278 11.293 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.859 24.681 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.810 24.586 10.873 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.038 22.598 9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.140 22.811 8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.007 25.202 8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.994 24.871 9.703 1.00 0.00 H new ATOM 0 HE ARG A 25 17.476 22.867 7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.315 26.245 8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.764 26.147 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.247 22.849 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.274 24.281 6.311 1.00 0.00 H new ATOM 425 N ALA A 26 12.614 23.921 12.791 1.00 0.00 N ATOM 426 CA ALA A 26 11.826 24.731 13.716 1.00 0.00 C ATOM 427 C ALA A 26 12.703 25.821 14.351 1.00 0.00 C ATOM 428 O ALA A 26 13.851 25.566 14.732 1.00 0.00 O ATOM 429 CB ALA A 26 11.184 23.817 14.766 1.00 0.00 C ATOM 0 H ALA A 26 13.415 23.478 13.241 1.00 0.00 H new ATOM 0 HA ALA A 26 11.027 25.241 13.179 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.594 24.417 15.459 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.536 23.093 14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.964 23.290 15.315 1.00 0.00 H new ATOM 435 N GLU A 27 12.169 27.036 14.485 1.00 0.00 N ATOM 436 CA GLU A 27 12.905 28.195 15.016 1.00 0.00 C ATOM 437 C GLU A 27 11.956 29.170 15.736 1.00 0.00 C ATOM 438 O GLU A 27 11.018 29.693 15.131 1.00 0.00 O ATOM 439 CB GLU A 27 13.673 28.871 13.868 1.00 0.00 C ATOM 440 CG GLU A 27 14.680 29.909 14.384 1.00 0.00 C ATOM 441 CD GLU A 27 15.473 30.601 13.257 1.00 0.00 C ATOM 442 OE1 GLU A 27 16.587 31.119 13.531 1.00 0.00 O ATOM 443 OE2 GLU A 27 15.000 30.650 12.094 1.00 0.00 O1- ATOM 0 H GLU A 27 11.206 27.250 14.227 1.00 0.00 H new ATOM 0 HA GLU A 27 13.626 27.861 15.763 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.199 28.113 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.966 29.355 13.194 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.148 30.665 14.962 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.378 29.421 15.064 1.00 0.00 H new ATOM 450 N GLY A 28 12.194 29.411 17.030 1.00 0.00 N ATOM 451 CA GLY A 28 11.387 30.284 17.893 1.00 0.00 C ATOM 452 C GLY A 28 9.962 29.763 18.127 1.00 0.00 C ATOM 453 O GLY A 28 9.681 29.108 19.133 1.00 0.00 O ATOM 0 H GLY A 28 12.981 28.989 17.523 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.888 30.395 18.855 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.334 31.276 17.445 1.00 0.00 H new ATOM 457 N GLY A 29 9.077 30.037 17.167 1.00 0.00 N ATOM 458 CA GLY A 29 7.676 29.611 17.125 1.00 0.00 C ATOM 459 C GLY A 29 7.146 29.409 15.699 1.00 0.00 C ATOM 460 O GLY A 29 5.970 29.658 15.445 1.00 0.00 O ATOM 0 H GLY A 29 9.333 30.594 16.351 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.570 28.679 17.680 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.062 30.355 17.632 1.00 0.00 H new ATOM 464 N ALA A 30 8.010 29.020 14.754 1.00 0.00 N ATOM 465 CA ALA A 30 7.685 28.776 13.346 1.00 0.00 C ATOM 466 C ALA A 30 8.406 27.528 12.800 1.00 0.00 C ATOM 467 O ALA A 30 9.482 27.164 13.284 1.00 0.00 O ATOM 468 CB ALA A 30 8.059 30.027 12.535 1.00 0.00 C ATOM 0 H ALA A 30 8.996 28.860 14.960 1.00 0.00 H new ATOM 0 HA ALA A 30 6.616 28.581 13.256 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.824 29.863 11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.493 30.882 12.904 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.126 30.224 12.641 1.00 0.00 H new ATOM 474 N VAL A 31 7.840 26.907 11.758 1.00 0.00 N ATOM 475 CA VAL A 31 8.427 25.748 11.042 1.00 0.00 C ATOM 476 C VAL A 31 8.640 26.053 9.559 1.00 0.00 C ATOM 477 O VAL A 31 7.797 26.684 8.920 1.00 0.00 O ATOM 478 CB VAL A 31 7.593 24.463 11.245 1.00 0.00 C ATOM 479 CG1 VAL A 31 8.076 23.278 10.397 1.00 0.00 C ATOM 480 CG2 VAL A 31 7.670 24.015 12.710 1.00 0.00 C ATOM 0 H VAL A 31 6.941 27.196 11.374 1.00 0.00 H new ATOM 0 HA VAL A 31 9.408 25.564 11.480 1.00 0.00 H new ATOM 0 HB VAL A 31 6.579 24.724 10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.445 22.411 10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.019 23.540 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.108 23.041 10.657 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.080 23.109 12.845 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.708 23.815 12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.277 24.803 13.353 1.00 0.00 H new ATOM 490 N ARG A 32 9.770 25.591 9.010 1.00 0.00 N ATOM 491 CA ARG A 32 10.157 25.657 7.589 1.00 0.00 C ATOM 492 C ARG A 32 10.380 24.234 7.056 1.00 0.00 C ATOM 493 O ARG A 32 10.834 23.366 7.800 1.00 0.00 O ATOM 494 CB ARG A 32 11.437 26.497 7.409 1.00 0.00 C ATOM 495 CG ARG A 32 11.313 28.018 7.619 1.00 0.00 C ATOM 496 CD ARG A 32 10.892 28.445 9.031 1.00 0.00 C ATOM 497 NE ARG A 32 11.370 29.792 9.395 1.00 0.00 N ATOM 498 CZ ARG A 32 12.474 30.071 10.072 1.00 0.00 C ATOM 499 NH1 ARG A 32 13.365 29.177 10.383 1.00 0.00 N1+ ATOM 500 NH2 ARG A 32 12.736 31.275 10.481 1.00 0.00 N ATOM 0 H ARG A 32 10.484 25.133 9.577 1.00 0.00 H new ATOM 0 HA ARG A 32 9.356 26.136 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.189 26.120 8.102 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.816 26.324 6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.272 28.481 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.588 28.410 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.805 28.420 9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.275 27.723 9.752 1.00 0.00 H new ATOM 0 HE ARG A 32 10.797 30.582 9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.231 28.205 10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.198 29.447 10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.084 32.034 10.283 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.594 31.462 11.000 1.00 0.00 H new ATOM 514 N VAL A 33 10.091 23.978 5.780 1.00 0.00 N ATOM 515 CA VAL A 33 10.260 22.649 5.151 1.00 0.00 C ATOM 516 C VAL A 33 10.579 22.742 3.652 1.00 0.00 C ATOM 517 O VAL A 33 10.051 23.605 2.950 1.00 0.00 O ATOM 518 CB VAL A 33 9.097 21.679 5.496 1.00 0.00 C ATOM 519 CG1 VAL A 33 7.742 22.344 5.778 1.00 0.00 C ATOM 520 CG2 VAL A 33 8.865 20.562 4.471 1.00 0.00 C ATOM 0 H VAL A 33 9.730 24.686 5.141 1.00 0.00 H new ATOM 0 HA VAL A 33 11.146 22.197 5.596 1.00 0.00 H new ATOM 0 HB VAL A 33 9.471 21.247 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.001 21.578 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.839 23.021 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.423 22.906 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.034 19.936 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.630 21.001 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.766 19.954 4.385 1.00 0.00 H new ATOM 530 N THR A 34 11.435 21.836 3.166 1.00 0.00 N ATOM 531 CA THR A 34 11.969 21.786 1.787 1.00 0.00 C ATOM 532 C THR A 34 11.763 20.407 1.149 1.00 0.00 C ATOM 533 O THR A 34 11.831 19.375 1.825 1.00 0.00 O ATOM 534 CB THR A 34 13.462 22.169 1.785 1.00 0.00 C ATOM 535 OG1 THR A 34 13.656 23.441 2.370 1.00 0.00 O ATOM 536 CG2 THR A 34 14.093 22.227 0.390 1.00 0.00 C ATOM 0 H THR A 34 11.796 21.078 3.746 1.00 0.00 H new ATOM 0 HA THR A 34 11.416 22.507 1.186 1.00 0.00 H new ATOM 0 HB THR A 34 13.945 21.375 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.610 23.664 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.144 22.503 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.013 21.250 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.572 22.969 -0.215 1.00 0.00 H new ATOM 544 N THR A 35 11.516 20.381 -0.168 1.00 0.00 N ATOM 545 CA THR A 35 11.082 19.189 -0.922 1.00 0.00 C ATOM 546 C THR A 35 11.978 18.859 -2.124 1.00 0.00 C ATOM 547 O THR A 35 12.771 19.681 -2.591 1.00 0.00 O ATOM 548 CB THR A 35 9.632 19.343 -1.411 1.00 0.00 C ATOM 549 OG1 THR A 35 9.542 20.364 -2.384 1.00 0.00 O ATOM 550 CG2 THR A 35 8.639 19.658 -0.291 1.00 0.00 C ATOM 0 H THR A 35 11.614 21.208 -0.757 1.00 0.00 H new ATOM 0 HA THR A 35 11.160 18.361 -0.217 1.00 0.00 H new ATOM 0 HB THR A 35 9.363 18.375 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.908 21.197 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.637 19.753 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.651 18.852 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.920 20.594 0.192 1.00 0.00 H new ATOM 558 N LEU A 36 11.796 17.642 -2.659 1.00 0.00 N ATOM 559 CA LEU A 36 12.414 17.121 -3.892 1.00 0.00 C ATOM 560 C LEU A 36 12.228 18.034 -5.119 1.00 0.00 C ATOM 561 O LEU A 36 13.090 18.073 -5.999 1.00 0.00 O ATOM 562 CB LEU A 36 11.792 15.728 -4.120 1.00 0.00 C ATOM 563 CG LEU A 36 12.101 15.031 -5.461 1.00 0.00 C ATOM 564 CD1 LEU A 36 12.195 13.520 -5.272 1.00 0.00 C ATOM 565 CD2 LEU A 36 10.990 15.269 -6.488 1.00 0.00 C ATOM 0 H LEU A 36 11.181 16.956 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 36 13.496 17.072 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.124 15.073 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.710 15.822 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 36 13.044 15.449 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.413 13.046 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.991 13.291 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.248 13.142 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.242 14.763 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.049 14.875 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.887 16.338 -6.672 1.00 0.00 H new ATOM 577 N PHE A 37 11.125 18.781 -5.175 1.00 0.00 N ATOM 578 CA PHE A 37 10.784 19.709 -6.261 1.00 0.00 C ATOM 579 C PHE A 37 11.606 21.016 -6.245 1.00 0.00 C ATOM 580 O PHE A 37 11.369 21.904 -7.068 1.00 0.00 O ATOM 581 CB PHE A 37 9.274 20.002 -6.194 1.00 0.00 C ATOM 582 CG PHE A 37 8.405 18.761 -6.087 1.00 0.00 C ATOM 583 CD1 PHE A 37 8.304 17.872 -7.173 1.00 0.00 C ATOM 584 CD2 PHE A 37 7.716 18.477 -4.890 1.00 0.00 C ATOM 585 CE1 PHE A 37 7.508 16.718 -7.073 1.00 0.00 C ATOM 586 CE2 PHE A 37 6.929 17.316 -4.782 1.00 0.00 C ATOM 587 CZ PHE A 37 6.819 16.443 -5.879 1.00 0.00 C ATOM 0 H PHE A 37 10.417 18.758 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 37 11.041 19.228 -7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.077 20.645 -5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.983 20.560 -7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.841 18.077 -8.088 1.00 0.00 H new ATOM 0 HD2 PHE A 37 7.793 19.154 -4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.426 16.043 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.411 17.096 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.203 15.559 -5.804 1.00 0.00 H new ATOM 597 N ASP A 38 12.551 21.154 -5.303 1.00 0.00 N ATOM 598 CA ASP A 38 13.262 22.395 -4.954 1.00 0.00 C ATOM 599 C ASP A 38 12.317 23.517 -4.454 1.00 0.00 C ATOM 600 O ASP A 38 12.665 24.704 -4.450 1.00 0.00 O ATOM 601 CB ASP A 38 14.227 22.816 -6.083 1.00 0.00 C ATOM 602 CG ASP A 38 15.318 23.811 -5.642 1.00 0.00 C ATOM 603 OD1 ASP A 38 15.799 24.587 -6.505 1.00 0.00 O ATOM 604 OD2 ASP A 38 15.759 23.781 -4.467 1.00 0.00 O1- ATOM 0 H ASP A 38 12.856 20.364 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 38 13.890 22.189 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.706 21.924 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.649 23.263 -6.892 1.00 0.00 H new ATOM 609 N GLU A 39 11.105 23.145 -4.036 1.00 0.00 N ATOM 610 CA GLU A 39 10.124 24.035 -3.416 1.00 0.00 C ATOM 611 C GLU A 39 10.318 24.088 -1.891 1.00 0.00 C ATOM 612 O GLU A 39 10.662 23.085 -1.253 1.00 0.00 O ATOM 613 CB GLU A 39 8.705 23.589 -3.810 1.00 0.00 C ATOM 614 CG GLU A 39 7.619 24.628 -3.508 1.00 0.00 C ATOM 615 CD GLU A 39 7.824 25.919 -4.329 1.00 0.00 C ATOM 616 OE1 GLU A 39 8.306 26.930 -3.762 1.00 0.00 O ATOM 617 OE2 GLU A 39 7.524 25.923 -5.550 1.00 0.00 O1- ATOM 0 H GLU A 39 10.770 22.186 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 