USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 374 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.391 F(o=-1.2,f=-0.39) USER MOD Single : A 8 THR OG1 : rot -169:sc= 0.00365 USER MOD Single : A 9 SER OG : rot 84:sc= 1.11 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.175 K(o=0.18,f=-6.4!) USER MOD Single : A 18 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= 1.13 F(o=-0.18,f=1.1) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.4!) USER MOD Single : B 4 GLN : amide:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -7.21! C(o=-7.2!,f=-6.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0625 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 152:sc= -0.0778 (180deg=-0.732) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.0322 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.305 8.602 1.219 1.00 0.00 N ATOM 2 CA GLY A 1 -4.823 7.505 0.271 1.00 0.00 C ATOM 3 C GLY A 1 -3.365 7.204 0.176 1.00 0.00 C ATOM 4 O GLY A 1 -2.540 7.902 0.729 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.340 8.680 1.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.029 8.365 2.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.874 9.509 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.329 6.582 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.169 7.763 -0.730 1.00 0.00 H new ATOM 10 N ILE A 2 -3.009 6.168 -0.534 1.00 0.00 N ATOM 11 CA ILE A 2 -1.575 5.813 -0.683 1.00 0.00 C ATOM 12 C ILE A 2 -1.133 6.196 -2.087 1.00 0.00 C ATOM 13 O ILE A 2 -0.080 6.763 -2.295 1.00 0.00 O ATOM 14 CB ILE A 2 -1.401 4.308 -0.486 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.080 3.944 -0.610 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.195 3.561 -1.560 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.282 2.483 -0.207 1.00 0.00 C ATOM 0 H ILE A 2 -3.658 5.549 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.975 6.341 0.058 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.764 4.027 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.419 4.100 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.680 4.594 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.073 2.487 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.251 3.819 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.828 3.844 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.337 2.224 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.041 2.342 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.306 1.840 -0.862 1.00 0.00 H new ATOM 29 N VAL A 3 -1.945 5.887 -3.052 1.00 0.00 N ATOM 30 CA VAL A 3 -1.607 6.219 -4.459 1.00 0.00 C ATOM 31 C VAL A 3 -1.049 7.644 -4.531 1.00 0.00 C ATOM 32 O VAL A 3 -0.167 7.936 -5.315 1.00 0.00 O ATOM 33 CB VAL A 3 -2.872 6.118 -5.309 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.493 6.149 -6.785 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.595 4.805 -4.997 1.00 0.00 C ATOM 0 H VAL A 3 -2.839 5.413 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.856 5.523 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.530 6.957 -5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.394 6.077 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.978 7.083 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.836 5.309 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.498 4.734 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.938 3.965 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.865 4.780 -3.941 1.00 0.00 H new ATOM 45 N GLU A 4 -1.555 8.535 -3.721 1.00 0.00 N ATOM 46 CA GLU A 4 -1.051 9.938 -3.747 1.00 0.00 C ATOM 47 C GLU A 4 -0.070 10.150 -2.594 1.00 0.00 C ATOM 48 O GLU A 4 0.970 10.757 -2.753 1.00 0.00 O ATOM 49 CB GLU A 4 -2.228 10.907 -3.598 1.00 0.00 C ATOM 50 CG GLU A 4 -1.704 12.336 -3.432 1.00 0.00 C ATOM 51 CD GLU A 4 -1.967 13.126 -4.715 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.008 12.916 -5.315 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.122 13.930 -5.075 1.00 0.00 O ATOM 0 H GLU A 4 -2.295 8.352 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.544 10.123 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.874 10.846 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.833 10.629 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.195 12.819 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.636 12.320 -3.214 1.00 0.00 H new ATOM 60 N GLN A 5 -0.394 9.656 -1.431 1.00 0.00 N ATOM 61 CA GLN A 5 0.519 9.833 -0.269 1.00 0.00 C ATOM 62 C GLN A 5 1.842 9.116 -0.540 1.00 0.00 C ATOM 63 O GLN A 5 2.900 9.589 -0.176 1.00 0.00 O ATOM 64 CB GLN A 5 -0.141 9.257 0.986 1.00 0.00 C ATOM 65 CG GLN A 5 -1.344 10.124 1.369 1.00 0.00 C ATOM 66 CD GLN A 5 -1.827 9.752 2.774 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.472 8.610 3.297 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 -2.541 10.510 3.401 1.00 0.00 N flip ATOM 0 H GLN A 5 -1.251 9.138 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 5 0.716 10.894 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.461 8.231 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.576 9.227 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.069 11.178 1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.150 9.983 0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.819 11.403 2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.862 10.253 4.335 1.00 0.00 H new ATOM 77 N CYS A 6 1.796 7.980 -1.179 1.00 0.00 N ATOM 78 CA CYS A 6 3.059 7.246 -1.472 1.00 0.00 C ATOM 79 C CYS A 6 3.768 7.910 -2.655 1.00 0.00 C ATOM 80 O CYS A 6 4.980 7.953 -2.718 1.00 0.00 O ATOM 81 CB CYS A 6 2.739 5.792 -1.823 1.00 0.00 C ATOM 82 SG CYS A 6 3.261 4.713 -0.468 1.00 0.00 S ATOM 0 H CYS A 6 0.943 7.530 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 6 3.705 7.272 -0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.670 