39 10.271 25.051 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.689 23.361 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.466 22.665 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.639 24.206 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.629 24.867 -2.445 1.00 0.00 H new ATOM 624 N GLU A 40 10.094 25.260 -1.296 1.00 0.00 N ATOM 625 CA GLU A 40 10.310 25.538 0.128 1.00 0.00 C ATOM 626 C GLU A 40 9.144 26.341 0.729 1.00 0.00 C ATOM 627 O GLU A 40 8.627 27.282 0.118 1.00 0.00 O ATOM 628 CB GLU A 40 11.680 26.228 0.279 1.00 0.00 C ATOM 629 CG GLU A 40 12.002 26.742 1.691 1.00 0.00 C ATOM 630 CD GLU A 40 11.594 28.216 1.934 1.00 0.00 C ATOM 631 OE1 GLU A 40 11.908 29.105 1.100 1.00 0.00 O ATOM 632 OE2 GLU A 40 10.981 28.507 2.989 1.00 0.00 O1- ATOM 0 H GLU A 40 9.745 26.071 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 40 10.330 24.611 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.458 25.525 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.724 27.068 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.495 26.111 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.072 26.638 1.869 1.00 0.00 H new ATOM 639 N HIS A 41 8.727 25.949 1.937 1.00 0.00 N ATOM 640 CA HIS A 41 7.506 26.401 2.616 1.00 0.00 C ATOM 641 C HIS A 41 7.805 26.876 4.046 1.00 0.00 C ATOM 642 O HIS A 41 8.724 26.368 4.695 1.00 0.00 O ATOM 643 CB HIS A 41 6.486 25.254 2.643 1.00 0.00 C ATOM 644 CG HIS A 41 6.269 24.551 1.325 1.00 0.00 C ATOM 645 ND1 HIS A 41 5.445 24.998 0.285 1.00 0.00 N ATOM 646 CD2 HIS A 41 6.858 23.378 0.946 1.00 0.00 C ATOM 647 CE1 HIS A 41 5.552 24.073 -0.686 1.00 0.00 C ATOM 648 NE2 HIS A 41 6.401 23.097 -0.321 1.00 0.00 N ATOM 0 H HIS A 41 9.255 25.277 2.494 1.00 0.00 H new ATOM 0 HA HIS A 41 7.096 27.247 2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.811 24.518 3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.530 25.648 2.987 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.549 22.786 1.528 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.028 24.110 -1.629 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.661 22.288 -0.885 1.00 0.00 H new ATOM 656 N ALA A 42 6.990 27.800 4.560 1.00 0.00 N ATOM 657 CA ALA A 42 7.079 28.326 5.926 1.00 0.00 C ATOM 658 C ALA A 42 5.689 28.459 6.585 1.00 0.00 C ATOM 659 O ALA A 42 4.711 28.869 5.944 1.00 0.00 O ATOM 660 CB ALA A 42 7.813 29.673 5.915 1.00 0.00 C ATOM 0 H ALA A 42 6.228 28.215 4.023 1.00 0.00 H new ATOM 0 HA ALA A 42 7.646 27.615 6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.877 30.061 6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.818 29.537 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.267 30.380 5.291 1.00 0.00 H new ATOM 666 N PHE A 43 5.618 28.136 7.881 1.00 0.00 N ATOM 667 CA PHE A 43 4.388 28.056 8.671 1.00 0.00 C ATOM 668 C PHE A 43 4.619 28.635 10.082 1.00 0.00 C ATOM 669 O PHE A 43 5.063 27.913 10.989 1.00 0.00 O ATOM 670 CB PHE A 43 3.917 26.596 8.723 1.00 0.00 C ATOM 671 CG PHE A 43 3.650 25.966 7.367 1.00 0.00 C ATOM 672 CD1 PHE A 43 2.447 26.229 6.692 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.627 25.152 6.767 1.00 0.00 C ATOM 674 CE1 PHE A 43 2.222 25.687 5.410 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.406 24.616 5.487 1.00 0.00 C ATOM 676 CZ PHE A 43 3.208 24.888 4.802 1.00 0.00 C ATOM 0 H PHE A 43 6.450 27.915 8.428 1.00 0.00 H new ATOM 0 HA PHE A 43 3.606 28.653 8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.671 26.004 9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.006 26.544 9.318 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.693 26.848 7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.547 24.939 7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.294 25.885 4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.159 23.993 5.027 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.045 24.485 3.813 1.00 0.00 H new ATOM 686 N PRO A 44 4.359 29.940 10.298 1.00 0.00 N ATOM 687 CA PRO A 44 4.445 30.561 11.616 1.00 0.00 C ATOM 688 C PRO A 44 3.335 30.064 12.558 1.00 0.00 C ATOM 689 O PRO A 44 2.228 29.722 12.130 1.00 0.00 O ATOM 690 CB PRO A 44 4.385 32.078 11.368 1.00 0.00 C ATOM 691 CG PRO A 44 3.608 32.196 10.059 1.00 0.00 C ATOM 692 CD PRO A 44 3.993 30.934 9.293 1.00 0.00 C ATOM 0 HA PRO A 44 5.370 30.293 12.126 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.880 32.598 12.182 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.382 32.510 11.283 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.533 32.245 10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.883 33.097 9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.162 30.581 8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.826 31.128 8.617 1.00 0.00 H new ATOM 700 N GLY A 45 3.638 30.018 13.861 1.00 0.00 N ATOM 701 CA GLY A 45 2.764 29.493 14.922 1.00 0.00 C ATOM 702 C GLY A 45 2.898 27.986 15.183 1.00 0.00 C ATOM 703 O GLY A 45 2.244 27.472 16.091 1.00 0.00 O ATOM 0 H GLY A 45 4.530 30.357 14.220 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.979 30.028 15.847 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.728 29.711 14.661 1.00 0.00 H new ATOM 707 N LEU A 46 3.726 27.268 14.413 1.00 0.00 N ATOM 708 CA LEU A 46 3.957 25.821 14.549 1.00 0.00 C ATOM 709 C LEU A 46 5.303 25.469 15.202 1.00 0.00 C ATOM 710 O LEU A 46 6.243 26.264 15.217 1.00 0.00 O ATOM 711 CB LEU A 46 3.838 25.125 13.176 1.00 0.00 C ATOM 712 CG LEU A 46 2.504 25.306 12.432 1.00 0.00 C ATOM 713 CD1 LEU A 46 2.494 24.386 11.213 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.283 24.927 13.275 1.00 0.00 C ATOM 0 H LEU A 46 4.269 27.687 13.658 1.00 0.00 H new ATOM 0 HA LEU A 46 3.182 25.454 15.222 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.639 25.493 12.535 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.008 24.058 13.318 1.00 0.00 H new ATOM 0 HG LEU A 46 2.435 26.363 12.174 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.553 24.504 10.676 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.323 24.646 10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.599 23.351 11.538 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.376 25.078 12.690 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.355 23.880 13.569 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.248 25.553 14.167 1.00 0.00 H new ATOM 726 N ALA A 47 5.394 24.226 15.674 1.00 0.00 N ATOM 727 CA ALA A 47 6.606 23.508 16.059 1.00 0.00 C ATOM 728 C ALA A 47 6.536 22.047 15.554 1.00 0.00 C ATOM 729 O ALA A 47 5.448 21.520 15.296 1.00 0.00 O ATOM 730 CB ALA A 47 6.768 23.589 17.583 1.00 0.00 C ATOM 0 H ALA A 47 4.560 23.654 15.807 1.00 0.00 H new ATOM 0 HA ALA A 47 7.483 23.964 15.600 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.670 23.056 17.882 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.847 24.633 17.886 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.902 23.136 18.066 1.00 0.00 H new ATOM 736 N ILE A 48 7.689 21.380 15.409 1.00 0.00 N ATOM 737 CA ILE A 48 7.739 19.953 15.045 1.00 0.00 C ATOM 738 C ILE A 48 7.275 19.123 16.252 1.00 0.00 C ATOM 739 O ILE A 48 7.916 19.136 17.306 1.00 0.00 O ATOM 740 CB ILE A 48 9.143 19.529 14.546 1.00 0.00 C ATOM 741 CG1 ILE A 48 9.589 20.326 13.293 1.00 0.00 C ATOM 742 CG2 ILE A 48 9.157 18.021 14.223 1.00 0.00 C ATOM 743 CD1 ILE A 48 11.110 20.321 13.078 1.00 0.00 C ATOM 0 H ILE A 48 8.606 21.807 15.539 1.00 0.00 H new ATOM 0 HA ILE A 48 7.066 19.771 14.207 1.00 0.00 H new ATOM 0 HB ILE A 48 9.847 19.748 15.349 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.103 19.906 12.412 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.246 21.356 13.385 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.148 17.733 13.873 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.910 17.454 15.121 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.422 17.808 13.446 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.353 20.896 12.185 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.601 20.768 13.942 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.457 19.295 12.954 1.00 0.00 H new ATOM 755 N GLY A 49 6.141 18.429 16.105 1.00 0.00 N ATOM 756 CA GLY A 49 5.471 17.705 17.185 1.00 0.00 C ATOM 757 C GLY A 49 5.902 16.243 17.309 1.00 0.00 C ATOM 758 O GLY A 49 6.262 15.805 18.402 1.00 0.00 O ATOM 0 H GLY A 49 5.655 18.355 15.211 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.669 18.214 18.128 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.394 17.744 17.022 1.00 0.00 H new ATOM 762 N ARG A 50 5.878 15.485 16.205 1.00 0.00 N ATOM 763 CA ARG A 50 6.129 14.032 16.176 1.00 0.00 C ATOM 764 C ARG A 50 6.716 13.579 14.840 1.00 0.00 C ATOM 765 O ARG A 50 6.379 14.122 13.790 1.00 0.00 O ATOM 766 CB ARG A 50 4.809 13.308 16.531 1.00 0.00 C ATOM 767 CG ARG A 50 4.825 11.790 16.314 1.00 0.00 C ATOM 768 CD ARG A 50 3.538 11.158 16.862 1.00 0.00 C ATOM 769 NE ARG A 50 3.407 9.766 16.407 1.00 0.00 N ATOM 770 CZ ARG A 50 2.433 8.921 16.666 1.00 0.00 C ATOM 771 NH1 ARG A 50 1.469 9.195 17.501 1.00 0.00 N1+ ATOM 772 NH2 ARG A 50 2.400 7.771 16.062 1.00 0.00 N ATOM 0 H ARG A 50 5.679 15.872 15.282 1.00 0.00 H new ATOM 0 HA ARG A 50 6.886 13.771 16.916 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.572 13.508 17.576 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.005 13.737 15.934 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.922 11.569 15.251 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.692 11.354 16.811 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.547 11.190 17.951 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.675 11.736 16.533 1.00 0.00 H new ATOM 0 HE ARG A 50 4.163 9.413 15.820 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.451 10.094 17.982 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.733 8.510 17.673 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.128 7.527 15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.647 7.113 16.260 1.00 0.00 H new ATOM 786 N VAL A 51 7.587 12.574 14.896 1.00 0.00 N ATOM 787 CA VAL A 51 8.304 11.995 13.751 1.00 0.00 C ATOM 788 C VAL A 51 8.330 10.467 13.888 1.00 0.00 C ATOM 789 O VAL A 51 8.948 9.935 14.811 1.00 0.00 O ATOM 790 CB VAL A 51 9.742 12.551 13.637 1.00 0.00 C ATOM 791 CG1 VAL A 51 10.452 12.000 12.391 1.00 0.00 C ATOM 792 CG2 VAL A 51 9.798 14.079 13.572 1.00 0.00 C ATOM 0 H VAL A 51 7.826 12.118 15.776 1.00 0.00 H new ATOM 0 HA VAL A 51 7.777 12.273 12.839 1.00 0.00 H new ATOM 0 HB VAL A 51 10.245 12.224 14.547 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.461 12.408 12.337 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.503 10.913 12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.896 12.287 11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.836 14.402 13.493 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.242 14.427 12.701 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.356 14.498 14.476 1.00 0.00 H new ATOM 802 N ASP A 52 7.686 9.758 12.956 1.00 0.00 N ATOM 803 CA ASP A 52 7.637 8.289 12.919 1.00 0.00 C ATOM 804 C ASP A 52 8.532 7.750 11.795 1.00 0.00 C ATOM 805 O ASP A 52 8.134 7.713 10.630 1.00 0.00 O ATOM 806 CB ASP A 52 6.194 7.771 12.740 1.00 0.00 C ATOM 807 CG ASP A 52 5.218 8.076 13.884 1.00 0.00 C ATOM 808 OD1 ASP A 52 5.531 8.835 14.826 1.00 0.00 O ATOM 809 OD2 ASP A 52 4.094 7.519 13.854 1.00 0.00 O1- ATOM 0 H ASP A 52 7.173 10.195 12.190 1.00 0.00 H new ATOM 0 HA ASP A 52 8.008 7.925 13.877 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.789 8.196 11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.233 6.691 12.601 1.00 0.00 H new ATOM 814 N LEU A 53 9.729 7.262 12.129 1.00 0.00 N ATOM 815 CA LEU A 53 10.658 6.646 11.173 1.00 0.00 C ATOM 816 C LEU A 53 10.126 5.306 10.619 1.00 0.00 C ATOM 817 O LEU A 53 10.578 4.844 9.568 1.00 0.00 O ATOM 818 CB LEU A 53 12.052 6.461 11.809 1.00 0.00 C ATOM 819 CG LEU A 53 12.837 7.721 12.235 1.00 0.00 C ATOM 820 CD1 LEU A 53 12.869 8.793 11.142 1.00 0.00 C ATOM 821 CD2 LEU A 53 12.349 8.356 13.534 1.00 0.00 C ATOM 0 H LEU A 53 10.087 7.283 13.084 1.00 0.00 H new ATOM 0 HA LEU A 53 10.747 7.328 10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.934 5.830 12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.670 5.908 11.101 1.00 0.00 H new ATOM 0 HG LEU A 53 13.846 7.346 12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.433 9.656 11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.346 8.388 10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.851 9.099 10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.954 9.234 13.760 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.306 8.653 13.425 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.438 7.635 14.347 1.00 0.00 H new ATOM 833 N ARG A 54 9.120 4.720 11.289 1.00 0.00 N ATOM 834 CA ARG A 54 8.328 3.556 10.850 1.00 0.00 C ATOM 835 C ARG A 54 7.496 3.806 9.575 1.00 0.00 C ATOM 836 O ARG A 54 7.093 2.842 8.919 1.00 0.00 O ATOM 837 CB ARG A 54 7.403 3.127 12.007 1.00 0.00 C ATOM 838 CG ARG A 54 8.178 2.664 13.255 1.00 0.00 C ATOM 839 CD ARG A 54 7.277 2.186 14.408 1.00 0.00 C ATOM 840 NE ARG A 54 6.434 3.272 14.962 1.00 0.00 N ATOM 841 CZ ARG A 54 5.156 3.504 14.713 1.00 0.00 C ATOM 842 NH1 ARG A 54 4.552 4.496 15.290 1.00 0.00 N1+ ATOM 843 NH2 ARG A 54 4.450 2.765 13.903 1.00 0.00 N ATOM 0 H ARG A 54 8.820 5.063 12.201 1.00 0.00 H new ATOM 0 HA ARG A 54 9.034 2.767 10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.756 3.962 12.277 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.756 2.319 11.667 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.851 1.854 12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.800 3.486 13.610 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.636 1.379 14.052 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.899 1.773 15.202 1.00 0.00 H new ATOM 0 HE ARG A 54 6.892 3.914 15.609 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.063 5.098 15.936 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.566 4.674 15.098 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.881 1.970 13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.467 2.982 13.741 1.00 0.00 H new ATOM 857 N SER A 55 7.225 5.072 9.223 1.00 0.00 N ATOM 858 CA SER A 55 6.357 5.462 8.087 1.00 0.00 C ATOM 859 C SER A 55 6.840 6.696 7.302 1.00 0.00 C ATOM 860 O SER A 55 6.357 6.970 6.197 1.00 0.00 O ATOM 861 CB SER A 55 4.929 5.656 8.612 1.00 0.00 C ATOM 862 OG SER A 55 3.994 5.875 7.571 1.00 0.00 O ATOM 0 H SER A 55 7.607 5.873 9.726 1.00 0.00 H new ATOM 0 HA SER A 55 6.396 4.653 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.633 4.776 9.183 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.909 6.503 9.298 1.00 0.00 H new ATOM 0 HG SER A 55 4.468 6.141 6.756 1.00 0.00 H new ATOM 868 N GLY A 56 7.803 7.459 7.834 1.00 0.00 N ATOM 869 CA GLY A 56 8.279 8.729 7.262 1.00 0.00 C ATOM 870 C GLY A 56 7.326 9.908 7.506 1.00 0.00 C ATOM 871 O GLY A 56 7.431 10.925 6.820 1.00 0.00 O ATOM 0 H GLY A 56 8.286 7.206 8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.254 8.967 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.421 8.604 6.189 1.00 0.00 H new ATOM 875 N VAL A 57 6.373 9.781 8.438 1.00 0.00 N ATOM 876 CA VAL A 57 5.407 10.841 8.777 1.00 0.00 C ATOM 877 C VAL A 57 6.015 11.847 9.755 1.00 0.00 C ATOM 878 O VAL A 57 6.566 11.459 10.785 1.00 0.00 O ATOM 879 CB VAL A 57 4.100 10.251 9.337 1.00 0.00 C ATOM 880 CG1 VAL A 57 3.116 11.323 9.836 1.00 0.00 C ATOM 881 CG2 VAL A 57 3.381 9.447 8.252 1.00 0.00 C ATOM 0 H VAL A 57 6.247 8.930 8.986 1.00 0.00 H new ATOM 0 HA VAL A 57 5.164 11.371 7.856 1.00 0.00 H new ATOM 0 HB VAL A 57 4.394 9.626 10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.216 10.841 10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.583 11.903 10.632 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.851 11.986 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.458 9.033 8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.148 10.099 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.025 8.635 7.914 1.00 0.00 H new ATOM 891 N ILE A 58 5.848 13.135 9.451 1.00 0.00 N ATOM 892 CA ILE A 58 6.241 14.276 10.288 1.00 0.00 C ATOM 893 C ILE A 58 4.983 15.105 10.603 1.00 0.00 C ATOM 894 O ILE A 58 4.429 15.771 9.727 1.00 0.00 O ATOM 895 CB ILE A 58 7.348 15.100 9.574 1.00 0.00 C ATOM 896 CG1 ILE A 58 8.643 14.275 9.392 1.00 0.00 C ATOM 897 CG2 ILE A 58 7.642 16.407 10.339 1.00 0.00 C ATOM 898 CD1 ILE A 58 9.666 14.903 8.436 1.00 0.00 C ATOM 0 H ILE A 58 5.415 13.427 8.575 1.00 0.00 H new ATOM 0 HA ILE A 58 6.668 13.941 11.233 1.00 0.00 H new ATOM 0 HB ILE A 58 6.974 15.356 8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.111 14.137 10.367 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.379 13.284 9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.420 16.966 9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.735 17.010 10.391 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.978 16.170 11.348 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.543 14.259 8.367 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.220 15.015 7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.963 15.882 8.813 1.00 0.00 H new ATOM 910 N SER A 59 4.524 15.070 11.852 1.00 0.00 N ATOM 911 CA SER A 59 3.362 15.828 12.335 1.00 0.00 C ATOM 912 C SER A 59 3.807 17.135 13.000 1.00 0.00 C ATOM 913 O SER A 59 4.547 17.115 13.994 1.00 0.00 O ATOM 914 CB SER A 59 2.552 14.998 13.337 1.00 0.00 C ATOM 915 OG SER A 59 2.148 13.755 12.779 1.00 0.00 O ATOM 0 H SER A 59 4.958 14.500 12.578 1.00 0.00 H new ATOM 0 HA SER A 59 2.735 16.060 11.474 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.150 14.819 14.230 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.672 15.561 13.650 1.00 0.00 H new ATOM 0 HG SER A 59 1.635 13.249 13.444 1.00 0.00 H new ATOM 921 N LEU A 60 3.344 18.270 12.481 1.00 0.00 N ATOM 922 CA LEU A 60 3.515 19.582 13.116 1.00 0.00 C ATOM 923 C LEU A 60 2.329 19.908 14.042 1.00 0.00 C ATOM 924 O LEU A 60 1.198 19.478 13.807 1.00 0.00 O ATOM 925 CB LEU A 60 3.714 20.679 12.064 1.00 0.00 C ATOM 926 CG LEU A 60 4.762 20.395 10.974 1.00 0.00 C ATOM 927 CD1 LEU A 60 4.909 21.625 10.073 1.00 0.00 C ATOM 928 CD2 LEU A 60 6.141 20.068 11.549 1.00 0.00 C ATOM 0 H LEU A 60 2.834 18.309 11.599 1.00 0.00 H new ATOM 0 HA LEU A 60 4.414 19.542 13.731 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.756 20.865 11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.995 21.599 12.577 1.00 0.00 H new ATOM 0 HG LEU A 60 4.407 19.527 10.418 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.652 21.424 9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.951 21.850 9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.230 22.478 10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.839 19.877 10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.497 20.911 12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.071 19.183 12.182 1.00 0.00 H new ATOM 940 N ILE A 61 2.593 20.700 15.081 1.00 0.00 N ATOM 941 CA ILE A 61 1.613 21.128 16.093 1.00 0.00 C ATOM 942 C ILE A 61 1.709 22.633 16.353 1.00 0.00 C ATOM 943 O ILE A 61 2.770 23.231 16.167 1.00 0.00 O ATOM 944 CB ILE A 61 1.747 20.290 17.390 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.137 20.318 18.070 1.00 0.00 C ATOM 946 CG2 ILE A 61 1.340 18.830 17.108 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.366 21.487 19.032 1.00 0.00 C ATOM 0 H ILE A 61 3.525 21.077 15.252 1.00 0.00 H new ATOM 0 HA ILE A 61 0.613 20.941 15.701 1.00 0.00 H new ATOM 0 HB ILE A 61 1.074 20.767 18.103 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.276 19.385 18.617 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.903 20.350 17.295 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.435 18.243 18.021 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.306 18.800 16.764 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.991 18.413 16.339 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.367 21.418 19.457 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.265 22.428 18.491 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.628 21.448 19.834 1.00 0.00 H new ATOM 959 N GLU A 62 0.617 23.259 16.794 1.00 0.00 N ATOM 960 CA GLU A 62 0.594 24.663 17.221 1.00 0.00 C ATOM 961 C GLU A 62 1.464 24.839 18.482 1.00 0.00 C ATOM 962 O GLU A 62 1.291 24.126 19.477 1.00 0.00 O ATOM 963 CB GLU A 62 -0.842 25.154 17.464 1.00 0.00 C ATOM 964 CG GLU A 62 -1.781 24.996 16.255 1.00 0.00 C ATOM 965 CD GLU A 62 -2.622 23.698 16.279 1.00 0.00 C ATOM 966 OE1 GLU A 62 -2.121 22.616 16.675 1.00 0.00 O ATOM 967 OE2 GLU A 62 -3.816 23.752 15.884 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.291 22.800 16.867 1.00 0.00 H new ATOM 0 HA GLU A 62 1.009 25.275 16.420 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.262 24.608 18.309 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.810 26.206 17.749 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.454 25.852 16.216 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.187 25.015 15.341 1.00 0.00 H new ATOM 974 N GLU A 63 2.433 25.762 18.426 1.00 0.00 N ATOM 975 CA GLU A 63 3.610 25.760 19.311 1.00 0.00 C ATOM 976 C GLU A 63 3.289 25.995 20.800 1.00 0.00 C ATOM 977 O GLU A 63 3.977 25.440 21.664 1.00 0.00 O ATOM 978 CB GLU A 63 4.653 26.761 18.767 1.00 0.00 C ATOM 979 CG GLU A 63 4.265 28.251 18.812 1.00 0.00 C ATOM 980 CD GLU A 63 4.666 28.983 20.110 1.00 0.00 C ATOM 981 OE1 GLU A 63 3.911 29.885 20.550 1.00 0.00 O ATOM 982 OE2 GLU A 63 5.733 28.690 20.696 1.00 0.00 O1- ATOM 0 H GLU A 63 2.424 26.536 17.762 1.00 0.00 H new ATOM 0 HA GLU A 63 4.027 24.753 19.295 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.576 26.632 19.331 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.872 26.497 17.732 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.729 28.759 17.966 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.186 28.336 18.682 1.00 0.00 H new ATOM 989 N GLN A 64 2.231 26.748 21.103 1.00 0.00 N ATOM 990 CA GLN A 64 1.645 26.920 22.441 1.00 0.00 C ATOM 991 C GLN A 64 0.109 26.883 22.368 1.00 0.00 C ATOM 992 O GLN A 64 -0.481 27.281 21.360 1.00 0.00 O ATOM 993 CB GLN A 64 2.115 28.229 23.107 1.00 0.00 C ATOM 994 CG GLN A 64 3.579 28.159 23.571 1.00 0.00 C ATOM 995 CD GLN A 64 4.074 29.482 24.138 1.00 0.00 C ATOM 996 OE1 GLN A 64 4.269 29.644 25.335 1.00 0.00 O ATOM 997 NE2 GLN A 64 4.280 30.490 23.313 1.00 0.00 N ATOM 0 H GLN A 64 1.733 27.282 20.391 1.00 0.00 H new ATOM 0 HA GLN A 64 1.991 26.090 23.057 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.999 29.053 22.403 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.476 28.448 23.962 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.680 27.382 24.329 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.210 27.869 22.731 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.122 30.371 22.312 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.597 31.389 23.675 1.00 0.00 H new ATOM 1006 N ASN A 65 -0.538 26.389 23.430 1.00 0.00 N ATOM 1007 CA ASN A 65 -1.978 26.087 23.470 1.00 0.00 C ATOM 1008 C ASN A 65 -2.702 26.750 24.674 1.00 0.00 C ATOM 1009 O ASN A 65 -3.714 26.239 25.168 1.00 0.00 O ATOM 1010 CB ASN A 65 -2.195 24.556 23.419 1.00 0.00 C ATOM 1011 CG ASN A 65 -1.352 23.799 22.396 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -0.737 22.783 22.702 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -1.231 24.275 21.177 1.00 0.00 N ATOM 0 H ASN A 65 -0.064 26.182 24.309 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.438 26.529 22.586 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.988 24.146 24.407 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.247 24.364 23.208 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.632 23.800 20.501 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.736 25.119 20.907 1.00 0.00 H new ATOM 1020 N ARG A 66 -2.144 27.866 25.176 1.00 0.00 N ATOM 1021 CA ARG A 66 -2.579 28.597 26.386 1.00 0.00 C ATOM 1022 C ARG A 66 -3.987 29.201 26.256 1.00 0.00 C ATOM 1023 O ARG A 66 -4.757 29.130 27.242 1.00 0.00 O ATOM 1024 CB ARG A 66 -1.556 29.685 26.752 1.00 0.00 C ATOM 1025 CG ARG A 66 -0.144 29.130 27.008 1.00 0.00 C ATOM 1026 CD