5.677 -2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.249 5.509 -2.744 1.00 0.00 H new ATOM 87 N CYS A 7 3.021 8.430 -3.592 1.00 0.00 N ATOM 88 CA CYS A 7 3.656 9.092 -4.769 1.00 0.00 C ATOM 89 C CYS A 7 4.063 10.514 -4.388 1.00 0.00 C ATOM 90 O CYS A 7 5.078 11.019 -4.827 1.00 0.00 O ATOM 91 CB CYS A 7 2.661 9.136 -5.930 1.00 0.00 C ATOM 92 SG CYS A 7 3.562 9.311 -7.492 1.00 0.00 S ATOM 0 H CYS A 7 2.001 8.425 -3.594 1.00 0.00 H new ATOM 0 HA CYS A 7 4.539 8.529 -5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.062 8.226 -5.944 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.971 9.970 -5.800 1.00 0.00 H new ATOM 97 N THR A 8 3.284 11.161 -3.566 1.00 0.00 N ATOM 98 CA THR A 8 3.628 12.549 -3.148 1.00 0.00 C ATOM 99 C THR A 8 4.527 12.489 -1.908 1.00 0.00 C ATOM 100 O THR A 8 5.006 13.497 -1.428 1.00 0.00 O ATOM 101 CB THR A 8 2.344 13.314 -2.818 1.00 0.00 C ATOM 102 OG1 THR A 8 1.611 13.542 -4.014 1.00 0.00 O ATOM 103 CG2 THR A 8 2.694 14.657 -2.171 1.00 0.00 C ATOM 0 H THR A 8 2.423 10.788 -3.165 1.00 0.00 H new ATOM 0 HA THR A 8 4.152 13.060 -3.955 1.00 0.00 H new ATOM 0 HB THR A 8 1.742 12.727 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.884 14.175 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.777 15.198 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.256 14.483 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.298 15.247 -2.861 1.00 0.00 H new ATOM 111 N SER A 9 4.757 11.312 -1.387 1.00 0.00 N ATOM 112 CA SER A 9 5.623 11.182 -0.182 1.00 0.00 C ATOM 113 C SER A 9 6.412 9.874 -0.267 1.00 0.00 C ATOM 114 O SER A 9 6.363 9.173 -1.258 1.00 0.00 O ATOM 115 CB SER A 9 4.748 11.168 1.072 1.00 0.00 C ATOM 116 OG SER A 9 3.536 11.859 0.805 1.00 0.00 O ATOM 0 H SER A 9 4.381 10.435 -1.746 1.00 0.00 H new ATOM 0 HA SER A 9 6.314 12.024 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.537 10.141 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.274 11.640 1.902 1.00 0.00 H new ATOM 0 HG SER A 9 2.901 11.251 0.372 1.00 0.00 H new ATOM 122 N ILE A 10 7.144 9.542 0.760 1.00 0.00 N ATOM 123 CA ILE A 10 7.937 8.286 0.734 1.00 0.00 C ATOM 124 C ILE A 10 7.207 7.194 1.514 1.00 0.00 C ATOM 125 O ILE A 10 6.354 7.467 2.334 1.00 0.00 O ATOM 126 CB ILE A 10 9.291 8.537 1.391 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.028 9.647 0.641 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.113 7.253 1.349 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.441 9.146 -0.740 1.00 0.00 C ATOM 0 H ILE A 10 7.226 10.089 1.617 1.00 0.00 H new ATOM 0 HA ILE A 10 8.071 7.968 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 10 9.145 8.843 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.386 10.522 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.908 9.958 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.082 7.426 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.585 6.465 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.260 6.949 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.966 9.939 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.099 8.284 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.553 8.857 -1.303 1.00 0.00 H new ATOM 141 N CYS A 11 7.551 5.955 1.280 1.00 0.00 N ATOM 142 CA CYS A 11 6.890 4.844 2.028 1.00 0.00 C ATOM 143 C CYS A 11 7.590 3.525 1.701 1.00 0.00 C ATOM 144 O CYS A 11 7.775 3.177 0.551 1.00 0.00 O ATOM 145 CB CYS A 11 5.407 4.750 1.654 1.00 0.00 C ATOM 146 SG CYS A 11 5.148 5.304 -0.049 1.00 0.00 S ATOM 0 H CYS A 11 8.259 5.664 0.606 1.00 0.00 H new ATOM 0 HA CYS A 11 6.965 5.045 3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.062 3.722 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.814 5.360 2.336 1.00 0.00 H new ATOM 151 N SER A 12 7.991 2.794 2.704 1.00 0.00 N ATOM 152 CA SER A 12 8.692 1.505 2.452 1.00 0.00 C ATOM 153 C SER A 12 7.723 0.330 2.614 1.00 0.00 C ATOM 154 O SER A 12 6.546 0.507 2.876 1.00 0.00 O ATOM 155 CB SER A 12 9.843 1.353 3.448 1.00 0.00 C ATOM 156 OG SER A 12 9.646 2.252 4.532 1.00 0.00 O ATOM 0 H SER A 12 7.863 3.034 3.687 1.00 0.00 H new ATOM 0 HA SER A 12 9.078 1.506 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.889 0.327 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.794 1.559 2.957 1.00 0.00 H new ATOM 0 HG SER A 12 10.381 2.157 5.174 1.00 0.00 H new ATOM 162 N LEU A 13 8.222 -0.865 2.441 1.00 0.00 N ATOM 163 CA LEU A 13 7.372 -2.084 2.557 1.00 0.00 C ATOM 164 C LEU A 13 6.293 -1.904 3.624 1.00 0.00 C ATOM 165 O LEU A 13 5.149 -2.258 3.421 1.00 0.00 O ATOM 166 CB LEU A 13 8.248 -3.284 2.926 1.00 0.00 C ATOM 167 CG LEU A 13 7.367 -4.523 3.105 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.145 -5.767 2.674 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.969 -4.659 4.577 1.00 0.00 C ATOM 0 H LEU A 13 9.201 -1.050 2.220 1.00 0.00 H new ATOM 0 HA LEU A 13 6.885 -2.253 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.989 -3.461 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.796 -3.079 3.845 1.00 0.00 H new ATOM 0 HG LEU A 13 6.471 -4.422 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.519 -6.650 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.431 -5.673 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.041 -5.866 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.342 -5.541 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.866 -4.760 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.416 -3.773 4.888 1.00 0.00 H new ATOM 181 N TYR A 14 6.644 -1.369 4.755 1.00 0.00 N ATOM 182 CA TYR A 14 5.629 -1.182 5.829 1.00 0.00 C ATOM 183 C TYR A 14 4.339 -0.628 5.219 1.00 0.00 C ATOM 184 O TYR A 14 3.318 -1.287 5.199 1.00 0.00 O ATOM 185 CB TYR A 14 6.161 -0.205 6.881 1.00 0.00 C ATOM 186 CG TYR A 14 6.114 -0.861 8.240 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.650 -2.143 8.417 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.531 -0.190 9.324 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.602 -2.757 9.676 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.486 -0.803 10.584 1.00 0.00 C ATOM 191 CZ TYR A 14 6.021 -2.086 10.759 1.00 0.00 C ATOM 192 OH TYR A 14 5.973 -2.690 12.000 1.00 0.00 O ATOM 0 H TYR A 14 7.586 -1.053 4.985 1.00 0.00 H new ATOM 0 HA TYR A 14 5.425 -2.142 6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.183 0.086 6.640 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.563 0.706 6.883 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.101 -2.659 7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.117 0.798 9.189 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.013 -3.747 9.811 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.039 -0.286 11.420 1.00 0.00 H new ATOM 0 HH TYR A 14 5.539 -2.088 12.640 1.00 0.00 H new ATOM 202 N GLN A 15 4.381 0.574 4.711 1.00 0.00 N ATOM 203 CA GLN A 15 3.160 1.170 4.101 1.00 0.00 C ATOM 204 C GLN A 15 2.551 0.170 3.122 1.00 0.00 C ATOM 205 O GLN A 15 1.349 0.040 3.016 1.00 0.00 O ATOM 206 CB GLN A 15 3.533 2.454 3.356 1.00 0.00 C ATOM 207 CG GLN A 15 3.523 3.632 4.333 1.00 0.00 C ATOM 208 CD GLN A 15 4.927 3.833 4.907 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.852 3.136 4.540 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.125 4.763 5.801 1.00 0.00 N ATOM 0 H GLN A 15 5.209 1.169 4.693 1.00 0.00 H new ATOM 0 HA GLN A 15 2.437 1.405 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.519 2.351 2.904 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.828 2.634 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.194 4.538 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.813 3.444 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.348 5.348 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.056 4.905 6.192 1.00 0.00 H new ATOM 219 N LEU A 16 3.377 -0.539 2.408 1.00 0.00 N ATOM 220 CA LEU A 16 2.851 -1.537 1.434 1.00 0.00 C ATOM 221 C LEU A 16 2.141 -2.663 2.183 1.00 0.00 C ATOM 222 O LEU A 16 0.983 -2.951 1.953 1.00 0.00 O ATOM 223 CB LEU A 16 4.008 -2.120 0.639 1.00 0.00 C ATOM 224 CG LEU A 16 4.565 -1.037 -0.274 1.00 0.00 C ATOM 225 CD1 LEU A 16 5.984 -0.699 0.148 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.572 -1.540 -1.714 1.00 0.00 C ATOM 0 H LEU A 16 4.394 -0.472 2.455 1.00 0.00 H new ATOM 0 HA LEU A 16 2.147 -1.048 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.784 -2.483 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.671 -2.974 0.051 1.00 0.00 H new ATOM 0 HG LEU A 16 3.941 -0.146 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.383 0.077 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.982 -0.340 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.607 -1.590 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.971 -0.765 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.196 -2.431 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.554 -1.784 -2.019 1.00 0.00 H new ATOM 238 N GLU A 17 2.840 -3.306 3.075 1.00 0.00 N ATOM 239 CA GLU A 17 2.233 -4.427 3.849 1.00 0.00 C ATOM 240 C GLU A 17 0.860 -4.027 4.396 1.00 0.00 C ATOM 241 O GLU A 17 0.056 -4.870 4.742 1.00 0.00 O ATOM 242 CB GLU A 17 3.152 -4.789 5.016 1.00 0.00 C ATOM 243 CG GLU A 17 3.533 -6.269 4.932 1.00 0.00 C ATOM 244 CD GLU A 17 4.471 -6.489 3.744 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.082 -6.150 2.638 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.561 -6.992 3.960 1.00 0.00 O ATOM 0 H GLU A 17 3.813 -3.103 3.304 1.00 0.00 H new ATOM 0 HA GLU A 17 2.110 -5.283 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.049 -4.170 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.651 -4.585 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.019 -6.583 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.637 -6.880 4.820 1.00 0.00 H new ATOM 253 N ASN A 18 0.581 -2.757 4.494 1.00 0.00 N ATOM 254 CA ASN A 18 -0.740 -2.331 5.036 1.00 0.00 C ATOM 255 C ASN A 18 -1.793 -2.342 3.925 1.00 0.00 C ATOM 256 O ASN A 18 -2.947 -2.037 4.154 1.00 0.00 O ATOM 257 CB ASN A 18 -0.624 -0.919 5.615 1.00 0.00 C ATOM 258 CG ASN A 18 -1.269 -0.884 7.002 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.130 -1.686 7.305 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.887 0.018 7.864 1.00 0.00 N ATOM 0 H ASN A 18 1.207 -1.999 4.224 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.043 -3.025 5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.424 -0.626 5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.114 -0.202 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.311 0.049 8.791 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.164 0.692 7.611 1.00 0.00 H new ATOM 267 N TYR A 19 -1.418 -2.697 2.725 1.00 0.00 N ATOM 268 CA TYR A 19 -2.418 -2.727 1.619 1.00 0.00 C ATOM 269 C TYR A 19 -2.391 -4.097 0.948 1.00 0.00 C ATOM 270 O TYR A 19 -2.279 -4.210 -0.256 1.00 0.00 O ATOM 271 CB TYR A 19 -2.083 -1.642 0.594 1.00 0.00 C ATOM 272 CG TYR A 19 -2.029 -0.309 1.295 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.217 0.342 1.656 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.792 0.270 1.599 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.164 1.572 2.322 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.739 1.502 2.262 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.925 2.153 2.625 1.00 0.00 C ATOM 278 OH TYR A 19 -1.873 3.365 3.282 1.00 0.00 O ATOM 0 H TYR A 19 -0.469 -2.966 2.464 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.413 -2.542 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.127 -1.856 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.835 -1.623 -0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.172 -0.105 