ARG A 66 0.814 30.253 27.413 1.00 0.00 C ATOM 1027 NE ARG A 66 2.214 29.798 27.402 1.00 0.00 N ATOM 1028 CZ ARG A 66 2.861 29.110 28.320 1.00 0.00 C ATOM 1029 NH1 ARG A 66 2.332 28.760 29.457 1.00 0.00 N1+ ATOM 1030 NH2 ARG A 66 4.092 28.763 28.085 1.00 0.00 N ATOM 1031 OXT ARG A 66 -4.315 29.758 25.181 1.00 0.00 O1- ATOM 0 H ARG A 66 -1.339 28.306 24.730 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.632 27.863 27.190 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.511 30.417 25.946 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.899 30.212 27.642 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.181 28.376 27.794 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.226 28.636 26.110 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.699 31.095 26.730 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.555 30.612 28.409 1.00 0.00 H new ATOM 0 HE ARG A 66 2.754 30.049 26.574 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.369 29.019 29.673 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.880 28.227 30.132 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.536 29.024 27.205 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.613 28.230 28.781 1.00 0.00 H new TER 1045 ARG A 66 ATOM 1046 N GLY B -3 24.658 -5.174 -0.516 1.00 0.00 N ATOM 1047 CA GLY B -3 24.653 -6.517 0.104 1.00 0.00 C ATOM 1048 C GLY B -3 23.742 -6.586 1.325 1.00 0.00 C ATOM 1049 O GLY B -3 22.923 -5.684 1.536 1.00 0.00 O ATOM 0 H1 GLY B -3 24.424 -5.257 -1.526 1.00 0.00 H new ATOM 0 H2 GLY B -3 23.953 -4.572 -0.045 1.00 0.00 H new ATOM 0 H3 GLY B -3 25.601 -4.748 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY B -3 24.328 -7.253 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY B -3 25.669 -6.784 0.395 1.00 0.00 H new ATOM 1055 N PRO B -2 23.854 -7.654 2.141 1.00 0.00 N ATOM 1056 CA PRO B -2 23.021 -7.860 3.334 1.00 0.00 C ATOM 1057 C PRO B -2 23.184 -6.777 4.415 1.00 0.00 C ATOM 1058 O PRO B -2 24.275 -6.225 4.613 1.00 0.00 O ATOM 1059 CB PRO B -2 23.409 -9.241 3.877 1.00 0.00 C ATOM 1060 CG PRO B -2 23.956 -9.968 2.649 1.00 0.00 C ATOM 1061 CD PRO B -2 24.659 -8.842 1.888 1.00 0.00 C ATOM 0 HA PRO B -2 21.969 -7.796 3.056 1.00 0.00 H new ATOM 0 HB2 PRO B -2 24.158 -9.166 4.665 1.00 0.00 H new ATOM 0 HB3 PRO B -2 22.550 -9.761 4.301 1.00 0.00 H new ATOM 0 HG2 PRO B -2 24.646 -10.766 2.923 1.00 0.00 H new ATOM 0 HG3 PRO B -2 23.161 -10.423 2.058 1.00 0.00 H new ATOM 0 HD2 PRO B -2 25.682 -8.707 2.239 1.00 0.00 H new ATOM 0 HD3 PRO B -2 24.714 -9.061 0.822 1.00 0.00 H new ATOM 1069 N GLY B -1 22.100 -6.499 5.148 1.00 0.00 N ATOM 1070 CA GLY B -1 22.049 -5.549 6.264 1.00 0.00 C ATOM 1071 C GLY B -1 20.614 -5.207 6.681 1.00 0.00 C ATOM 1072 O GLY B -1 19.693 -5.267 5.862 1.00 0.00 O ATOM 0 H GLY B -1 21.200 -6.947 4.973 1.00 0.00 H new ATOM 0 HA2 GLY B -1 22.582 -5.968 7.118 1.00 0.00 H new ATOM 0 HA3 GLY B -1 22.569 -4.634 5.982 1.00 0.00 H new ATOM 1076 N SER B 0 20.414 -4.854 7.957 1.00 0.00 N ATOM 1077 CA SER B 0 19.098 -4.459 8.490 1.00 0.00 C ATOM 1078 C SER B 0 18.651 -3.079 7.973 1.00 0.00 C ATOM 1079 O SER B 0 17.507 -2.922 7.532 1.00 0.00 O ATOM 1080 CB SER B 0 19.139 -4.486 10.023 1.00 0.00 C ATOM 1081 OG SER B 0 17.862 -4.214 10.575 1.00 0.00 O ATOM 0 H SER B 0 21.160 -4.833 8.653 1.00 0.00 H new ATOM 0 HA SER B 0 18.358 -5.177 8.135 1.00 0.00 H new ATOM 0 HB2 SER B 0 19.485 -5.462 10.363 1.00 0.00 H new ATOM 0 HB3 SER B 0 19.858 -3.750 10.383 1.00 0.00 H new ATOM 0 HG SER B 0 17.916 -4.239 11.553 1.00 0.00 H new ATOM 1087 N MET B 1 19.582 -2.114 7.942 1.00 0.00 N ATOM 1088 CA MET B 1 19.428 -0.747 7.410 1.00 0.00 C ATOM 1089 C MET B 1 18.237 0.038 8.024 1.00 0.00 C ATOM 1090 O MET B 1 17.739 -0.313 9.101 1.00 0.00 O ATOM 1091 CB MET B 1 19.410 -0.786 5.862 1.00 0.00 C ATOM 1092 CG MET B 1 20.552 -1.608 5.231 1.00 0.00 C ATOM 1093 SD MET B 1 22.246 -1.196 5.767 1.00 0.00 S ATOM 1094 CE MET B 1 22.406 0.494 5.124 1.00 0.00 C ATOM 0 H MET B 1 20.520 -2.274 8.309 1.00 0.00 H new ATOM 0 HA MET B 1 20.298 -0.171 7.724 1.00 0.00 H new ATOM 0 HB2 MET B 1 18.457 -1.199 5.532 1.00 0.00 H new ATOM 0 HB3 MET B 1 19.463 0.235 5.485 1.00 0.00 H new ATOM 0 HG2 MET B 1 20.373 -2.661 5.446 1.00 0.00 H new ATOM 0 HG3 MET B 1 20.499 -1.490 4.149 1.00 0.00 H new ATOM 0 HE1 MET B 1 23.392 0.886 5.372 1.00 0.00 H new ATOM 0 HE2 MET B 1 22.281 0.485 4.041 1.00 0.00 H new ATOM 0 HE3 MET B 1 21.641 1.128 5.572 1.00 0.00 H new ATOM 1104 N CYS B 2 17.788 1.104 7.340 1.00 0.00 N ATOM 1105 CA CYS B 2 16.687 1.998 7.735 1.00 0.00 C ATOM 1106 C CYS B 2 16.929 2.747 9.076 1.00 0.00 C ATOM 1107 O CYS B 2 18.008 2.653 9.670 1.00 0.00 O ATOM 1108 CB CYS B 2 15.375 1.188 7.665 1.00 0.00 C ATOM 1109 SG CYS B 2 13.915 2.256 7.476 1.00 0.00 S ATOM 0 H CYS B 2 18.205 1.379 6.451 1.00 0.00 H new ATOM 0 HA CYS B 2 16.619 2.829 7.033 1.00 0.00 H new ATOM 0 HB2 CYS B 2 15.424 0.492 6.828 1.00 0.00 H new ATOM 0 HB3 CYS B 2 15.271 0.590 8.571 1.00 0.00 H new ATOM 0 HG CYS B 2 13.433 2.543 8.649 1.00 0.00 H new ATOM 1115 N MET B 3 15.920 3.505 9.527 1.00 0.00 N ATOM 1116 CA MET B 3 15.898 4.384 10.715 1.00 0.00 C ATOM 1117 C MET B 3 16.901 5.555 10.699 1.00 0.00 C ATOM 1118 O MET B 3 17.916 5.553 9.992 1.00 0.00 O ATOM 1119 CB MET B 3 15.983 3.550 12.007 1.00 0.00 C ATOM 1120 CG MET B 3 14.728 2.682 12.190 1.00 0.00 C ATOM 1121 SD MET B 3 14.906 1.356 13.406 1.00 0.00 S ATOM 1122 CE MET B 3 15.923 0.212 12.433 1.00 0.00 C ATOM 0 H MET B 3 15.026 3.524 9.036 1.00 0.00 H new ATOM 0 HA MET B 3 14.933 4.889 10.682 1.00 0.00 H new ATOM 0 HB2 MET B 3 16.867 2.914 11.975 1.00 0.00 H new ATOM 0 HB3 MET B 3 16.098 4.213 12.864 1.00 0.00 H new ATOM 0 HG2 MET B 3 13.898 3.323 12.489 1.00 0.00 H new ATOM 0 HG3 MET B 3 14.462 2.243 11.229 1.00 0.00 H new ATOM 0 HE1 MET B 3 15.403 -0.741 12.332 1.00 0.00 H new ATOM 0 HE2 MET B 3 16.101 0.635 11.444 1.00 0.00 H new ATOM 0 HE3 MET B 3 16.876 0.054 12.937 1.00 0.00 H new ATOM 1132 N ALA B 4 16.590 6.586 11.488 1.00 0.00 N ATOM 1133 CA ALA B 4 17.424 7.769 11.720 1.00 0.00 C ATOM 1134 C ALA B 4 18.253 7.648 13.018 1.00 0.00 C ATOM 1135 O ALA B 4 18.117 6.671 13.761 1.00 0.00 O ATOM 1136 CB ALA B 4 16.494 8.992 11.753 1.00 0.00 C ATOM 0 H ALA B 4 15.712 6.621 12.006 1.00 0.00 H new ATOM 0 HA ALA B 4 18.153 7.871 10.916 1.00 0.00 H new ATOM 0 HB1 ALA B 4 17.083 9.893 11.924 1.00 0.00 H new ATOM 0 HB2 ALA B 4 15.970 9.077 10.801 1.00 0.00 H new ATOM 0 HB3 ALA B 4 15.768 8.875 12.557 1.00 0.00 H new ATOM 1142 N LYS B 5 19.058 8.672 13.328 1.00 0.00 N ATOM 1143 CA LYS B 5 19.609 8.934 14.672 1.00 0.00 C ATOM 1144 C LYS B 5 19.137 10.281 15.235 1.00 0.00 C ATOM 1145 O LYS B 5 18.913 11.221 14.477 1.00 0.00 O ATOM 1146 CB LYS B 5 21.142 8.800 14.668 1.00 0.00 C ATOM 1147 CG LYS B 5 21.888 9.887 13.867 1.00 0.00 C ATOM 1148 CD LYS B 5 23.398 9.766 14.090 1.00 0.00 C ATOM 1149 CE LYS B 5 24.141 10.899 13.371 1.00 0.00 C ATOM 1150 NZ LYS B 5 25.581 10.907 13.735 1.00 0.00 N1+ ATOM 0 H LYS B 5 19.354 9.361 12.637 1.00 0.00 H new ATOM 0 HA LYS B 5 19.218 8.174 15.349 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.496 8.821 15.699 1.00 0.00 H new ATOM 0 HB3 LYS B 5 21.406 7.824 14.260 1.00 0.00 H new ATOM 0 HG2 LYS B 5 21.661 9.787 12.806 1.00 0.00 H new ATOM 0 HG3 LYS B 5 21.546 10.875 14.175 1.00 0.00 H new ATOM 0 HD2 LYS B 5 23.618 9.799 15.157 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.750 8.802 13.722 1.00 0.00 H new ATOM 0 HE2 LYS B 5 24.036 10.781 12.293 1.00 0.00 H new ATOM 0 HE3 LYS B 5 23.691 11.857 13.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 26.058 11.693 13.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 25.678 11.026 14.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 26.017 10.007 13.448 1.00 0.00 H new ATOM 1164 N VAL B 6 19.041 10.382 16.560 1.00 0.00 N ATOM 1165 CA VAL B 6 18.789 11.638 17.296 1.00 0.00 C ATOM 1166 C VAL B 6 20.102 12.184 17.871 1.00 0.00 C ATOM 1167 O VAL B 6 20.946 11.408 18.323 1.00 0.00 O ATOM 1168 CB VAL B 6 17.728 11.439 18.404 1.00 0.00 C ATOM 1169 CG1 VAL B 6 17.524 12.667 19.302 1.00 0.00 C ATOM 1170 CG2 VAL B 6 16.367 11.122 17.787 1.00 0.00 C ATOM 0 H VAL B 6 19.138 9.575 17.176 1.00 0.00 H new ATOM 0 HA VAL B 6 18.388 12.372 16.597 1.00 0.00 H new ATOM 0 HB VAL B 6 18.112 10.620 19.012 1.00 0.00 H new ATOM 0 HG11 VAL B 6 16.765 12.447 20.053 1.00 0.00 H new ATOM 0 HG12 VAL B 6 18.463 12.916 19.797 1.00 0.00 H new ATOM 0 HG13 VAL B 6 17.199 13.512 18.695 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.631 10.985 18.579 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.058 11.946 17.144 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.439 10.209 17.197 1.00 0.00 H new ATOM 1180 N VAL B 7 20.255 13.510 17.912 1.00 0.00 N ATOM 1181 CA VAL B 7 21.328 14.224 18.635 1.00 0.00 C ATOM 1182 C VAL B 7 20.769 15.386 19.478 1.00 0.00 C ATOM 1183 O VAL B 7 19.814 16.057 19.079 1.00 0.00 O ATOM 1184 CB VAL B 7 22.456 14.663 17.671 1.00 0.00 C ATOM 1185 CG1 VAL B 7 22.004 15.669 16.603 1.00 0.00 C ATOM 1186 CG2 VAL B 7 23.654 15.277 18.415 1.00 0.00 C ATOM 0 H VAL B 7 19.618 14.143 17.429 1.00 0.00 H new ATOM 0 HA VAL B 7 21.779 13.529 19.343 1.00 0.00 H new ATOM 0 HB VAL B 7 22.750 13.737 17.177 1.00 0.00 H new ATOM 0 HG11 VAL B 7 22.850 15.928 15.966 1.00 0.00 H new ATOM 0 HG12 VAL B 7 21.215 15.225 15.996 1.00 0.00 H new ATOM 0 HG13 VAL B 7 21.626 16.569 17.088 1.00 0.00 H new ATOM 0 HG21 VAL B 7 24.419 15.569 17.695 1.00 0.00 H new ATOM 0 HG22 VAL B 7 23.326 16.155 18.972 1.00 0.00 H new ATOM 0 HG23 VAL B 7 24.068 14.543 19.106 1.00 0.00 H new ATOM 1196 N LEU B 8 21.354 15.610 20.659 1.00 0.00 N ATOM 1197 CA LEU B 8 20.967 16.656 21.618 1.00 0.00 C ATOM 1198 C LEU B 8 22.161 17.179 22.436 1.00 0.00 C ATOM 1199 O LEU B 8 23.189 16.503 22.549 1.00 0.00 O ATOM 1200 CB LEU B 8 19.828 16.132 22.518 1.00 0.00 C ATOM 1201 CG LEU B 8 20.203 14.966 23.464 1.00 0.00 C ATOM 1202 CD1 LEU B 8 20.631 15.459 24.853 1.00 0.00 C ATOM 1203 CD2 LEU B 8 19.010 14.029 23.668 1.00 0.00 C ATOM 0 H LEU B 8 22.139 15.048 20.988 1.00 0.00 H new ATOM 0 HA LEU B 8 20.602 17.517 21.058 1.00 0.00 H new ATOM 0 HB2 LEU B 8 19.456 16.960 23.122 1.00 0.00 H new ATOM 0 HB3 LEU B 8 19.006 15.808 21.880 1.00 0.00 H new ATOM 0 HG LEU B 8 21.035 14.448 22.986 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.884 14.604 25.480 1.00 0.00 H new ATOM 0 HD12 LEU B 8 21.501 16.109 24.756 1.00 0.00 H new ATOM 0 HD13 LEU B 8 19.812 16.015 25.310 1.00 0.00 H new ATOM 0 HD21 LEU B 8 19.296 13.217 24.336 1.00 0.00 H new ATOM 0 HD22 LEU B 8 18.181 14.585 24.106 1.00 0.00 H new ATOM 0 HD23 LEU B 8 18.702 13.617 22.707 1.00 0.00 H new ATOM 1215 N THR B 9 22.006 18.367 23.032 1.00 0.00 N ATOM 1216 CA THR B 9 22.986 19.000 23.935 1.00 0.00 C ATOM 1217 C THR B 9 22.388 19.179 25.338 1.00 0.00 C ATOM 1218 O THR B 9 21.276 19.700 25.486 1.00 0.00 O ATOM 1219 CB THR B 9 23.468 20.357 23.387 1.00 0.00 C ATOM 1220 OG1 THR B 9 23.869 20.259 22.034 1.00 0.00 O ATOM 1221 CG2 THR B 9 24.676 20.889 24.160 1.00 0.00 C ATOM 0 H THR B 9 21.170 18.936 22.898 1.00 0.00 H new ATOM 0 HA THR B 9 23.849 18.338 23.998 1.00 0.00 H new ATOM 0 HB THR B 9 22.618 21.030 23.494 1.00 0.00 H new ATOM 0 HG1 THR B 9 24.167 21.137 21.717 1.00 0.00 H new ATOM 0 HG21 THR B 9 24.983 21.847 23.741 1.00 0.00 H new ATOM 0 HG22 THR B 9 24.408 21.021 25.208 1.00 0.00 H new ATOM 0 HG23 THR B 9 25.499 20.179 24.083 1.00 0.00 H new ATOM 1229 N LYS B 10 23.123 18.747 26.369 1.00 0.00 N ATOM 1230 CA LYS B 10 22.762 18.849 27.798 1.00 0.00 C ATOM 1231 C LYS B 10 23.004 20.257 28.362 1.00 0.00 C ATOM 1232 O LYS B 10 23.772 21.036 27.796 1.00 0.00 O ATOM 1233 CB LYS B 10 23.545 17.787 28.597 1.00 0.00 C ATOM 1234 CG LYS B 10 23.223 16.350 28.143 1.00 0.00 C ATOM 1235 CD LYS B 10 23.884 15.283 29.025 1.00 0.00 C ATOM 1236 CE LYS B 10 25.414 15.278 28.882 1.00 0.00 C ATOM 1237 NZ LYS B 10 26.025 14.208 29.715 1.00 0.00 N1+ ATOM 0 H LYS B 10 24.027 18.296 26.230 1.00 0.00 H new ATOM 0 HA LYS B 10 21.693 18.662 27.894 1.00 0.00 H new ATOM 0 HB2 LYS B 10 24.614 17.969 28.486 1.00 0.00 H new ATOM 0 HB3 LYS B 10 23.313 17.890 29.657 1.00 0.00 H new ATOM 0 HG2 LYS B 10 22.143 16.205 28.153 1.00 0.00 H new ATOM 0 HG3 LYS B 10 23.553 16.217 27.113 1.00 0.00 H new ATOM 0 HD2 LYS B 10 23.619 15.460 30.067 1.00 0.00 H new ATOM 0 HD3 LYS B 10 23.493 14.301 28.759 1.00 0.00 H new ATOM 0 HE2 LYS B 10 25.684 15.129 27.837 1.00 0.00 H new ATOM 0 HE3 LYS B 10 25.814 16.248 29.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 27.058 14.226 29.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 25.785 14.366 30.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 25.660 13.282 29.414 1.00 0.00 H new ATOM 1251 N ALA B 11 22.422 20.556 29.526 1.00 0.00 N ATOM 1252 CA ALA B 11 22.623 21.823 30.247 1.00 0.00 C ATOM 1253 C ALA B 11 24.087 22.067 30.692 1.00 0.00 C ATOM 1254 O ALA B 11 24.514 23.216 30.836 1.00 0.00 O ATOM 1255 CB ALA B 11 21.673 21.837 31.451 1.00 0.00 C ATOM 0 H ALA B 11 21.787 19.917 30.005 1.00 0.00 H new ATOM 0 HA ALA B 11 22.401 22.641 29.561 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.801 22.767 32.005 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.643 21.761 31.103 1.00 0.00 H new ATOM 0 HB3 ALA B 11 21.899 20.993 32.103 1.00 0.00 H new ATOM 1261 N ASP B 12 24.871 20.996 30.867 1.00 0.00 N ATOM 1262 CA ASP B 12 26.323 21.048 31.150 1.00 0.00 C ATOM 1263 C ASP B 12 27.190 21.311 29.901 1.00 0.00 C ATOM 1264 O ASP B 12 28.417 21.406 29.998 1.00 0.00 O ATOM 1265 CB ASP B 12 26.745 19.737 31.838 1.00 0.00 C ATOM 1266 CG ASP B 12 26.065 19.467 33.195 1.00 0.00 C ATOM 1267 OD1 ASP B 12 25.572 20.410 33.862 1.00 0.00 O ATOM 1268 OD2 ASP B 12 26.054 18.290 33.632 1.00 0.00 O1- ATOM 0 H ASP B 12 24.511 20.043 30.816 1.00 0.00 H new ATOM 0 HA ASP B 12 26.495 21.899 31.808 1.00 0.00 H new ATOM 0 HB2 ASP B 12 26.527 18.906 31.167 1.00 0.00 H new ATOM 0 HB3 ASP B 12 27.825 19.753 31.986 1.00 0.00 H new ATOM 1273 N GLY B 13 26.581 21.418 28.712 1.00 0.00 N ATOM 1274 CA GLY B 13 27.252 21.656 27.425 1.00 0.00 C ATOM 1275 C GLY B 13 27.780 20.403 26.710 1.00 0.00 C ATOM 1276 O GLY B 13 28.263 20.505 25.580 1.00 0.00 O ATOM 0 H GLY B 13 25.569 21.338 28.616 1.00 0.00 H new ATOM 0 HA2 GLY B 13 26.554 22.165 26.760 1.00 0.00 H new ATOM 0 HA3 GLY B 13 28.087 22.337 27.591 1.00 0.00 H new ATOM 1280 N GLY B 14 27.685 19.218 27.325 1.00 0.00 N ATOM 1281 CA GLY B 14 28.008 17.932 26.692 1.00 0.00 C ATOM 1282 C GLY B 14 26.914 17.476 25.717 1.00 0.00 C ATOM 1283 O GLY B 14 25.748 17.842 25.877 1.00 0.00 O ATOM 0 H GLY B 14 27.376 19.123 28.293 1.00 0.00 H new ATOM 0 HA2 GLY B 14 28.955 18.019 26.159 1.00 0.00 H new ATOM 0 HA3 GLY B 14 28.145 17.174 27.463 1.00 0.00 H new ATOM 1287 N ARG B 15 27.271 16.669 24.711 1.00 0.00 N ATOM 1288 CA ARG B 15 26.348 16.159 23.680 1.00 0.00 C ATOM 1289 C ARG B 15 26.103 14.652 23.788 1.00 0.00 C ATOM 1290 O ARG B 15 26.962 13.906 24.264 1.00 0.00 O ATOM 1291 CB ARG B 15 26.836 16.563 22.278 1.00 0.00 C ATOM 1292 CG ARG B 15 26.649 18.073 22.055 1.00 0.00 C ATOM 1293 CD ARG B 15 27.043 18.532 20.646 1.00 0.00 C ATOM 1294 NE ARG B 15 28.497 18.396 20.394 1.00 0.00 N ATOM 1295 CZ ARG B 15 29.464 19.223 20.757 1.00 0.00 C ATOM 1296 NH1 ARG B 15 30.705 18.963 20.450 1.00 0.00 N1+ ATOM 1297 NH2 ARG B 15 29.232 20.317 21.431 1.00 0.00 N ATOM 0 H ARG B 15 28.229 16.343 24.585 1.00 0.00 H new ATOM 0 HA ARG B 15 25.378 16.625 23.855 1.00 0.00 H new ATOM 0 HB2 ARG B 15 27.888 16.300 22.163 1.00 0.00 H new ATOM 0 HB3 ARG B 15 26.284 16.007 21.520 1.00 0.00 H new ATOM 0 HG2 ARG B 15 25.606 18.333 22.236 1.00 0.00 H new ATOM 0 HG3 ARG B 15 27.245 18.618 22.787 1.00 0.00 H new ATOM 0 HD2 ARG B 15 26.493 17.947 19.909 1.00 0.00 H new ATOM 0 HD3 ARG B 15 26.749 19.573 20.510 1.00 0.00 H new ATOM 0 HE ARG B 15 28.787 17.565 19.879 1.00 0.00 H new ATOM 0 HH11 ARG B 15 30.935 18.118 19.927 1.00 0.00 H new ATOM 0 HH12 ARG B 15 31.446 19.605 20.733 1.00 0.00 H new ATOM 0 HH21 ARG B 15 28.278 20.560 21.696 1.00 0.00 H new ATOM 0 HH22 ARG B 15 30.005 20.929 21.692 1.00 0.00 H new ATOM 1311 N VAL B 16 24.927 14.219 23.326 1.00 0.00 N ATOM 1312 CA VAL B 16 24.435 12.833 23.373 1.00 0.00 C ATOM 1313 C VAL B 16 23.806 12.457 22.025 1.00 0.00 C ATOM 1314 O VAL B 16 23.112 13.270 21.416 1.00 0.00 O ATOM 1315 CB VAL B 16 23.433 12.643 24.539 1.00 0.00 C ATOM 1316 CG1 VAL B 16 22.842 11.225 24.599 1.00 0.00 C ATOM 1317 CG2 VAL B 16 24.062 12.945 25.910 1.00 0.00 C ATOM 0 H VAL B 16 24.258 14.852 22.888 1.00 0.00 H new ATOM 0 HA VAL B 16 25.276 12.164 23.557 1.00 0.00 H new ATOM 0 HB VAL B 16 22.638 13.358 24.329 1.00 0.00 H new ATOM 0 HG11 VAL B 16 22.148 11.155 25.437 1.00 0.00 H new ATOM 0 HG12 VAL B 16 22.313 11.012 23.670 1.00 0.00 H new ATOM 0 HG13 VAL B 16 23.646 10.501 24.733 1.00 0.00 H new ATOM 0 HG21 VAL B 16 23.318 12.797 26.692 1.00 0.00 H new ATOM 0 HG22 VAL B 16 24.905 12.275 26.079 1.00 0.00 H new ATOM 0 HG23 VAL B 16 24.410 13.978 25.931 1.00 0.00 H new ATOM 1327 N GLU B 17 24.031 11.221 21.576 1.00 0.00 N ATOM 1328 CA GLU B 17 23.455 10.642 20.355 1.00 0.00 C ATOM 1329 C GLU B 17 22.716 9.324 20.644 1.00 0.00 C ATOM 1330 O GLU B 17 23.138 8.534 21.495 1.00 0.00 O ATOM 1331 CB GLU B 17 24.540 10.428 19.281 1.00 0.00 C ATOM 1332 CG GLU B 17 25.164 11.729 18.764 1.00 0.00 C ATOM 1333 CD GLU B 17 26.227 11.447 17.686 1.00 0.00 C ATOM 1334 OE1 GLU B 17 27.434 11.381 18.025 1.00 0.00 O ATOM 1335 OE2 GLU B 17 25.871 11.280 16.492 1.00 0.00 O1- ATOM 0 H GLU B 17 24.642 10.569 22.069 1.00 0.00 H new ATOM 0 HA GLU B 17 22.725 11.355 19.973 1.00 0.00 H new ATOM 0 HB2 GLU B 17 25.327 9.797 19.694 1.00 0.00 H new ATOM 0 HB3 GLU B 17 24.105 9.886 18.441 1.00 0.00 H new ATOM 0 HG2 GLU B 17 24.385 12.370 18.351 1.00 0.00 H new ATOM 0 HG3 GLU B 17 25.618 12.272 19.593 1.00 0.00 H new ATOM 1342 N ILE B 18 21.634 9.066 19.904 1.00 0.00 N ATOM 1343 CA ILE B 18 20.821 7.841 19.987 1.00 0.00 C ATOM 1344 C ILE B 18 20.627 7.290 18.568 1.00 0.00 C ATOM 1345 O ILE B 18 19.942 7.904 17.748 1.00 0.00 O ATOM 1346 CB ILE B 18 19.466 8.114 20.685 1.00 0.00 C ATOM 1347 CG1 ILE B 18 19.629 8.703 22.108 1.00 0.00 C ATOM 1348 CG2 ILE B 18 18.631 6.820 20.759 1.00 0.00 C ATOM 1349 CD1 ILE B 18 18.356 9.386 22.619 1.00 0.00 C ATOM 0 H ILE B 18 21.285 9.723 19.206 1.00 0.00 H new ATOM 0 HA ILE B 18 21.336 7.097 20.595 1.00 0.00 H new ATOM 0 HB ILE B 18 18.951 8.860 20.079 1.00 0.00 H new ATOM 0 HG12 ILE B 18 19.909 7.905 22.796 1.00 0.00 H new ATOM 0 HG13 ILE B 18 20.447 9.424 22.106 1.00 0.00 H new ATOM 0 HG21 ILE B 18 17.681 7.027 21.252 1.00 0.00 H new ATOM 0 HG22 ILE B 18 18.443 6.450 19.751 1.00 0.00 H new ATOM 0 HG23 ILE B 18 19.177 6.066 21.326 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.531 9.779 23.620 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.088 10.204 21.950 1.00 0.00 H new ATOM 0 HD13 ILE B 18 17.542 8.662 22.651 1.00 0.00 H new ATOM 1361 N GLY B 19 21.248 6.147 18.267 1.00 0.00 N ATOM 1362 CA GLY B 19 21.178 5.495 16.949 1.00 0.00 C ATOM 1363 C GLY B 19 19.916 4.641 16.738 1.00 0.00 C ATOM 1364 O GLY B 19 19.331 4.120 17.692 1.00 0.00 O ATOM 0 H GLY B 19 21.823 5.638 18.939 1.00 0.00 H new ATOM 0 HA2 GLY B 19 21.220 6.260 16.174 1.00 0.00 H new ATOM 0 HA3 GLY B 19 22.057 4.863 16.821 1.00 0.00 H new ATOM 1368 N ASP B 20 19.529 4.461 15.471 1.00 0.00 N ATOM 1369 CA ASP B 20 18.470 3.554 14.994 1.00 0.00 C ATOM 1370 C ASP B 20 17.122 3.740 15.720 1.00 0.00 C ATOM 1371 O ASP B 20 16.554 2.801 16.293 1.00 0.00 O ATOM 1372 CB ASP B 20 18.977 2.097 14.959 1.00 0.00 C ATOM 1373 CG ASP B 20 20.232 1.867 14.092 1.00 0.00 C ATOM 1374 OD1 ASP B 20 20.565 2.699 13.212 1.00 0.00 O ATOM 1375 OD2 ASP B 20 20.892 0.815 14.273 1.00 0.00 O1- ATOM 0 H ASP B 20 19.969 4.971 14.705 1.00 0.00 H new ATOM 0 HA ASP B 20 18.239 3.831 13.965 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.194 1.779 15.979 1.00 0.00 H new ATOM 0 HB3 ASP B 20 18.176 1.457 14.589 1.00 0.00 H new ATOM 1380 N VAL B 21 16.615 4.977 15.725 1.00 0.00 N ATOM 1381 CA VAL B 21 15.332 5.342 16.339 1.00 0.00 C ATOM 1382 C VAL B 21 14.139 4.970 15.452 1.00 0.00 C ATOM 1383 O VAL B 21 14.120 5.238 14.248 1.00 0.00 O ATOM 1384 CB VAL B 21 15.277 6.825 16.755 1.00 0.00 C ATOM 1385 CG1 VAL B 21 16.304 7.098 17.858 1.00 0.00 C ATOM 1386 CG2 VAL B 21 15.512 7.833 15.628 1.00 0.00 C ATOM 0 H VAL B 21 17.093 5.768 15.294 1.00 0.00 H new ATOM 0 HA VAL B 21 15.257 4.751 17.252 1.00 0.00 H new ATOM 0 HB VAL B 21 14.253 6.974 17.096 1.00 0.00 H new ATOM 0 HG11 VAL B 21 16.258 8.148 18.146 1.00 0.00 H new ATOM 0 HG12 VAL B 21 16.082 6.474 18.724 1.00 0.00 H new ATOM 0 HG13 VAL B 21 17.303 6.866 17.490 1.00 0.00 H new ATOM 0 HG21 VAL B 21 15.452 8.846 16.027 1.00 0.00 H new ATOM 0 HG22 VAL B 21 16.499 7.671 15.195 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.752 7.701 14.858 1.00 0.00 H new ATOM 1396 N LEU B 22 13.103 4.393 16.068 1.00 0.00 N ATOM 1397 CA LEU B 22 11.794 4.148 15.459 1.00 0.00 C ATOM 1398 C LEU B 22 10.899 5.397 15.491 1.00 0.00 C ATOM 1399 O LEU B 22 10.108 5.603 14.569 1.00 0.00 O ATOM 1400 CB LEU B 22 11.072 3.012 16.218 1.00 0.00 C ATOM 1401 CG LEU B 22 11.683 1.605 16.066 1.00 0.00 C ATOM 1402 CD1 LEU B 22 10.947 0.631 16.981 1.00 0.00 C ATOM 1403 CD2 LEU B 22 11.565 1.062 14.645 1.00 0.00 C ATOM 0 H LEU B 22 13.155 4.074 17.035 1.00 0.00 H new ATOM 0 HA LEU B 22 11.969 3.873 14.419 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.052 3.265 17.278 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.037 2.976 15.879 1.00 0.00 H new ATOM 0 HG LEU B 22 12.738 1.695 16.323 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.378 -0.365 16.875 1.00 0.00 H new ATOM 0 HD12 LEU B 22 11.044 0.960 18.016 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.892 0.601 16.707 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.012 0.069 14.597 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.513 1.001 14.365 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.086 1.728 13.957 1.00 0.00 H new ATOM 1415 N GLU B 23 10.986 6.218 16.546 1.00 0.00 N ATOM 1416 CA GLU B 23 10.031 7.311 16.778 1.00 0.00 C ATOM 1417 C GLU B 23 10.600 8.393 17.704 1.00 0.00 C ATOM 1418 O GLU B 23 11.293 8.088 18.677 1.00 0.00 O ATOM 1419 CB GLU B 23 8.732 6.704 17.349 1.00 0.00 C ATOM 1420 CG GLU B 23 7.600 7.726 17.514 1.00 0.00 C ATOM 1421 CD GLU B 23 6.237 7.060 17.777 1.00 0.00 C ATOM 1422 OE1 GLU B 23 5.462 7.586 18.611 1.00 0.00 O ATOM 1423 OE2 GLU B 23 5.928 6.013 17.155 1.00 0.00 O1- ATOM 0 H GLU B 23 11.713 6.145 17.257 1.00 0.00 H new ATOM 0 HA GLU B 23 9.823 7.811 15.832 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.395 5.903 16.691 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.947 6.252 18.317 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.838 8.397 18.340 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.534 8.338 16.615 1.00 0.00 H new ATOM 1430 N VAL B 24 10.290 9.662 17.419 1.00 0.00 N ATOM 1431 CA VAL B 24 10.748 10.843 18.181 1.00 0.00 C ATOM 1432 C VAL B 24 9.598 11.847 18.283 1.00 0.00 C ATOM 1433 O VAL B 24 8.920 12.090 17.287 1.00 0.00 O ATOM 1434 CB VAL B 24 11.964 11.527 17.519 1.00 0.00 C ATOM 1435 CG1 VAL B 24 12.655 12.462 18.519 1.00 0.00 C ATOM 1436 CG2 VAL B 24 12.999 10.537 16.964 1.00 0.00 C ATOM 0 H VAL B 24 9.695 9.910 16.628 1.00 0.00 H new ATOM 0 HA VAL B 24 11.057 10.505 19.170 1.00 0.00 H new ATOM 0 HB VAL B 24 11.568 12.089 16.673 1.00 0.00 H new ATOM 0 HG11 VAL B 24 13.511 12.938 18.040 1.00 0.00 H new ATOM 0 HG12 VAL B 24 11.951 13.227 18.848 1.00 0.00 H new ATOM 0 HG13 VAL B 24 12.995 11.887 19.380 1.00 0.00 H new ATOM 0 HG21 VAL B 24 13.825 11.088 16.514 1.00 0.00 H new ATOM 0 HG22 VAL B 24 13.377 9.914 17.774 1.00 0.00 H new ATOM 0 HG23 VAL B 24 12.530 9.905 16.209 1.00 0.00 H new ATOM 1446 N ARG B 25 9.346 12.438 19.456 1.00 0.00 N ATOM 1447 CA ARG B 25 8.231 13.390 19.649 1.00 0.00 C ATOM 1448 C ARG B 25 8.423 14.337 20.830 1.00 0.00 C ATOM 1449 O ARG B 25 8.932 13.940 21.875 1.00 0.00 O ATOM 1450 CB ARG B 25 6.864 12.671 19.718 1.00 0.00 C ATOM 1451 CG ARG B 25 6.617 11.663 20.856 1.00 0.00 C ATOM 1452 CD ARG B 25 7.514 10.423 20.815 1.00 0.00 C ATOM 1453 NE ARG B 25 7.044 9.370 21.731 1.00 0.00 N ATOM 1454 CZ ARG B 25 7.717 8.286 22.090 1.00 0.00 C ATOM 1455 NH1 ARG B 25 8.897 8.002 21.615 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 25 7.214 7.474 22.963 1.00 0.00 N ATOM 0 H ARG B 25 9.901 12.276 20.296 1.00 0.00 H new ATOM 0 HA ARG B 25 8.237 14.021 18.760 1.00 0.00 H new ATOM 0 HB2 ARG B 25 6.090 13.436 19.780 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.718 12.146 18.774 1.00 0.00 H new ATOM 0 HG2 ARG B 25 6.763 12.169 21.810 1.00 0.00 H new ATOM 0 HG3 ARG B 25 5.576 11.343 20.821 1.00 0.00 H new ATOM 0 HD2 ARG B 25 7.545 10.031 19.798 1.00 0.00 H new ATOM 0 HD3 ARG B 25 8.533 10.704 21.079 1.00 0.00 H new ATOM 0 HE ARG B 25 6.111 9.486 22.127 1.00 0.00 H new ATOM 0 HH11 ARG B 25 9.338 8.625 20.939 1.00 0.00 H new ATOM 0 HH12 ARG B 25 9.379 7.156 21.919 1.00 0.00 H new ATOM 0 HH21 ARG B 25 6.301 7.669 23.374 1.00 0.00 H new ATOM 0 HH22 ARG B 25 7.731 6.639 23.240 1.00 0.00 H new ATOM 1470 N ALA B 26 7.991 15.581 20.650 1.00 0.00 N ATOM 1471 CA ALA B 26 7.947 16.622 21.668 1.00 0.00 C ATOM 1472 C ALA B 26 6.540 16.689 22.296 1.00 0.00 C ATOM 1473 O ALA B 26 5.539 16.881 21.600 1.00 0.00 O ATOM 1474 CB ALA B 26 8.369 17.947 21.029 1.00 0.00 C ATOM 0 H ALA B 26 7.646 15.905 19.747 1.00 0.00 H new ATOM 0 HA ALA B 26 8.640 16.399 22.479 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.341 18.738 21.779 1.00 0.00 H new ATOM 0 HB2 ALA B 26 9.381 17.855 20.636 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.685 18.193 20.217 1.00 0.00 H new ATOM 1480 N GLU B 27 6.461 16.527 23.615 1.00 0.00 N ATOM 1481 CA GLU B 27 5.214 16.444 24.385 1.00 0.00 C ATOM 1482 C GLU B 27 5.427 16.887 25.843 1.00 0.00 C ATOM 1483 O GLU B 27 6.393 16.478 26.495 1.00 0.00 O ATOM 1484 CB GLU B 27 4.665 15.008 24.290 1.00 0.00 C ATOM 1485 CG GLU B 27 3.243 14.830 24.853 1.00 0.00 C ATOM 1486 CD GLU B 27 3.185 14.572 26.377 1.00 0.00 C ATOM 1487 OE1 GLU B 27 2.365 15.221 27.071 1.00 0.00 O ATOM 1488 OE2 GLU B 27 3.925 13.699 26.895 1.00 0.00 O1- ATOM 0 H GLU B 27 7.292 16.447 24.202 1.00 0.00 H new ATOM 0 HA GLU B 27 4.478 17.129 23.964 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.670 14.699 23.245 1.00 0.00 H new ATOM 0 HB3 GLU B 27 5.340 14.338 24.823 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.661 15.723 24.626 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.763 13.998 24.338 1.00 0.00 H new ATOM 1495 N GLY B 28 4.527 17.720 26.377 1.00 0.00 N ATOM 1496 CA GLY B 28 4.535 18.131 27.790 1.00 0.00 C ATOM 1497 C GLY B 28 5.751 18.963 28.228 1.00 0.00 C ATOM 1498 O GLY B 28 6.121 18.943 29.407 1.00 0.00 O ATOM 0 H GLY B 28 3.765 18.133 25.838 1.00 0.00 H new ATOM 0 HA2 GLY B 28 3.631 18.707 27.988 1.00 0.00 H new ATOM 0 HA3 GLY B 28 4.485 17.237 28.411 1.00 0.00 H new ATOM 1502 N GLY B 29 6.410 19.665 27.294 1.00 0.00 N ATOM 1503 CA GLY B 29 7.657 20.409 27.547 1.00 0.00 C ATOM 1504 C GLY B 29 8.919 19.533 27.620 1.00 0.00 C ATOM 1505 O GLY B 29 9.919 19.943 28.211 1.00 0.00 O ATOM 0 H GLY B 29 6.089 19.734 26.328 1.00 0.00 H new ATOM 0 HA2 GLY B 29 7.789 21.150 26.758 1.00 0.00 H new ATOM 0 HA3 GLY B 29 7.555 20.956 28.484 1.00 0.00 H new ATOM 1509 N ALA B 30 8.878 18.325 27.046 1.00 0.00 N ATOM 1510 CA ALA B 30 9.974 17.360 26.973 1.00 0.00 C ATOM 1511 C ALA B 30 10.000 16.662 25.596 1.00 0.00 C ATOM 1512 O ALA B 30 9.012 16.694 24.861 1.00 0.00 O ATOM 1513 CB ALA B 30 9.795 16.340 28.107 1.00 0.00 C ATOM 0 H ALA B 30 8.031 17.978 26.596 1.00 0.00 H new ATOM 0 HA ALA B 30 10.929 17.873 27.089 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.603 15.610 28.071 1.00 0.00 H new ATOM 0 HB2 ALA B 30 9.815 16.856 29.067 1.00 0.00 H new ATOM 0 HB3 ALA B 30 8.839 15.829 27.989 1.00 0.00 H new ATOM 1519 N VAL B 31 11.098 15.976 25.264 1.00 0.00 N ATOM 1520 CA VAL B 31 11.161 15.034 24.121 1.00 0.00 C ATOM 1521 C VAL B 31 11.247 13.587 24.596 1.00 0.00 C ATOM 1522 O VAL B 31 11.986 13.282 25.529 1.00 0.00 O ATOM 1523 CB VAL B 31 12.301 15.386 23.140 1.00 0.00 C ATOM 1524 CG1 VAL B 31 12.519 14.311 22.059 1.00 0.00 C ATOM 1525 CG2 VAL B 31 11.955 16.681 22.398 1.00 0.00 C ATOM 0 H VAL B 31 11.976 16.052 25.777 1.00 0.00 H new ATOM 0 HA VAL B 31 10.229 15.140 23.566 1.00 0.00 H new ATOM 0 HB VAL B 31 13.203 15.475 23.745 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.333 14.616 21.401 1.00 0.00 H new ATOM 0 HG12 VAL B 31 12.773 13.363 22.534 1.00 0.00 H new ATOM 0 HG13 VAL B 31 11.606 14.191 21.476 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.759 16.930 21.706 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.027 16.545 21.843 1.00 0.00 H new ATOM 0 HG23 VAL B 31 11.832 17.491 23.117 1.00 0.00 H new ATOM 1535 N ARG B 32 10.529 12.691 23.913 1.00 0.00 N ATOM 1536 CA ARG B 32 10.642 11.230 24.027 1.00 0.00 C ATOM 1537 C ARG B 32 11.188 10.608 22.738 1.00 0.00 C ATOM 1538 O ARG B 32 10.927 11.105 21.642 1.00 0.00 O ATOM 1539 CB ARG B 32 9.289 10.606 24.407 1.00 0.00 C ATOM 1540 CG ARG B 32 8.914 10.863 25.875 1.00 0.00 C ATOM 1541 CD ARG B 32 7.537 10.297 26.248 1.00 0.00 C ATOM 1542 NE ARG B 32 7.475 8.821 26.143 1.00 0.00 N ATOM 1543 CZ ARG B 32 6.506 8.038 26.582 1.00 0.00 C ATOM 1544 NH1 ARG B 32 5.459 8.504 27.214 1.00 0.00 N1+ ATOM 1545 NH2 ARG B 32 6.568 6.755 26.386 1.00 0.00 N ATOM 0 H ARG B 32 9.821 12.974 23.235 1.00 0.00 H new ATOM 0 HA ARG B 32 11.354 11.014 24.824 1.00 0.00 H new ATOM 0 HB2 ARG B 32 8.511 11.012 23.760 1.00 0.00 H new ATOM 0 HB3 ARG B 32 9.325 9.532 24.227 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.671 10.419 26.521 1.00 0.00 H new ATOM 0 HG3 ARG B 32 8.923 11.936 26.065 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.291 10.595 27.267 1.00 0.00 H new ATOM 0 HD3 ARG B 32 6.781 10.735 25.597 1.00 0.00 H new ATOM 0 HE ARG B 32 8.262 8.362 25.684 1.00 0.00 H new ATOM 0 HH11 ARG B 32 5.370 9.506 27.383 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.732 7.865 27.537 1.00 0.00 H new ATOM 0 HH21 ARG B 32 7.365 6.352 25.893 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.820 6.151 26.725 1.00 0.00 H new ATOM 1559 N VAL B 33 11.917 9.506 22.879 1.00 0.00 N ATOM 1560 CA VAL B 33 12.581 8.756 21.802 1.00 0.00 C ATOM 1561 C VAL B 33 12.347 7.260 21.998 1.00 0.00 C ATOM 1562 O VAL B 33 12.434 6.781 23.126 1.00 0.00 O ATOM 1563 CB VAL B 33 14.102 9.032 21.764 1.00 0.00 C ATOM 1564 CG1 VAL B 33 14.702 8.630 20.418 1.00 0.00 C ATOM 1565 CG2 VAL B 33 14.494 10.496 22.042 1.00 0.00 C ATOM 0 H VAL B 33 12.073 9.084 23.794 1.00 0.00 H new ATOM 0 HA VAL B 33 12.152 9.086 20.856 1.00 0.00 H new ATOM 0 HB VAL B 33 14.505 8.423 22.574 1.00 0.00 H new ATOM 0 HG11 VAL B 33 15.772 8.836 20.421 1.00 0.00 H new ATOM 0 HG12 VAL B 33 14.537 7.566 20.250 1.00 0.00 H new ATOM 0 HG13 VAL B 33 14.225 9.201 19.622 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.578 10.598 21.995 1.00 0.00 H new ATOM 0 HG22 VAL B 33 14.036 11.144 21.294 1.00 0.00 H new ATOM 0 HG23 VAL B 33 14.145 10.784 23.034 1.00 0.00 H new ATOM 1575 N THR B 34 12.111 6.515 20.920 1.00 0.00 N ATOM 1576 CA THR B 34 11.981 5.043 20.921 1.00 0.00 C ATOM 1577 C THR B 34 13.006 4.421 19.972 1.00 0.00 C ATOM 1578 O THR B 34 13.136 4.865 18.832 1.00 0.00 O ATOM 1579 CB THR B 34 10.560 4.611 20.514 1.00 0.00 C ATOM 1580 OG1 THR B 34 9.586 5.236 21.326 1.00 0.00 O ATOM 1581 CG2 THR B 34 10.337 3.106 20.650 1.00 0.00 C ATOM 0 H THR B 34 12.000 6.922 19.991 1.00 0.00 H new ATOM 0 HA THR B 34 12.169 4.689 21.935 1.00 0.00 H new ATOM 0 HB THR B 34 10.461 4.907 19.470 1.00 0.00 H new ATOM 0 HG1 THR B 34 8.692 4.947 21.046 1.00 0.00 H new ATOM 0 HG21 THR B 34 9.318 2.860 20.349 1.00 0.00 H new ATOM 0 HG22 THR B 34 11.042 2.574 20.011 1.00 0.00 H new ATOM 0 HG23 THR B 34 10.491 2.808 21.687 1.00 0.00 H new ATOM 1589 N THR B 35 13.723 3.384 20.409 1.00 0.00 N ATOM 1590 CA THR B 35 14.727 2.644 19.613 1.00 0.00 C ATOM 1591 C THR B 35 14.203 1.291 19.115 1.00 0.00 C ATOM 1592 O THR B 35 13.196 0.776 19.606 1.00 0.00 O ATOM 1593 CB THR B 35 16.034 2.429 20.395 1.00 0.00 C ATOM 1594 OG1 THR B 35 15.837 1.525 21.459 1.00 0.00 O ATOM 1595 CG2 THR B 35 16.636 3.727 20.946 1.00 0.00 C ATOM 0 H THR B 35 13.624 3.018 21.356 1.00 0.00 H new ATOM 0 HA THR B 35 14.932 3.271 18.745 1.00 0.00 H new ATOM 0 HB THR B 35 16.743 2.019 19.676 1.00 0.00 H new ATOM 0 HG1 THR B 35 15.163 1.884 22.073 1.00 0.00 H new ATOM 0 HG21 THR B 35 17.556 3.501 21.486 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.857 4.405 20.121 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.924 4.199 21.623 1.00 0.00 H new ATOM 1603 N LEU B 36 14.907 0.685 18.151 1.00 0.00 N ATOM 1604 CA LEU B 36 14.598 -0.652 17.613 1.00 0.00 C ATOM 1605 C LEU B 36 14.606 -1.794 18.654 1.00 0.00 C ATOM 1606 O LEU B 36 14.040 -2.856 18.403 1.00 0.00 O ATOM 1607 CB LEU B 36 15.539 -0.959 16.428 1.00 0.00 C ATOM 1608 CG LEU B 36 16.952 -1.482 16.764 1.00 0.00 C ATOM 1609 CD1 LEU B 36 17.698 -1.801 15.466 1.00 0.00 C ATOM 1610 CD2 LEU B 36 17.781 -0.478 17.564 1.00 0.00 C ATOM 0 H LEU B 36 15.722 1.115 17.713 1.00 0.00 H new ATOM 0 HA LEU B 36 13.563 -0.613 17.273 1.00 0.00 H new ATOM 0 HB2 LEU B 36 15.050 -1.695 15.790 1.00 0.00 H new ATOM 0 HB3 LEU B 36 15.647 -0.049 15.839 1.00 0.00 H new ATOM 0 HG LEU B 36 16.822 -2.373 17.378 1.00 0.00 H new ATOM 0 HD11 LEU B 36 18.696 -2.170 15.701 1.00 0.00 H new ATOM 0 HD12 LEU B 36 17.151 -2.562 14.910 1.00 0.00 H new ATOM 0 HD13 LEU B 36 17.779 -0.898 14.861 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.764 -0.901 17.771 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.895 0.441 16.988 1.00 0.00 H new ATOM 0 HD23 LEU B 36 17.276 -0.257 18.504 1.00 0.00 H new ATOM 1622 N PHE B 37 15.225 -1.585 19.821 1.00 0.00 N ATOM 1623 CA PHE B 37 15.236 -2.522 20.954 1.00 0.00 C ATOM 1624 C PHE B 37 13.937 -2.485 21.796 1.00 0.00 C ATOM 1625 O PHE B 37 13.826 -3.210 22.789 1.00 0.00 O ATOM 1626 CB PHE B 37 16.459 -2.226 21.839 1.00 0.00 C ATOM 1627 CG PHE B 37 17.797 -2.190 21.119 1.00 0.00 C ATOM 1628 CD1 PHE B 37 18.580 -1.020 21.140 1.00 0.00 C ATOM 1629 CD2 PHE B 37 18.265 -3.331 20.442 1.00 0.00 C ATOM 1630 CE1 PHE B 37 19.819 -0.989 20.475 1.00 0.00 C ATOM 1631 CE2 PHE B 37 19.500 -3.299 19.770 1.00 0.00 C ATOM 1632 CZ PHE B 37 20.284 -2.127 19.785 1.00 0.00 C ATOM 0 H PHE B 37 15.750 -0.731 20.011 1.00 0.00 H new ATOM 0 HA PHE B 37 15.297 -3.530 20.543 1.00 0.00 H new ATOM 0 HB2 PHE B 37 16.305 -1.265 22.331 1.00 0.00 H new ATOM 0 HB3 PHE B 37 16.509 -2.981 22.623 1.00 0.00 H new ATOM 0 HD1 PHE B 37 18.229 -0.145 21.667 1.00 0.00 H new ATOM 0 HD2 PHE B 37 17.674 -4.235 20.438 1.00 0.00 H new ATOM 0 HE1 PHE B 37 20.417 -0.090 20.493 1.00 0.00 H new ATOM 0 HE2 PHE B 37 19.849 -4.174 19.241 1.00 0.00 H new ATOM 0 HZ PHE B 37 21.234 -2.101 19.272 1.00 0.00 H new ATOM 1642 N ASP B 38 12.981 -1.614 21.443 1.00 0.00 N ATOM 1643 CA ASP B 38 11.831 -1.210 22.270 1.00 0.00 C ATOM 1644 C ASP B 38 12.225 -0.528 23.602 1.00 0.00 C ATOM 1645 O ASP B 38 11.424 -0.418 24.532 1.00 0.00 O ATOM 1646 CB ASP B 38 10.823 -2.370 22.428 1.00 0.00 C ATOM 1647 CG ASP B 38 9.405 -1.927 22.844 1.00 0.00 C ATOM 1648 OD1 ASP B 38 8.687 -2.752 23.465 1.00 0.00 O ATOM 1649 OD2 ASP B 38 8.977 -0.792 22.512 1.00 0.00 O1- ATOM 0 H ASP B 38 12.987 -1.151 20.534 1.00 0.00 H new ATOM 0 HA ASP B 38 11.313 -0.420 21.727 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.759 -2.912 21.484 1.00 0.00 H new ATOM 0 HB3 ASP B 38 11.205 -3.069 23.172 1.00 0.00 H new ATOM 1654 N GLU B 39 13.475 -0.061 23.711 1.00 0.00 N ATOM 1655 CA GLU B 39 13.940 0.843 24.769 1.00 0.00 C ATOM 1656 C GLU B 39 13.544 2.292 24.443 1.00 0.00 C ATOM 1657 O GLU B 39 13.710 2.748 23.307 1.00 0.00 O ATOM 1658 CB GLU B 39 15.457 0.697 24.956 1.00 0.00 C ATOM 1659 CG GLU B 39 15.996 1.591 26.087 1.00 0.00 C ATOM 1660 CD GLU B 39 17.493 1.346 26.357 1.00 0.00 C ATOM 1661 OE1 GLU B 39 18.316 1.490 25.420 1.00 0.00 O ATOM 1662 OE2 GLU B 39 17.861 1.039 27.520 1.00 0.00 O1- ATOM 0 H GLU B 39 14.210 -0.308 23.048 1.00 0.00 H new ATOM 0 HA GLU B 39 13.460 0.574 25.710 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.695 -0.344 25.174 1.00 0.00 H new ATOM 0 HB3 GLU B 39 15.962 0.951 24.024 1.00 0.00 H new ATOM 0 HG2 GLU B 39 15.842 2.638 25.825 1.00 0.00 H new ATOM 0 HG3 GLU B 39 15.428 1.403 26.998 1.00 0.00 H new ATOM 1669 N GLU B 40 13.050 3.031 25.439 1.00 0.00 N ATOM 1670 CA GLU B 40 12.738 4.463 25.320 1.00 0.00 C ATOM 1671 C GLU B 40 13.660 5.352 26.164 1.00 0.00 C ATOM 1672 O GLU B 40 14.181 4.936 27.202 1.00 0.00 O ATOM 1673 CB GLU B 40 11.269 4.751 25.666 1.00 0.00 C ATOM 1674 CG GLU B 40 10.303 4.115 24.665 1.00 0.00 C ATOM 1675 CD GLU B 40 8.864 4.624 24.857 1.00 0.00 C ATOM 1676 OE1 GLU B 40 8.615 5.849 24.726 1.00 0.00 O ATOM 1677 OE2 GLU B 40 7.960 3.807 25.150 1.00 0.00 O1- ATOM 0 H GLU B 40 12.852 2.650 26.364 1.00 0.00 H new ATOM 0 HA GLU B 40 12.912 4.716 24.274 1.00 0.00 H new ATOM 0 HB2 GLU B 40 11.053 4.375 26.666 1.00 0.00 H new ATOM 0 HB3 GLU B 40 11.108 5.829 25.689 1.00 0.00 H new ATOM 0 HG2 GLU B 40 10.634 4.335 23.650 1.00 0.00 H new ATOM 0 HG3 GLU B 40 10.323 3.031 24.779 1.00 0.00 H new ATOM 1684 N HIS B 41 13.809 6.600 25.721 1.00 0.00 N ATOM 1685 CA HIS B 41 14.570 7.671 26.380 1.00 0.00 C ATOM 1686 C HIS B 41 13.719 8.947 26.465 1.00 0.00 C ATOM 1687 O HIS B 41 12.857 9.171 25.610 1.00 0.00 O ATOM 1688 CB HIS B 41 15.889 7.919 25.631 1.00 0.00 C ATOM 1689 CG HIS B 41 16.752 6.687 25.478 1.00 0.00 C ATOM 1690 ND1 HIS B 41 17.587 6.149 26.462 1.00 0.00 N ATOM 1691 CD2 HIS B 41 16.810 5.893 24.368 1.00 0.00 C ATOM 1692 CE1 HIS B 41 18.136 5.047 25.918 1.00 0.00 C ATOM 1693 NE2 HIS B 41 17.686 4.872 24.663 1.00 0.00 N ATOM 0 H HIS B 41 13.382 6.911 24.849 1.00 0.00 H new ATOM 0 HA HIS B 41 14.817 7.367 27.397 1.00 0.00 H new ATOM 0 HB2 HIS B 41 15.663 8.317 24.642 1.00 0.00 H new ATOM 0 HB3 HIS B 41 16.457 8.684 26.160 1.00 0.00 H new ATOM 0 HD2 HIS B 41 16.274 6.037 23.441 1.00 0.00 H new ATOM 0 HE1 HIS B 41 18.838 4.396 26.418 1.00 0.00 H new ATOM 0 HE2 HIS B 41 17.949 4.112 24.036 1.00 0.00 H new ATOM 1701 N ALA B 42 13.954 9.780 27.485 1.00 0.00 N ATOM 1702 CA ALA B 42 13.163 10.987 27.744 1.00 0.00 C ATOM 1703 C ALA B 42 14.020 12.146 28.290 1.00 0.00 C ATOM 1704 O ALA B 42 14.911 11.946 29.126 1.00 0.00 O ATOM 1705 CB ALA B 42 12.006 10.640 28.694 1.00 0.00 C ATOM 0 H ALA B 42 14.705 9.634 28.159 1.00 0.00 H new ATOM 0 HA ALA B 42 12.755 11.341 26.797 1.00 0.00 H new ATOM 0 HB1 ALA B 42 11.415 11.535 28.890 1.00 0.00 H new ATOM 0 HB2 ALA B 42 11.373 9.880 28.235 1.00 0.00 H new ATOM 0 HB3 ALA B 42 12.408 10.258 29.633 1.00 0.00 H new ATOM 1711 N PHE B 43 13.733 13.363 27.814 1.00 0.00 N ATOM 1712 CA PHE B 43 14.564 14.557 28.008 1.00 0.00 C ATOM 1713 C PHE B 43 13.712 15.820 28.254 1.00 0.00 C ATOM 1714 O PHE B 43 13.244 16.452 27.297 1.00 0.00 O ATOM 1715 CB PHE B 43 15.489 14.730 26.797 1.00 0.00 C ATOM 1716 CG PHE B 43 16.376 13.536 26.511 1.00 0.00 C ATOM 1717 CD1 PHE B 43 17.564 13.352 27.245 1.00 0.00 C ATOM 1718 CD2 PHE B 43 15.995 12.585 25.545 1.00 0.00 C ATOM 1719 CE1 PHE B 43 18.359 12.214 27.021 1.00 0.00 C ATOM 1720 CE2 PHE B 43 16.794 11.454 25.317 1.00 0.00 C ATOM 1721 CZ PHE B 43 17.972 11.265 26.061 1.00 0.00 C ATOM 0 H PHE B 43 12.892 13.550 27.268 1.00 0.00 H new ATOM 0 HA PHE B 43 15.169 14.419 28.904 1.00 0.00 H new ATOM 0 HB2 PHE B 43 14.880 14.934 25.916 1.00 0.00 H new ATOM 0 HB3 PHE B 43 16.119 15.605 26.958 1.00 0.00 H new ATOM 0 HD1 PHE B 43 17.864 14.085 27.980 1.00 0.00 H new ATOM 0 HD2 PHE B 43 15.086 12.726 24.979 1.00 0.00 H new ATOM 0 HE1 PHE B 43 19.267 12.070 27.587 1.00 0.00 H new ATOM 0 HE2 PHE B 43 16.504 10.729 24.571 1.00 0.00 H new ATOM 0 HZ PHE B 43 18.580 10.388 25.894 1.00 0.00 H new ATOM 1731 N PRO B 44 13.496 16.213 29.525 1.00 0.00 N ATOM 1732 CA PRO B 44 12.805 17.452 29.887 1.00 0.00 C ATOM 1733 C PRO B 44 13.500 18.714 29.366 1.00 0.00 C ATOM 1734 O PRO B 44 14.730 18.796 29.327 1.00 0.00 O ATOM 1735 CB PRO B 44 12.702 17.444 31.418 1.00 0.00 C ATOM 1736 CG PRO B 44 12.778 15.962 31.772 1.00 0.00 C ATOM 1737 CD PRO B 44 13.749 15.429 30.726 1.00 0.00 C ATOM 0 HA PRO B 44 11.822 17.484 29.417 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.513 18.009 31.878 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.769 17.891 31.760 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.145 15.804 32.786 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.804 15.478 31.707 1.00 0.00 H new ATOM 0 HD2 PRO B 44 14.782 15.540 31.057 1.00 0.00 H new ATOM 0 HD3 PRO B 44 13.585 14.367 30.543 1.00 0.00 H new ATOM 1745 N GLY B 45 12.705 19.713 28.980 1.00 0.00 N ATOM 1746 CA GLY B 45 13.166 21.020 28.502 1.00 0.00 C ATOM 1747 C GLY B 45 13.571 21.068 27.019 1.00 0.00 C ATOM 1748 O GLY B 45 13.992 22.125 26.550 1.00 0.00 O ATOM 0 H GLY B 45 11.688 19.633 28.991 1.00 0.00 H new ATOM 0 HA2 GLY B 45 12.375 21.750 28.670 1.00 0.00 H new ATOM 0 HA3 GLY B 45 14.019 21.330 29.106 1.00 0.00 H new ATOM 1752 N LEU B 46 13.445 19.962 26.282 1.00 0.00 N ATOM 1753 CA LEU B 46 13.721 19.886 24.839 1.00 0.00 C ATOM 1754 C LEU B 46 12.457 19.947 23.967 1.00 0.00 C ATOM 1755 O LEU B 46 11.344 19.656 24.411 1.00 0.00 O ATOM 1756 CB LEU B 46 14.555 18.633 24.506 1.00 0.00 C ATOM 1757 CG LEU B 46 15.920 18.529 25.203 1.00 0.00 C ATOM 1758 CD1 LEU B 46 16.691 17.344 24.618 1.00 0.00 C ATOM 1759 CD2 LEU B 46 16.801 19.764 24.988 1.00 0.00 C ATOM 0 H LEU B 46 13.142 19.072 26.678 1.00 0.00 H new ATOM 0 HA LEU B 46 14.300 20.777 24.595 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.969 17.751 24.765 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.716 18.604 23.428 1.00 0.00 H new ATOM 0 HG LEU B 46 15.712 18.421 26.268 1.00 0.00 H new ATOM 0 HD11 LEU B 46 17.661 17.264 25.108 1.00 0.00 H new ATOM 0 HD12 LEU B 46 16.126 16.426 24.780 1.00 0.00 H new ATOM 0 HD13 LEU B 46 16.836 17.497 23.549 1.00 0.00 H new ATOM 0 HD21 LEU B 46 17.751 19.628 25.505 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.985 19.899 23.922 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.295 20.645 25.383 1.00 0.00 H new ATOM 1771 N ALA B 47 12.672 20.268 22.690 1.00 0.00 N ATOM 1772 CA ALA B 47 11.757 20.110 21.557 1.00 0.00 C ATOM 1773 C ALA B 47 12.561 19.732 20.290 1.00 0.00 C ATOM 1774 O ALA B 47 13.778 19.950 20.224 1.00 0.00 O ATOM 1775 CB ALA B 47 10.967 21.408 21.362 1.00 0.00 C ATOM 0 H ALA B 47 13.560 20.677 22.398 1.00 0.00 H new ATOM 0 HA ALA B 47 11.047 19.307 21.752 1.00 0.00 H new ATOM 0 HB1 ALA B 47 10.284 21.295 20.520 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.396 21.626 22.265 1.00 0.00 H new ATOM 0 HB3 ALA B 47 11.657 22.228 21.163 1.00 0.00 H new ATOM 1781 N ILE B 48 11.911 19.160 19.272 1.00 0.00 N ATOM 1782 CA ILE B 48 12.569 18.830 17.998 1.00 0.00 C ATOM 1783 C ILE B 48 12.883 20.125 17.231 1.00 0.00 C ATOM 1784 O ILE B 48 11.986 20.930 16.965 1.00 0.00 O ATOM 1785 CB ILE B 48 11.732 17.838 17.159 1.00 0.00 C ATOM 1786 CG1 ILE B 48 11.548 16.483 17.893 1.00 0.00 C ATOM 1787 CG2 ILE B 48 12.401 17.587 15.790 1.00 0.00 C ATOM 1788 CD1 ILE B 48 10.321 15.708 17.402 1.00 0.00 C ATOM 0 H ILE B 48 10.922 18.913 19.304 1.00 0.00 H new ATOM 0 HA ILE B 48 13.509 18.321 18.209 1.00 0.00 H new ATOM 0 HB ILE B 48 10.751 18.289 17.011 1.00 0.00 H new ATOM 0 HG12 ILE B 48 12.440 15.873 17.750 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.454 16.664 18.964 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.798 16.886 15.213 1.00 0.00 H new ATOM 0 HG22 ILE B 48 12.482 18.528 15.247 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.396 17.169 15.942 1.00 0.00 H new ATOM 0 HD11 ILE B 48 10.241 14.769 17.949 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.424 16.303 17.570 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.424 15.500 16.337 1.00 0.00 H new ATOM 1800 N GLY B 49 14.155 20.329 16.884 1.00 0.00 N ATOM 1801 CA GLY B 49 14.656 21.514 16.175 1.00 0.00 C ATOM 1802 C GLY B 49 14.857 21.307 14.669 1.00 0.00 C ATOM 1803 O GLY B 49 14.624 22.235 13.893 1.00 0.00 O ATOM 0 H GLY B 49 14.890 19.654 17.094 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.958 22.337 16.327 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.605 21.815 16.619 1.00 0.00 H new ATOM 1807 N ARG B 50 15.265 20.100 14.235 1.00 0.00 N ATOM 1808 CA ARG B 50 15.521 19.771 12.818 1.00 0.00 C ATOM 1809 C ARG B 50 15.320 18.284 12.515 1.00 0.00 C ATOM 1810 O ARG B 50 15.615 17.431 13.353 1.00 0.00 O ATOM 1811 CB ARG B 50 16.933 20.264 12.442 1.00 0.00 C ATOM 1812 CG ARG B 50 17.355 20.003 10.989 1.00 0.00 C ATOM 1813 CD ARG B 50 18.666 20.731 10.691 1.00 0.00 C ATOM 1814 NE ARG B 50 19.104 20.498 9.304 1.00 0.00 N ATOM 1815 CZ ARG B 50 19.906 19.560 8.847 1.00 0.00 C ATOM 1816 NH1 ARG B 50 20.512 18.688 9.608 1.00 0.00 N1+ ATOM 1817 NH2 ARG B 50 20.085 19.462 7.568 1.00 0.00 N ATOM 0 H ARG B 50 15.429 19.315 14.866 1.00 0.00 H new ATOM 0 HA ARG B 50 14.788 20.286 12.197 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.988 21.336 12.632 1.00 0.00 H new ATOM 0 HB3 ARG B 50 17.655 19.786 13.104 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.477 18.933 10.823 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.576 20.345 10.308 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.537 21.800 10.859 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.438 20.391 11.381 1.00 0.00 H new ATOM 0 HE ARG B 50 18.738 21.148 8.608 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.375 18.711 10.619 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.122 17.985 9.192 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.608 20.105 6.936 1.00 0.00 H new ATOM 0 HH22 ARG B 50 20.703 18.742 7.193 1.00 0.00 H new ATOM 1831 N VAL B 51 14.881 17.996 11.292 1.00 0.00 N ATOM 1832 CA VAL B 51 14.746 16.659 10.699 1.00 0.00 C ATOM 1833 C VAL B 51 15.338 16.690 9.287 1.00 0.00 C ATOM 1834 O VAL B 51 14.995 17.563 8.491 1.00 0.00 O ATOM 1835 CB VAL B 51 13.272 16.208 10.649 1.00 0.00 C ATOM 1836 CG1 VAL B 51 13.133 14.778 10.114 1.00 0.00 C ATOM 1837 CG2 VAL B 51 12.576 16.274 12.014 1.00 0.00 C ATOM 0 H VAL B 51 14.592 18.731 10.646 1.00 0.00 H new ATOM 0 HA VAL B 51 15.283 15.941 11.319 1.00 0.00 H new ATOM 0 HB VAL B 51 12.787 16.912 9.973 1.00 0.00 H new ATOM 0 HG11 VAL B 51 12.080 14.498 10.094 1.00 0.00 H new ATOM 0 HG12 VAL B 51 13.541 14.726 9.105 1.00 0.00 H new ATOM 0 HG13 VAL B 51 13.679 14.092 10.762 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.542 15.944 11.912 1.00 0.00 H new ATOM 0 HG22 VAL B 51 13.096 15.625 12.719 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.595 17.300 12.383 1.00 0.00 H new ATOM 1847 N ASP B 52 16.232 15.751 8.972 1.00 0.00 N ATOM 1848 CA ASP B 52 17.022 15.721 7.737 1.00 0.00 C ATOM 1849 C ASP B 52 17.057 14.310 7.133 1.00 0.00 C ATOM 1850 O ASP B 52 17.765 13.423 7.626 1.00 0.00 O ATOM 1851 CB ASP B 52 18.428 16.263 8.043 1.00 0.00 C ATOM 1852 CG ASP B 52 19.383 16.297 6.835 1.00 0.00 C ATOM 1853 OD1 ASP B 52 19.003 15.877 5.719 1.00 0.00 O ATOM 1854 OD2 ASP B 52 20.532 16.769 7.018 1.00 0.00 O1- ATOM 0 H ASP B 52 16.434 14.964 9.589 1.00 0.00 H new ATOM 0 HA ASP B 52 16.558 16.357 6.983 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.334 17.273 8.443 1.00 0.00 H new ATOM 0 HB3 ASP B 52 18.876 15.651 8.826 1.00 0.00 H new ATOM 1859 N LEU B 53 16.303 14.103 6.051 1.00 0.00 N ATOM 1860 CA LEU B 53 16.177 12.817 5.363 1.00 0.00 C ATOM 1861 C LEU B 53 17.336 12.522 4.395 1.00 0.00 C ATOM 1862 O LEU B 53 17.532 11.365 4.011 1.00 0.00 O ATOM 1863 CB LEU B 53 14.822 12.759 4.630 1.00 0.00 C ATOM 1864 CG LEU B 53 13.530 12.827 5.470 1.00 0.00 C ATOM 1865 CD1 LEU B 53 13.559 11.904 6.693 1.00 0.00 C ATOM 1866 CD2 LEU B 53 13.142 14.232 5.937 1.00 0.00 C ATOM 0 H LEU B 53 15.750 14.843 5.619 1.00 0.00 H new ATOM 0 HA LEU B 53 16.224 12.038 6.124 1.00 0.00 H new ATOM 0 HB2 LEU B 53 14.796 13.581 3.914 1.00 0.00 H new ATOM 0 HB3 LEU B 53 14.795 11.834 4.054 1.00 0.00 H new ATOM 0 HG LEU B 53 12.771 12.485 4.767 1.00 0.00 H new ATOM 0 HD11 LEU B 53 12.622 11.998 7.242 1.00 0.00 H new ATOM 0 HD12 LEU B 53 13.687 10.872 6.367 1.00 0.00 H new ATOM 0 HD13 LEU B 53 14.389 12.185 7.341 1.00 0.00 H new ATOM 0 HD21 LEU B 53 12.222 14.181 6.520 1.00 0.00 H new ATOM 0 HD22 LEU B 53 13.940 14.643 6.555 1.00 0.00 H new