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.122 -0.234 1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.078 2.074 2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.216 1.950 2.493 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.938 3.625 3.415 1.00 0.00 H new ATOM 288 N CYS A 20 -2.492 -5.142 1.722 1.00 0.00 N ATOM 289 CA CYS A 20 -2.471 -6.506 1.131 1.00 0.00 C ATOM 290 C CYS A 20 -2.952 -7.525 2.167 1.00 0.00 C ATOM 291 O CYS A 20 -2.954 -7.264 3.354 1.00 0.00 O ATOM 292 CB CYS A 20 -1.045 -6.847 0.701 1.00 0.00 C ATOM 293 SG CYS A 20 -1.031 -8.468 -0.103 1.00 0.00 S ATOM 0 H CYS A 20 -2.588 -5.109 2.737 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.132 -6.537 0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.668 -6.086 0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.384 -6.853 1.567 1.00 0.00 H new ATOM 298 N ASN A 21 -3.361 -8.683 1.726 1.00 0.00 N ATOM 299 CA ASN A 21 -3.844 -9.720 2.680 1.00 0.00 C ATOM 300 C ASN A 21 -2.660 -10.550 3.177 1.00 0.00 C ATOM 301 O ASN A 21 -1.577 -9.998 3.281 1.00 0.00 O ATOM 302 CB ASN A 21 -4.847 -10.634 1.974 1.00 0.00 C ATOM 303 CG ASN A 21 -5.918 -9.784 1.290 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.996 -9.458 1.949 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -5.772 -9.409 0.143 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -2.856 -11.723 3.448 1.00 0.00 O ATOM 0 H ASN A 21 -3.381 -8.956 0.743 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.327 -9.235 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.335 -11.254 1.238 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.309 -11.310 2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.930 -9.663 -0.373 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.492 -8.840 -0.303 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.523 -3.359 -1.124 1.00 0.00 N ATOM 315 CA PHE B 1 12.583 -2.218 -0.931 1.00 0.00 C ATOM 316 C PHE B 1 13.219 -1.182 -0.001 1.00 0.00 C ATOM 317 O PHE B 1 13.160 -1.298 1.207 1.00 0.00 O ATOM 318 CB PHE B 1 11.282 -2.731 -0.310 1.00 0.00 C ATOM 319 CG PHE B 1 10.354 -3.197 -1.404 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.573 -2.266 -2.102 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.271 -4.560 -1.722 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.709 -2.697 -3.117 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.406 -4.991 -2.738 1.00 0.00 C ATOM 324 CZ PHE B 1 8.625 -4.059 -3.435 1.00 0.00 C ATOM 0 H1 PHE B 1 13.090 -4.062 -1.756 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.408 -3.012 -1.546 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.728 -3.799 -0.204 1.00 0.00 H new ATOM 0 HA PHE B 1 12.370 -1.756 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.493 -3.551 0.377 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.808 -1.941 0.272 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.637 -1.216 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.873 -5.278 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.107 -1.979 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.342 -6.041 -2.983 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.958 -4.391 -4.217 1.00 0.00 H new ATOM 336 N VAL B 2 13.828 -0.169 -0.555 1.00 0.00 N ATOM 337 CA VAL B 2 14.470 0.875 0.297 1.00 0.00 C ATOM 338 C VAL B 2 13.535 2.079 0.418 1.00 0.00 C ATOM 339 O VAL B 2 12.415 2.057 -0.052 1.00 0.00 O ATOM 340 CB VAL B 2 15.794 1.324 -0.335 1.00 0.00 C ATOM 341 CG1 VAL B 2 16.812 1.608 0.772 1.00 0.00 C ATOM 342 CG2 VAL B 2 16.336 0.220 -1.249 1.00 0.00 C ATOM 0 H VAL B 2 13.909 -0.018 -1.561 1.00 0.00 H new ATOM 0 HA VAL B 2 14.665 0.459 1.285 1.00 0.00 H new ATOM 0 HB VAL B 2 15.624 2.226 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL B 2 17.754 1.927 0.327 1.00 0.00 H new ATOM 0 HG12 VAL B 2 16.432 2.396 1.422 1.00 0.00 H new ATOM 0 HG13 VAL B 2 16.976 0.703 1.357 1.00 0.00 H new ATOM 0 HG21 VAL B 2 17.276 0.545 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL B 2 16.505 -0.685 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL B 2 15.613 0.013 -2.038 1.00 0.00 H new ATOM 352 N ASN B 3 13.989 3.126 1.048 1.00 0.00 N ATOM 353 CA ASN B 3 13.137 4.339 1.209 1.00 0.00 C ATOM 354 C ASN B 3 12.850 4.949 -0.168 1.00 0.00 C ATOM 355 O ASN B 3 13.330 6.016 -0.496 1.00 0.00 O ATOM 356 CB ASN B 3 13.873 5.363 2.081 1.00 0.00 C ATOM 357 CG ASN B 3 15.363 5.355 1.736 1.00 0.00 C ATOM 358 OD1 ASN B 3 16.127 4.605 2.309 1.00 0.00 O ATOM 359 ND2 ASN B 3 15.812 6.163 0.813 1.00 0.00 N ATOM 0 H ASN B 3 14.919 3.195 1.461 1.00 0.00 H new ATOM 0 HA ASN B 3 12.196 4.064 1.685 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.458 6.358 1.920 1.00 0.00 H new ATOM 0 HB3 ASN B 3 13.732 5.125 3.135 1.00 0.00 H new ATOM 0 HD21 ASN B 3 16.804 6.164 0.574 1.00 0.00 H new ATOM 0 HD22 ASN B 3 15.171 6.793 0.331 1.00 0.00 H new ATOM 366 N GLN B 4 12.082 4.273 -0.981 1.00 0.00 N ATOM 367 CA GLN B 4 11.778 4.806 -2.341 1.00 0.00 C ATOM 368 C GLN B 4 10.383 5.446 -2.378 1.00 0.00 C ATOM 369 O GLN B 4 9.703 5.568 -1.369 1.00 0.00 O ATOM 370 CB GLN B 4 11.838 3.662 -3.357 1.00 0.00 C ATOM 371 CG GLN B 4 13.279 3.481 -3.839 1.00 0.00 C ATOM 372 CD GLN B 4 13.541 4.400 -5.034 1.00 0.00 C ATOM 373 OE1 GLN B 4 14.352 5.301 -4.956 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.886 4.206 -6.146 1.00 0.00 N ATOM 0 H GLN B 4 11.652 3.374 -0.762 1.00 0.00 H new ATOM 0 HA GLN B 4 12.516 5.568 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.477 2.739 -2.903 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.185 3.878 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.974 3.711 -3.032 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.451 2.442 -4.122 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.205 3.449 -6.211 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.055 4.811 -6.950 1.00 0.00 H new ATOM 383 N HIS B 5 9.957 5.853 -3.549 1.00 0.00 N ATOM 384 CA HIS B 5 8.615 6.488 -3.696 1.00 0.00 C ATOM 385 C HIS B 5 7.644 5.484 -4.325 1.00 0.00 C ATOM 386 O HIS B 5 7.971 4.804 -5.277 1.00 0.00 O ATOM 387 CB HIS B 5 8.722 7.701 -4.622 1.00 0.00 C ATOM 388 CG HIS B 5 9.697 8.699 -4.062 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.317 9.993 -3.779 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.029 8.591 -3.770 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.410 10.627 -3.333 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.482 9.809 -3.310 1.00 0.00 N ATOM 0 H HIS B 5 10.489 5.770 -4.416 1.00 0.00 H new ATOM 0 HA HIS B 5 8.256 6.796 -2.714 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.045 7.383 -5.613 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.743 8.165 -4.739 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.627 7.699 -3.881 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.430 11.663 -3.030 1.00 0.00 H new ATOM 0 HE2 HIS B 5 12.430 10.043 -3.014 1.00 0.00 H new ATOM 400 N LEU B 6 6.450 5.399 -3.813 1.00 0.00 N ATOM 401 CA LEU B 6 5.455 4.455 -4.390 1.00 0.00 C ATOM 402 C LEU B 6 4.475 5.241 -5.263 1.00 0.00 C ATOM 403 O LEU B 6 3.880 6.204 -4.822 1.00 0.00 O ATOM 404 CB LEU B 6 4.698 3.772 -3.253 1.00 0.00 C ATOM 405 CG LEU B 6 5.144 2.314 -3.137 1.00 0.00 C ATOM 406 CD1 LEU B 6 6.668 2.251 -3.005 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.504 1.687 -1.898 1.00 0.00 C ATOM 0 H LEU B 6 6.119 5.944 -3.017 1.00 0.00 H new ATOM 0 HA LEU B 6 5.958 3.700 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.884 4.295 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.625 3.820 -3.438 1.00 0.00 H new ATOM 0 HG LEU B 6 4.834 1.768 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.983 1.211 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU B 6 7.128 2.701 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.979 2.796 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.820 0.647 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.817 2.236 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.419 1.730 -1.988 1.00 0.00 H new ATOM 419 N CYS B 7 4.300 4.849 -6.495 1.00 0.00 N ATOM 420 CA CYS B 7 3.355 5.597 -7.371 1.00 0.00 C ATOM 421 C CYS B 7 2.479 4.616 -8.158 1.00 0.00 C ATOM 422 O CYS B 7 2.952 3.605 -8.627 1.00 0.00 O ATOM 423 CB CYS B 7 4.146 6.467 -8.349 1.00 0.00 C ATOM 424 SG CYS B 7 4.932 7.826 -7.446 1.00 0.00 S ATOM 0 H CYS B 7 4.765 4.052 -6.929 1.00 0.00 H new ATOM 0 HA CYS B 7 2.718 6.227 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.902 5.868 -8.856 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.483 6.863 -9.119 1.00 0.00 H new ATOM 429 N GLY B 8 1.209 4.934 -8.292 1.00 0.00 N ATOM 430 CA GLY B 8 0.231 4.064 -9.040 1.00 0.00 C ATOM 431 C GLY B 8 0.915 2.870 -9.717 1.00 0.00 C ATOM 432 O GLY B 8 1.197 1.869 -9.088 1.00 0.00 O ATOM 0 H GLY B 8 0.797 5.783 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.530 3.701 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.281 4.662 -9.794 1.00 0.00 H new ATOM 436 N SER B 9 1.165 2.968 -10.999 1.00 0.00 N ATOM 437 CA SER B 9 1.815 1.843 -11.738 1.00 0.00 C ATOM 438 C SER B 9 2.873 1.171 -10.858 1.00 0.00 C ATOM 439 O SER B 9 2.711 0.047 -10.425 1.00 0.00 O ATOM 440 CB SER B 9 2.477 2.383 -13.006 1.00 0.00 C ATOM 441 OG SER B 9 1.675 3.426 -13.545 1.00 0.00 O ATOM 0 H SER B 9 0.945 3.785 -11.569 1.00 0.00 H new ATOM 0 HA SER B 9 1.055 1.107 -12.002 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.475 2.757 -12.778 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.595 1.584 -13.738 1.00 0.00 H new ATOM 0 HG SER B 9 2.097 3.776 -14.357 1.00 0.00 H new ATOM 447 N ASP B 10 3.951 1.851 -10.584 1.00 0.00 N ATOM 448 CA ASP B 10 5.011 1.252 -9.726 1.00 0.00 C ATOM 449 C ASP B 10 4.354 0.651 -8.491 1.00 0.00 C ATOM 450 O ASP B 10 4.665 -0.441 -8.067 1.00 0.00 O ATOM 451 CB ASP B 10 5.976 2.353 -9.285 1.00 0.00 C ATOM 452 CG ASP B 10 6.604 3.007 -10.518 1.00 0.00 C ATOM 453 OD1 ASP B 10 7.284 2.310 -11.253 1.00 0.00 O ATOM 454 OD2 ASP B 10 6.392 4.194 -10.708 1.00 0.00 O ATOM 0 H ASP B 10 4.144 2.796 -10.917 1.00 0.00 H new ATOM 0 HA ASP B 10 5.552 0.484 -10.279 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.446 3.100 -8.694 1.00 0.00 H new ATOM 0 HB3 ASP B 10 6.754 1.935 -8.646 1.00 0.00 H new ATOM 459 N LEU B 11 3.443 1.373 -7.918 1.00 0.00 N ATOM 460 CA LEU B 11 2.735 0.891 -6.708 1.00 0.00 C ATOM 461 C LEU B 11 2.277 -0.551 -6.926 1.00 0.00 C ATOM 462 O LEU B 11 2.517 -1.418 -6.110 1.00 0.00 O ATOM 463 CB LEU B 11 1.523 1.795 -6.479 1.00 0.00 C ATOM 464 CG LEU B 11 1.124 1.854 -4.999 1.00 0.00 C ATOM 465 CD1 LEU B 11 2.355 1.989 -4.102 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.236 3.077 -4.791 1.00 0.00 C ATOM 0 H LEU B 11 3.153 2.295 -8.243 1.00 0.00 H new ATOM 0 HA LEU B 11 3.394 0.920 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.748 2.801 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.681 1.430 -7.067 1.00 0.00 H new ATOM 0 HG LEU B 11 0.602 0.934 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.042 2.029 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.010 1.131 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.891 2.904 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.060 3.138 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.786 3.977 -5.066 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.654 2.991 -5.415 1.00 0.00 H new ATOM 478 N ALA B 12 1.624 -0.819 -8.022 1.00 0.00 N ATOM 479 CA ALA B 12 1.166 -2.209 -8.279 1.00 0.00 C ATOM 480 C ALA B 12 2.386 -3.103 -8.476 1.00 0.00 C ATOM 481 O ALA B 12 2.553 -4.090 -7.792 1.00 0.00 O ATOM 482 CB ALA B 12 0.297 -2.254 -9.536 1.00 0.00 C ATOM 0 H ALA B 12 1.390 -0.139 -8.746 1.00 0.00 H new ATOM 0 HA ALA B 12 0.578 -2.558 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -0.033 -3.278 -9.714 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.573 -1.611 -9.400 1.00 0.00 H new ATOM 0 HB3 ALA B 12 0.876 -1.905 -10.391 1.00 0.00 H new ATOM 488 N GLU B 13 3.247 -2.764 -9.400 1.00 0.00 N ATOM 489 CA GLU B 13 4.455 -3.604 -9.623 1.00 0.00 C ATOM 490 C GLU B 13 5.218 -3.734 -8.305 1.00 0.00 C ATOM 491 O GLU B 13 5.806 -4.757 -8.015 1.00 0.00 O ATOM 492 CB GLU B 13 5.349 -2.951 -10.680 1.00 0.00 C ATOM 493 CG GLU B 13 5.129 -3.644 -12.027 1.00 0.00 C ATOM 494 CD GLU B 13 6.227 -3.226 -13.005 1.00 0.00 C ATOM 495 OE1 GLU B 13 7.375 -3.557 -12.755 1.00 0.00 O ATOM 496 OE2 GLU B 13 5.902 -2.584 -13.990 1.00 0.00 O ATOM 0 H GLU B 13 3.165 -1.947 -10.005 1.00 0.00 H new ATOM 0 HA GLU B 13 4.159 -4.593 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.118 -1.889 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.396 -3.028 -10.385 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.137 -4.726 -11.896 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.151 -3.379 -12.428 1.00 0.00 H new ATOM 503 N ALA B 14 5.198 -2.709 -7.494 1.00 0.00 N ATOM 504 CA ALA B 14 5.904 -2.784 -6.186 1.00 0.00 C ATOM 505 C ALA B 14 5.149 -3.760 -5.288 1.00 0.00 C ATOM 506 O ALA B 14 5.727 -4.648 -4.697 1.00 0.00 O ATOM 507 CB ALA B 14 5.932 -1.401 -5.532 1.00 0.00 C ATOM 0 H ALA B 14 4.724 -1.826 -7.682 1.00 0.00 H new ATOM 0 HA ALA B 14 6.929 -3.123 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.450 -1.462 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.455 -0.701 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.911 -1.054 -5.371 1.00 0.00 H new ATOM 513 N LEU B 15 3.853 -3.621 -5.204 1.00 0.00 N ATOM 514 CA LEU B 15 3.071 -4.567 -4.367 1.00 0.00 C ATOM 515 C LEU B 15 3.113 -5.929 -5.055 1.00 0.00 C ATOM 516 O LEU B 15 3.057 -6.969 -4.430 1.00 0.00 O ATOM 517 CB LEU B 15 1.620 -4.094 -4.265 1.00 0.00 C ATOM 518 CG LEU B 15 1.542 -2.882 -3.339 1.00 0.00 C ATOM 519 CD1 LEU B 15 0.212 -2.162 -3.555 1.00 0.00 C ATOM 520 CD2 LEU B 15 1.633 -3.352 -1.888 1.00 0.00 C ATOM 0 H LEU B 15 3.309 -2.899 -5.676 1.00 0.00 H new ATOM 0 HA LEU B 15 3.490 -4.624 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.241 -3.835 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.991 -4.898 -3.883 1.00 0.00 H new ATOM 0 HG LEU B 15 2.364 -2.201 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.155 -1.297 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.141 -1.833 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.610 -2.842 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.578 -2.491 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.807 -4.030 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.579 -3.871 -1.732 1.00 0.00 H new ATOM 532 N TYR B 16 3.222 -5.911 -6.356 1.00 0.00 N ATOM 533 CA TYR B 16 3.286 -7.172 -7.141 1.00 0.00 C ATOM 534 C TYR B 16 4.533 -7.949 -6.740 1.00 0.00 C ATOM 535 O TYR B 16 4.649 -9.134 -6.982 1.00 0.00 O ATOM 536 CB TYR B 16 3.393 -6.821 -8.627 1.00 0.00 C ATOM 537 CG TYR B 16 2.287 -7.491 -9.392 1.00 0.00 C ATOM 538 CD1 TYR B 16 2.203 -8.887 -9.427 1.00 0.00 C ATOM 539 CD2 TYR B 16 1.345 -6.712 -10.070 1.00 0.00 C ATOM 540 CE1 TYR B 16 1.169 -9.506 -10.143 1.00 0.00 C ATOM 541 CE2 TYR B 16 0.311 -7.327 -10.786 1.00 0.00 C ATOM 542 CZ TYR B 16 0.222 -8.726 -10.823 1.00 0.00 C ATOM 543 OH TYR B 16 -0.796 -9.335 -11.528 1.00 0.00 O ATOM 0 H TYR B 16 3.270 -5.059 -6.915 1.00 0.00 H new ATOM 0 HA TYR B 16 2.395 -7.770 -6.952 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.336 -5.741 -8.759 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.360 -7.139 -9.016 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.933 -9.486 -8.904 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.415 -5.635 -10.041 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.101 -10.584 -10.171 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.417 -6.725 -11.309 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.364 -8.651 -11.939 1.00 0.00 H new ATOM 553 N LEU B 17 5.482 -7.275 -6.163 1.00 0.00 N ATOM 554 CA LEU B 17 6.742 -7.936 -5.779 1.00 0.00 C ATOM 555 C LEU B 17 6.776 -8.153 -4.261 1.00 0.00 C ATOM 556 O LEU B 17 7.622 -8.852 -3.742 1.00 0.00 O ATOM 557 CB LEU B 17 7.869 -7.019 -6.226 1.00 0.00 C ATOM 558 CG LEU B 17 9.225 -7.629 -5.913 1.00 0.00 C ATOM 559 CD1 LEU B 17 9.196 -9.153 -6.087 1.00 0.00 C ATOM 560 CD2 LEU B 17 10.237 -7.043 -6.886 1.00 0.00 C ATOM 0 H LEU B 17 5.432 -6.281 -5.940 1.00 0.00 H new ATOM 0 HA LEU B 17 6.840 -8.915 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.788 -6.834 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.777 -6.054 -5.728 1.00 0.00 H new ATOM 0 HG LEU B 17 9.490 -7.406 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.179 -9.564 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.456 -9.582 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.933 -9.397 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.222 -7.464 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.942 -7.284 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.274 -5.960 -6.765 1.00 0.00 H new ATOM 572 N VAL B 18 5.853 -7.573 -3.541 1.00 0.00 N ATOM 573 CA VAL B 18 5.833 -7.770 -2.064 1.00 0.00 C ATOM 574 C VAL B 18 4.807 -8.846 -1.726 1.00 0.00 C ATOM 575 O VAL B 18 5.024 -9.688 -0.878 1.00 0.00 O ATOM 576 CB VAL B 18 5.453 -6.457 -1.366 1.00 0.00 C ATOM 577 CG1 VAL B 18 6.089 -5.294 -2.109 1.00 0.00 C ATOM 578 CG2 VAL B 18 3.931 -6.269 -1.366 1.00 0.00 C ATOM 0 H VAL B 18 5.115 -6.974 -3.911 1.00 0.00 H new ATOM 0 HA VAL B 18 6.821 -8.077 -1.721 1.00 0.00 H new ATOM 0 HB VAL B 18 5.809 -6.492 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.822 -4.359 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.173 -5.409 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.729 -5.279 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.680 -5.333 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.568 -6.241 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.462 -7.099 -0.838 1.00 0.00 H new ATOM 588 N CYS B 19 3.685 -8.815 -2.387 1.00 0.00 N ATOM 589 CA CYS B 19 2.635 -9.823 -2.110 1.00 0.00 C ATOM 590 C CYS B 19 2.544 -10.798 -3.285 1.00 0.00 C ATOM 591 O CYS B 19 2.207 -11.954 -3.120 1.00 0.00 O ATOM 592 CB CYS B 19 1.291 -9.116 -1.924 1.00 0.00 C ATOM 593 SG CYS B 19 0.922 -8.978 -0.158 1.00 0.00 S ATOM 0 H CYS B 19 3.452 -8.132 -3.108 1.00 0.00 H new ATOM 0 HA CYS B 19 2.885 -10.373 -1.203 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.323 -8.126 -2.378 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.502 -9.673 -2.429 1.00 0.00 H new ATOM 598 N GLY B 20 2.839 -10.339 -4.471 1.00 0.00 N ATOM 599 CA GLY B 20 2.766 -11.239 -5.655 1.00 0.00 C ATOM 600 C GLY B 20 1.380 -11.882 -5.711 1.00 0.00 C ATOM 601 O GLY B 20 0.397 -11.237 -6.015 1.00 0.00 O ATOM 0 H GLY B 20 3.127 -9.381 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.956 -10.675 -6.568 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.535 -12.009 -5.590 1.00 0.00 H new ATOM 605 N GLU B 21 1.291 -13.149 -5.413 1.00 0.00 N ATOM 606 CA GLU B 21 -0.035 -13.825 -5.443 1.00 0.00 C ATOM 607 C GLU B 21 -0.697 -13.698 -4.068 1.00 0.00 C ATOM 608 O GLU B 21 -1.764 -14.229 -3.831 1.00 0.00 O ATOM 609 CB GLU B 21 0.150 -15.304 -5.791 1.00 0.00 C ATOM 610 CG GLU B 21 1.068 -15.966 -4.761 1.00 0.00 C ATOM 611 CD GLU B 21 1.249 -17.444 -5.117 1.00 0.00 C ATOM 612 OE1 GLU B 21 1.034 -17.786 -6.268 1.00 0.00 O ATOM 613 OE2 GLU B 21 1.599 -18.207 -4.233 1.00 0.00 O ATOM 0 H GLU B 21 2.077 -13.743 -5.151 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.667 -13.356 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.817 -15.807 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.577 -15.402 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.035 -15.464 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.641 -15.871 -3.763 1.00 0.00 H new ATOM 620 N ARG B 22 -0.076 -12.994 -3.160 1.00 0.00 N ATOM 621 CA ARG B 22 -0.673 -12.829 -1.804 1.00 0.00 C ATOM 622 C ARG B 22 -1.962 -12.016 -1.912 1.00 0.00 C ATOM 623 O ARG B 22 -2.765 -11.980 -1.001 1.00 0.00 O ATOM 624 CB ARG B 22 0.317 -12.096 -0.896 1.00 0.00 C ATOM 625 CG ARG B 22 1.300 -13.102 -0.294 1.00 0.00 C ATOM 626 CD ARG B 22 0.562 -14.007 0.694 1.00 0.00 C ATOM 627 NE ARG B 22 1.366 -14.137 1.943 1.00 0.00 N ATOM 628 CZ ARG B 22 0.962 -14.928 2.899 1.00 0.00 C ATOM 629 NH1 ARG B 22 -0.304 -14.976 3.214 1.00 0.00 N ATOM 630 NH2 ARG B 22 1.824 -15.671 3.539 1.00 0.00 N ATOM 0 H ARG B 22 0.819 -12.526 -3.299 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.895 -13.809 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.857 -11.340 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.218 -11.575 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.753 -13.701 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.110 -12.577 0.212 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.419 -13.591 0.922 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.397 -14.989 0.251 1.00 0.00 H new ATOM 0 HE ARG B 22 2.231 -13.608 2.050 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.977 -14.395 2.713 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.621 -15.594 3.961 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.813 -15.633 3.292 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.509 -16.289 4.286 1.00 0.00 H new ATOM 644 N GLY B 23 -2.169 -11.362 -3.022 1.00 0.00 N ATOM 645 CA GLY B 23 -3.408 -10.553 -3.191 1.00 0.00 C ATOM 646 C GLY B 23 -3.243 -9.206 -2.487 1.00 0.00 C ATOM 647 O GLY B 23 -3.577 -9.055 -1.329 1.00 0.00 O ATOM 0 H GLY B 23 -1.533 -11.353 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.611 -10.398 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.263 -11.088 -2.777 1.00 0.00 H new ATOM 651 N PHE B 24 -2.739 -8.222 -3.180 1.00 0.00 N ATOM 652 CA PHE B 24 -2.564 -6.885 -2.547 1.00 0.00 C ATOM 653 C PHE B 24 -3.604 -5.923 -3.114 1.00 0.00 C ATOM 654 O PHE B 24 -3.620 -5.638 -4.295 1.00 0.00 O ATOM 655 CB PHE B 24 -1.156 -6.355 -2.829 1.00 0.00 C ATOM 656 CG PHE B 24 -0.945 -6.237 -4.319 1.00 0.00 C ATOM 657 CD1 PHE B 24 -0.605 -7.370 -5.069 1.00 0.00 C ATOM 658 CD2 PHE B 24 -1.086 -4.994 -4.952 1.00 0.00 C ATOM 659 CE1 PHE B 24 -0.407 -7.262 -6.452 1.00 0.00 C ATOM 660 CE2 PHE B 24 -0.886 -4.885 -6.335 1.00 0.00 C ATOM 661 CZ PHE B 24 -0.547 -6.020 -7.085 1.00 0.00 C ATOM 0 H PHE B 24 -2.442 -8.286 -4.154 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.697 -6.972 -1.469 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.021 -5.383 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.412 -7.025 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.495 -8.327 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.349 -4.120 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.146 -8.136 -7.030 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.993 -3.927 -6.823 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.394 -5.937 -8.151 1.00 0.00 H new ATOM 671 N PHE B 25 -4.490 -5.439 -2.288 1.00 0.00 N ATOM 672 CA PHE B 25 -5.539 -4.520 -2.798 1.00 0.00 C ATOM 673 C PHE B 25 -5.198 -3.062 -2.479 1.00 0.00 C ATOM 674 O PHE B 25 -5.071 -2.676 -1.334 1.00 0.00 O ATOM 675 CB PHE B 25 -6.884 -4.873 -2.159 1.00 0.00 C ATOM 676 CG PHE B 25 -6.791 -4.709 -0.661 1.00 0.00 C ATOM 677 CD1 PHE B 25 -6.310 -5.759 0.132 1.00 0.00 C ATOM 678 CD2 PHE B 25 -7.188 -3.505 -0.064 1.00 0.00 C ATOM 679 CE1 PHE B 25 -6.226 -5.604 1.523 1.00 0.00 C ATOM 680 CE2 PHE B 25 -7.104 -3.350 1.325 1.00 0.00 C ATOM 681 CZ PHE B 25 -6.623 -4.399 2.119 1.00 0.00 C ATOM 0 H PHE B 25 -4.531 -5.640 -1.289 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.595 -4.635 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.668 -4.229 -2.558 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.158 -5.899 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.004 -6.687 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.559 -2.696 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.855 -6.413 2.135 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.410 -2.422 1.784 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.558 -4.279 3.190 1.00 0.00 H new ATOM 691 N TYR B 26 -5.088 -2.243 -3.490 1.00 0.00 N ATOM 692 CA TYR B 26 -4.803 -0.797 -3.268 1.00 0.00 C ATOM 693 C TYR B 26 -6.057 -0.008 -3.670 1.00 0.00 C ATOM 694 O TYR B 26 -6.001 1.167 -3.977 1.00 0.00 O ATOM 695 CB TYR B 26 -3.599 -0.370 -4.128 1.00 0.00 C ATOM 696 CG TYR B 26 -4.064 0.067 -5.500 1.00 0.00 C ATOM 697 CD1 TYR B 26 -4.506 -0.885 -6.425 1.00 0.00 C ATOM 698 CD2 TYR B 26 -4.065 1.427 -5.837 1.00 0.00 C ATOM 699 CE1 TYR B 26 -4.950 -0.479 -7.690 1.00 0.00 C ATOM 700 CE2 TYR B 26 -4.508 1.834 -7.101 1.00 0.00 C ATOM 701 CZ TYR B 26 -4.951 0.881 -8.028 1.00 0.00 C ATOM 702 OH TYR B 26 -5.388 1.281 -9.275 1.00 0.00 O ATOM 0 H TYR B 26 -5.184 -2.517 -4.468 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.559 -0.604 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.066 0.446 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -2.897 -1.199 -4.221 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.505 -1.933 -6.164 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.724 2.161 -5.122 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.291 -1.214 -8.404 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.508 2.882 -7.362 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.325 2.256 -9.346 1.00 0.00 H new ATOM 712 N THR B 27 -7.177 -0.683 -3.690 1.00 0.00 N ATOM 713 CA THR B 27 -8.472 -0.057 -4.088 1.00 0.00 C ATOM 714 C THR B 27 -8.505 1.435 -3.756 1.00 0.00 C ATOM 715 O THR B 27 -9.058 2.213 -4.503 1.00 0.00 O ATOM 716 CB THR B 27 -9.604 -0.794 -3.356 1.00 0.00 C ATOM 717 OG1 THR B 27 -10.753 -0.846 -4.190 1.00 0.00 O ATOM 718 CG2 THR B 27 -9.964 -0.098 -2.037 1.00 0.00 C ATOM 0 H THR B 27 -7.249 -1.669 -3.440 1.00 0.00 H new ATOM 0 HA THR B 27 -8.595 -0.143 -5.168 1.00 0.00 H new ATOM 0 HB THR B 27 -9.259 -1.802 -3.127 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.475 -1.318 -3.724 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.768 -0.645 -1.545 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.089 -0.075 -1.387 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.291 0.922 -2.241 1.00 0.00 H new ATOM 726 N LYS B 28 -7.927 1.815 -2.641 1.00 0.00 N ATOM 727 CA LYS B 28 -7.915 3.256 -2.204 1.00 0.00 C ATOM 728 C LYS B 28 -8.962 4.078 -2.972 1.00 0.00 C ATOM 729 O LYS B 28 -8.731 4.465 -4.101 1.00 0.00 O ATOM 730 CB LYS B 28 -6.533 3.858 -2.449 1.00 0.00 C ATOM 731 CG LYS B 28 -6.417 5.174 -1.675 1.00 0.00 C ATOM 732 CD LYS B 28 -6.876 6.340 -2.553 1.00 0.00 C ATOM 733 CE LYS B 28 -5.760 6.722 -3.523 1.00 0.00 C ATOM 734 NZ LYS B 28 -5.671 8.207 -3.609 1.00 0.00 N ATOM 0 H LYS B 28 -7.453 1.178 -2.001 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.156 3.287 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.757 3.163 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.382 4.033 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.024 5.128 -0.771 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -5.385 5.330 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.773 6.061 -3.106 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.139 7.195 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -4.810 6.308 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -5.958 6.300 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -4.697 8.483 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.318 8.551 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -5.936 8.624 -2.694 1.00 0.00 H new ATOM 748 N PRO B 29 -10.084 4.317 -2.344 1.00 0.00 N ATOM 749 CA PRO B 29 -11.187 5.082 -2.957 1.00 0.00 C ATOM 750 C PRO B 29 -10.868 6.581 -2.964 1.00 0.00 C ATOM 751 O PRO B 29 -11.549 7.373 -2.343 1.00 0.00 O ATOM 752 CB PRO B 29 -12.383 4.774 -2.052 1.00 0.00 C ATOM 753 CG PRO B 29 -11.796 4.334 -0.690 1.00 0.00 C ATOM 754 CD PRO B 29 -10.358 3.855 -0.967 1.00 0.00 C ATOM 0 HA PRO B 29 -11.368 4.813 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.019 5.652 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -13.002 3.986 -2.481 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.799 5.162 0.019 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.393 3.535 -0.250 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -9.651 4.282 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.276 2.771 -0.886 1.00 0.00 H new ATOM 762 N THR B 30 -9.839 6.972 -3.668 1.00 0.00 N ATOM 763 CA THR B 30 -9.468 8.416 -3.727 1.00 0.00 C ATOM 764 C THR B 30 -9.616 9.046 -2.341 1.00 0.00 C ATOM 765 O THR B 30 -10.672 9.594 -2.071 1.00 0.00 O ATOM 766 CB THR B 30 -10.384 9.140 -4.719 1.00 0.00 C ATOM 767 OG1 THR B 30 -11.108 8.182 -5.478 1.00 0.00 O ATOM 768 CG2 THR B 30 -9.537 10.003 -5.656 1.00 0.00 C ATOM 769 OXT THR B 30 -8.671 8.970 -1.574 1.00 0.00 O ATOM 0 H THR B 30 -9.237 6.350 -4.207 1.00 0.00 H new ATOM 0 HA THR B 30 -8.432 8.508 -4.054 1.00 0.00 H new ATOM 0 HB THR B 30 -11.083 9.775 -4.175 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.696 8.643 -6.112 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.187 10.519 -6.363 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.981 10.737 -5.072 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.838 9.369 -6.202 1.00 0.00 H new TER 777 THR B 30