ATOM 0 HD23 LEU B 53 12.987 14.874 5.070 1.00 0.00 H new ATOM 1878 N ARG B 54 18.135 13.529 4.018 1.00 0.00 N ATOM 1879 CA ARG B 54 19.307 13.376 3.133 1.00 0.00 C ATOM 1880 C ARG B 54 20.494 12.706 3.844 1.00 0.00 C ATOM 1881 O ARG B 54 21.313 12.060 3.192 1.00 0.00 O ATOM 1882 CB ARG B 54 19.718 14.743 2.551 1.00 0.00 C ATOM 1883 CG ARG B 54 18.570 15.441 1.791 1.00 0.00 C ATOM 1884 CD ARG B 54 19.023 16.758 1.139 1.00 0.00 C ATOM 1885 NE ARG B 54 19.938 16.532 -0.001 1.00 0.00 N ATOM 1886 CZ ARG B 54 20.472 17.454 -0.780 1.00 0.00 C ATOM 1887 NH1 ARG B 54 20.233 18.724 -0.612 1.00 0.00 N1+ ATOM 1888 NH2 ARG B 54 21.259 17.112 -1.761 1.00 0.00 N ATOM 0 H ARG B 54 17.986 14.491 4.322 1.00 0.00 H new ATOM 0 HA ARG B 54 19.015 12.715 2.317 1.00 0.00 H new ATOM 0 HB2 ARG B 54 20.057 15.390 3.360 1.00 0.00 H new ATOM 0 HB3 ARG B 54 20.563 14.606 1.877 1.00 0.00 H new ATOM 0 HG2 ARG B 54 18.185 14.771 1.023 1.00 0.00 H new ATOM 0 HG3 ARG B 54 17.749 15.642 2.480 1.00 0.00 H new ATOM 0 HD2 ARG B 54 18.149 17.311 0.797 1.00 0.00 H new ATOM 0 HD3 ARG B 54 19.521 17.378 1.885 1.00 0.00 H new ATOM 0 HE ARG B 54 20.182 15.563 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG B 54 19.617 19.032 0.140 1.00 0.00 H new ATOM 0 HH12 ARG B 54 20.662 19.410 -1.233 1.00 0.00 H new ATOM 0 HH21 ARG B 54 21.465 16.127 -1.930 1.00 0.00 H new ATOM 0 HH22 ARG B 54 21.669 17.829 -2.360 1.00 0.00 H new ATOM 1902 N SER B 55 20.551 12.810 5.176 1.00 0.00 N ATOM 1903 CA SER B 55 21.572 12.185 6.041 1.00 0.00 C ATOM 1904 C SER B 55 21.014 11.233 7.114 1.00 0.00 C ATOM 1905 O SER B 55 21.784 10.502 7.738 1.00 0.00 O ATOM 1906 CB SER B 55 22.435 13.273 6.696 1.00 0.00 C ATOM 1907 OG SER B 55 23.082 14.074 5.713 1.00 0.00 O ATOM 0 H SER B 55 19.866 13.349 5.705 1.00 0.00 H new ATOM 0 HA SER B 55 22.173 11.557 5.383 1.00 0.00 H new ATOM 0 HB2 SER B 55 21.812 13.903 7.330 1.00 0.00 H new ATOM 0 HB3 SER B 55 23.181 12.810 7.341 1.00 0.00 H new ATOM 0 HG SER B 55 23.624 14.760 6.155 1.00 0.00 H new ATOM 1913 N GLY B 56 19.695 11.201 7.333 1.00 0.00 N ATOM 1914 CA GLY B 56 19.038 10.348 8.337 1.00 0.00 C ATOM 1915 C GLY B 56 19.235 10.842 9.778 1.00 0.00 C ATOM 1916 O GLY B 56 19.558 10.052 10.670 1.00 0.00 O ATOM 0 H GLY B 56 19.038 11.778 6.808 1.00 0.00 H new ATOM 0 HA2 GLY B 56 17.971 10.299 8.120 1.00 0.00 H new ATOM 0 HA3 GLY B 56 19.427 9.333 8.252 1.00 0.00 H new ATOM 1920 N VAL B 57 19.111 12.152 10.008 1.00 0.00 N ATOM 1921 CA VAL B 57 19.443 12.820 11.281 1.00 0.00 C ATOM 1922 C VAL B 57 18.256 13.635 11.809 1.00 0.00 C ATOM 1923 O VAL B 57 17.595 14.359 11.064 1.00 0.00 O ATOM 1924 CB VAL B 57 20.703 13.699 11.140 1.00 0.00 C ATOM 1925 CG1 VAL B 57 21.047 14.456 12.431 1.00 0.00 C ATOM 1926 CG2 VAL B 57 21.926 12.847 10.774 1.00 0.00 C ATOM 0 H VAL B 57 18.768 12.799 9.298 1.00 0.00 H new ATOM 0 HA VAL B 57 19.662 12.042 12.013 1.00 0.00 H new ATOM 0 HB VAL B 57 20.471 14.416 10.353 1.00 0.00 H new ATOM 0 HG11 VAL B 57 21.942 15.058 12.273 1.00 0.00 H new ATOM 0 HG12 VAL B 57 20.216 15.107 12.704 1.00 0.00 H new ATOM 0 HG13 VAL B 57 21.228 13.742 13.234 1.00 0.00 H new ATOM 0 HG21 VAL B 57 22.802 13.489 10.680 1.00 0.00 H new ATOM 0 HG22 VAL B 57 22.101 12.107 11.555 1.00 0.00 H new ATOM 0 HG23 VAL B 57 21.745 12.339 9.827 1.00 0.00 H new ATOM 1936 N ILE B 58 18.017 13.542 13.115 1.00 0.00 N ATOM 1937 CA ILE B 58 17.089 14.368 13.899 1.00 0.00 C ATOM 1938 C ILE B 58 17.892 15.110 14.978 1.00 0.00 C ATOM 1939 O ILE B 58 18.764 14.519 15.620 1.00 0.00 O ATOM 1940 CB ILE B 58 15.971 13.473 14.485 1.00 0.00 C ATOM 1941 CG1 ILE B 58 15.039 12.986 13.346 1.00 0.00 C ATOM 1942 CG2 ILE B 58 15.162 14.202 15.577 1.00 0.00 C ATOM 1943 CD1 ILE B 58 14.055 11.884 13.761 1.00 0.00 C ATOM 0 H ILE B 58 18.492 12.848 13.693 1.00 0.00 H new ATOM 0 HA ILE B 58 16.598 15.116 13.276 1.00 0.00 H new ATOM 0 HB ILE B 58 16.442 12.612 14.959 1.00 0.00 H new ATOM 0 HG12 ILE B 58 14.474 13.837 12.966 1.00 0.00 H new ATOM 0 HG13 ILE B 58 15.652 12.618 12.523 1.00 0.00 H new ATOM 0 HG21 ILE B 58 14.388 13.538 15.961 1.00 0.00 H new ATOM 0 HG22 ILE B 58 15.827 14.492 16.390 1.00 0.00 H new ATOM 0 HG23 ILE B 58 14.698 15.092 15.153 1.00 0.00 H new ATOM 0 HD11 ILE B 58 13.442 11.602 12.905 1.00 0.00 H new ATOM 0 HD12 ILE B 58 14.610 11.014 14.112 1.00 0.00 H new ATOM 0 HD13 ILE B 58 13.413 12.252 14.562 1.00 0.00 H new ATOM 1955 N SER B 59 17.613 16.397 15.191 1.00 0.00 N ATOM 1956 CA SER B 59 18.324 17.248 16.158 1.00 0.00 C ATOM 1957 C SER B 59 17.355 17.965 17.093 1.00 0.00 C ATOM 1958 O SER B 59 16.347 18.515 16.639 1.00 0.00 O ATOM 1959 CB SER B 59 19.226 18.240 15.425 1.00 0.00 C ATOM 1960 OG SER B 59 20.007 18.996 16.337 1.00 0.00 O ATOM 0 H SER B 59 16.874 16.890 14.689 1.00 0.00 H new ATOM 0 HA SER B 59 18.950 16.607 16.779 1.00 0.00 H new ATOM 0 HB2 SER B 59 19.881 17.702 14.740 1.00 0.00 H new ATOM 0 HB3 SER B 59 18.616 18.912 14.821 1.00 0.00 H new ATOM 0 HG SER B 59 20.576 19.621 15.841 1.00 0.00 H new ATOM 1966 N LEU B 60 17.644 17.950 18.396 1.00 0.00 N ATOM 1967 CA LEU B 60 16.827 18.578 19.442 1.00 0.00 C ATOM 1968 C LEU B 60 17.418 19.917 19.918 1.00 0.00 C ATOM 1969 O LEU B 60 18.638 20.110 19.917 1.00 0.00 O ATOM 1970 CB LEU B 60 16.638 17.619 20.630 1.00 0.00 C ATOM 1971 CG LEU B 60 16.194 16.181 20.285 1.00 0.00 C ATOM 1972 CD1 LEU B 60 15.921 15.406 21.573 1.00 0.00 C ATOM 1973 CD2 LEU B 60 14.927 16.126 19.431 1.00 0.00 C ATOM 0 H LEU B 60 18.475 17.488 18.765 1.00 0.00 H new ATOM 0 HA LEU B 60 15.853 18.794 19.002 1.00 0.00 H new ATOM 0 HB2 LEU B 60 17.578 17.564 21.178 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.900 18.052 21.305 1.00 0.00 H new ATOM 0 HG LEU B 60 17.009 15.742 19.710 1.00 0.00 H new ATOM 0 HD11 LEU B 60 15.608 14.391 21.328 1.00 0.00 H new ATOM 0 HD12 LEU B 60 16.829 15.370 22.175 1.00 0.00 H new ATOM 0 HD13 LEU B 60 15.131 15.903 22.136 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.672 15.086 19.226 1.00 0.00 H new ATOM 0 HD22 LEU B 60 14.106 16.602 19.967 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.099 16.650 18.491 1.00 0.00 H new ATOM 1985 N ILE B 61 16.546 20.821 20.367 1.00 0.00 N ATOM 1986 CA ILE B 61 16.865 22.162 20.898 1.00 0.00 C ATOM 1987 C ILE B 61 16.117 22.403 22.214 1.00 0.00 C ATOM 1988 O ILE B 61 15.115 21.750 22.494 1.00 0.00 O ATOM 1989 CB ILE B 61 16.602 23.269 19.848 1.00 0.00 C ATOM 1990 CG1 ILE B 61 15.164 23.336 19.275 1.00 0.00 C ATOM 1991 CG2 ILE B 61 17.607 23.127 18.689 1.00 0.00 C ATOM 1992 CD1 ILE B 61 14.162 24.108 20.140 1.00 0.00 C ATOM 0 H ILE B 61 15.543 20.635 20.374 1.00 0.00 H new ATOM 0 HA ILE B 61 17.932 22.205 21.117 1.00 0.00 H new ATOM 0 HB ILE B 61 16.732 24.205 20.392 1.00 0.00 H new ATOM 0 HG12 ILE B 61 15.202 23.798 18.289 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.796 22.320 19.137 1.00 0.00 H new ATOM 0 HG21 ILE B 61 17.422 23.906 17.950 1.00 0.00 H new ATOM 0 HG22 ILE B 61 18.622 23.225 19.074 1.00 0.00 H new ATOM 0 HG23 ILE B 61 17.489 22.149 18.223 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.184 24.101 19.658 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.087 23.636 21.120 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.501 25.137 20.258 1.00 0.00 H new ATOM 2004 N GLU B 62 16.600 23.326 23.043 1.00 0.00 N ATOM 2005 CA GLU B 62 15.910 23.716 24.282 1.00 0.00 C ATOM 2006 C GLU B 62 14.648 24.551 23.971 1.00 0.00 C ATOM 2007 O GLU B 62 14.694 25.520 23.212 1.00 0.00 O ATOM 2008 CB GLU B 62 16.860 24.469 25.229 1.00 0.00 C ATOM 2009 CG GLU B 62 17.888 23.538 25.881 1.00 0.00 C ATOM 2010 CD GLU B 62 18.834 24.318 26.817 1.00 0.00 C ATOM 2011 OE1 GLU B 62 18.842 24.049 28.045 1.00 0.00 O ATOM 2012 OE2 GLU B 62 19.584 25.201 26.332 1.00 0.00 O1- ATOM 0 H GLU B 62 17.475 23.825 22.881 1.00 0.00 H new ATOM 0 HA GLU B 62 15.589 22.807 24.791 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.380 25.249 24.674 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.278 24.965 26.006 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.372 22.762 26.446 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.470 23.036 25.108 1.00 0.00 H new ATOM 2019 N GLU B 63 13.513 24.189 24.571 1.00 0.00 N ATOM 2020 CA GLU B 63 12.180 24.732 24.241 1.00 0.00 C ATOM 2021 C GLU B 63 11.884 26.124 24.841 1.00 0.00 C ATOM 2022 O GLU B 63 10.841 26.715 24.568 1.00 0.00 O ATOM 2023 CB GLU B 63 11.110 23.687 24.599 1.00 0.00 C ATOM 2024 CG GLU B 63 10.838 23.491 26.103 1.00 0.00 C ATOM 2025 CD GLU B 63 9.750 24.423 26.673 1.00 0.00 C ATOM 2026 OE1 GLU B 63 8.713 24.660 26.009 1.00 0.00 O ATOM 2027 OE2 GLU B 63 9.923 24.896 27.821 1.00 0.00 O1- ATOM 0 H GLU B 63 13.487 23.495 25.318 1.00 0.00 H new ATOM 0 HA GLU B 63 12.161 24.918 23.167 1.00 0.00 H new ATOM 0 HB2 GLU B 63 10.176 23.971 24.114 1.00 0.00 H new ATOM 0 HB3 GLU B 63 11.410 22.728 24.176 1.00 0.00 H new ATOM 0 HG2 GLU B 63 10.542 22.456 26.276 1.00 0.00 H new ATOM 0 HG3 GLU B 63 11.765 23.653 26.653 1.00 0.00 H new ATOM 2034 N GLN B 64 12.803 26.667 25.645 1.00 0.00 N ATOM 2035 CA GLN B 64 12.728 28.002 26.266 1.00 0.00 C ATOM 2036 C GLN B 64 13.238 29.168 25.396 1.00 0.00 C ATOM 2037 O GLN B 64 13.307 30.319 25.830 1.00 0.00 O ATOM 2038 CB GLN B 64 13.434 27.966 27.634 1.00 0.00 C ATOM 2039 CG GLN B 64 12.659 27.171 28.699 1.00 0.00 C ATOM 2040 CD GLN B 64 11.420 27.921 29.206 1.00 0.00 C ATOM 2041 OE1 GLN B 64 11.490 29.038 29.707 1.00 0.00 O ATOM 2042 NE2 GLN B 64 10.238 27.352 29.102 1.00 0.00 N ATOM 0 H GLN B 64 13.658 26.170 25.894 1.00 0.00 H new ATOM 0 HA GLN B 64 11.667 28.220 26.389 1.00 0.00 H new ATOM 0 HB2 GLN B 64 14.424 27.527 27.512 1.00 0.00 H new ATOM 0 HB3 GLN B 64 13.579 28.987 27.987 1.00 0.00 H new ATOM 0 HG2 GLN B 64 12.353 26.212 28.281 1.00 0.00 H new ATOM 0 HG3 GLN B 64 13.319 26.956 29.539 1.00 0.00 H new ATOM 0 HE21 GLN B 64 10.154 26.423 28.689 1.00 0.00 H new ATOM 0 HE22 GLN B 64 9.406 27.840 29.434 1.00 0.00 H new ATOM 2051 N ASN B 65 13.557 28.870 24.144 1.00 0.00 N ATOM 2052 CA ASN B 65 14.069 29.799 23.118 1.00 0.00 C ATOM 2053 C ASN B 65 12.976 30.500 22.268 1.00 0.00 C ATOM 2054 O ASN B 65 13.271 31.034 21.192 1.00 0.00 O ATOM 2055 CB ASN B 65 15.130 29.067 22.272 1.00 0.00 C ATOM 2056 CG ASN B 65 16.400 28.797 23.055 1.00 0.00 C ATOM 2057 OD1 ASN B 65 17.178 29.698 23.344 1.00 0.00 O ATOM 2058 ND2 ASN B 65 16.666 27.565 23.418 1.00 0.00 N ATOM 0 H ASN B 65 13.464 27.920 23.785 1.00 0.00 H new ATOM 0 HA ASN B 65 14.536 30.638 23.634 1.00 0.00 H new ATOM 0 HB2 ASN B 65 14.719 28.123 21.913 1.00 0.00 H new ATOM 0 HB3 ASN B 65 15.368 29.666 21.393 1.00 0.00 H new ATOM 0 HD21 ASN B 65 17.518 27.360 23.939 1.00 0.00 H new ATOM 0 HD22 ASN B 65 16.020 26.812 23.179 1.00 0.00 H new ATOM 2065 N ARG B 66 11.718 30.483 22.721 1.00 0.00 N ATOM 2066 CA ARG B 66 10.543 31.068 22.042 1.00 0.00 C ATOM 2067 C ARG B 66 10.614 32.598 21.942 1.00 0.00 C ATOM 2068 O ARG B 66 10.962 33.259 22.951 1.00 0.00 O ATOM 2069 CB ARG B 66 9.247 30.618 22.747 1.00 0.00 C ATOM 2070 CG ARG B 66 9.070 29.092 22.741 1.00 0.00 C ATOM 2071 CD ARG B 66 7.892 28.665 23.622 1.00 0.00 C ATOM 2072 NE ARG B 66 7.909 27.216 23.881 1.00 0.00 N ATOM 2073 CZ ARG B 66 7.197 26.288 23.275 1.00 0.00 C ATOM 2074 NH1 ARG B 66 6.470 26.522 22.228 1.00 0.00 N1+ ATOM 2075 NH2 ARG B 66 7.208 25.066 23.715 1.00 0.00 N ATOM 2076 OXT ARG B 66 10.298 33.139 20.854 1.00 0.00 O1- ATOM 0 H ARG B 66 11.474 30.044 23.609 1.00 0.00 H new ATOM 0 HA ARG B 66 10.542 30.696 21.017 1.00 0.00 H new ATOM 0 HB2 ARG B 66 9.255 30.975 23.777 1.00 0.00 H new ATOM 0 HB3 ARG B 66 8.391 31.081 22.256 1.00 0.00 H new ATOM 0 HG2 ARG B 66 8.907 28.747 21.720 1.00 0.00 H new ATOM 0 HG3 ARG B 66 9.984 28.616 23.097 1.00 0.00 H new ATOM 0 HD2 ARG B 66 7.929 29.205 24.568 1.00 0.00 H new ATOM 0 HD3 ARG B 66 6.955 28.938 23.136 1.00 0.00 H new ATOM 0 HE ARG B 66 8.544 26.894 24.612 1.00 0.00 H new ATOM 0 HH11 ARG B 66 6.430 27.462 21.835 1.00 0.00 H new ATOM 0 HH12 ARG B 66 5.938 25.766 21.797 1.00 0.00 H new ATOM 0 HH21 ARG B 66 7.769 24.823 24.532 1.00 0.00 H new ATOM 0 HH22 ARG B 66 6.656 24.349 23.244 1.00 0.00 H new TER 2090 ARG B 66