USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 378 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 : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.132 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.93 K(o=-0.93,f=-2.1!) USER MOD Single : A 18 ASN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.135 USER MOD Single : A 21 ASN : amide:sc= -3.76! C(o=-3.8!,f=-6.1!) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0368 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.447 K(o=-0.45,f=-5.4!) USER MOD Single : B 4 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.021) USER MOD Single : B 5 HIS : no HD1:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc= -1.31 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.460 7.478 4.479 1.00 0.00 N ATOM 2 CA GLY A 1 -0.852 6.330 3.673 1.00 0.00 C ATOM 3 C GLY A 1 0.579 6.403 3.264 1.00 0.00 C ATOM 4 O GLY A 1 1.180 7.459 3.259 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.459 7.270 4.680 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.942 7.586 5.374 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.394 8.360 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.980 5.417 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.446 6.216 2.766 1.00 0.00 H new ATOM 10 N ILE A 2 1.163 5.289 2.908 1.00 0.00 N ATOM 11 CA ILE A 2 2.591 5.304 2.487 1.00 0.00 C ATOM 12 C ILE A 2 2.718 6.060 1.164 1.00 0.00 C ATOM 13 O ILE A 2 3.651 6.810 0.955 1.00 0.00 O ATOM 14 CB ILE A 2 3.089 3.871 2.308 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.543 3.895 1.827 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.221 3.160 1.272 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.236 2.592 2.225 1.00 0.00 C ATOM 0 H ILE A 2 0.713 4.374 2.891 1.00 0.00 H new ATOM 0 HA ILE A 2 3.191 5.799 3.250 1.00 0.00 H new ATOM 0 HB ILE A 2 3.029 3.341 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.577 4.021 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.067 4.745 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.574 2.137 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.186 3.146 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.283 3.689 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.270 2.611 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.215 2.485 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.717 1.750 1.768 1.00 0.00 H new ATOM 29 N VAL A 3 1.791 5.863 0.266 1.00 0.00 N ATOM 30 CA VAL A 3 1.867 6.573 -1.046 1.00 0.00 C ATOM 31 C VAL A 3 2.258 8.030 -0.822 1.00 0.00 C ATOM 32 O VAL A 3 3.191 8.524 -1.412 1.00 0.00 O ATOM 33 CB VAL A 3 0.517 6.530 -1.771 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.236 5.106 -2.240 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.604 6.999 -0.836 1.00 0.00 C ATOM 0 H VAL A 3 0.988 5.245 0.382 1.00 0.00 H new ATOM 0 HA VAL A 3 2.616 6.072 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 3 0.556 7.196 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.724 5.075 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.024 4.785 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.207 4.438 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.557 6.963 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.648 6.346 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.406 8.021 -0.514 1.00 0.00 H new ATOM 45 N GLU A 4 1.551 8.730 0.017 1.00 0.00 N ATOM 46 CA GLU A 4 1.900 10.158 0.250 1.00 0.00 C ATOM 47 C GLU A 4 3.253 10.243 0.960 1.00 0.00 C ATOM 48 O GLU A 4 3.889 11.277 0.981 1.00 0.00 O ATOM 49 CB GLU A 4 0.822 10.819 1.110 1.00 0.00 C ATOM 50 CG GLU A 4 -0.522 10.759 0.381 1.00 0.00 C ATOM 51 CD GLU A 4 -1.430 11.880 0.892 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.703 11.898 2.080 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.837 12.699 0.085 1.00 0.00 O ATOM 0 H GLU A 4 0.753 8.380 0.548 1.00 0.00 H new ATOM 0 HA GLU A 4 1.961 10.677 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.748 10.312 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.090 11.855 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.370 10.861 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.994 9.790 0.546 1.00 0.00 H new ATOM 60 N GLN A 5 3.701 9.162 1.537 1.00 0.00 N ATOM 61 CA GLN A 5 5.015 9.184 2.237 1.00 0.00 C ATOM 62 C GLN A 5 6.136 8.973 1.217 1.00 0.00 C ATOM 63 O GLN A 5 7.193 9.565 1.310 1.00 0.00 O ATOM 64 CB GLN A 5 5.058 8.064 3.280 1.00 0.00 C ATOM 65 CG GLN A 5 5.911 8.505 4.469 1.00 0.00 C ATOM 66 CD GLN A 5 5.037 8.588 5.722 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.075 9.329 5.757 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.334 7.854 6.759 1.00 0.00 N ATOM 0 H GLN A 5 3.214 8.266 1.554 1.00 0.00 H new ATOM 0 HA GLN A 5 5.148 10.146 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.048 7.824 3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.472 7.158 2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.726 7.799 4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.365 9.475 4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.142 7.232 6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.758 7.902 7.600 1.00 0.00 H new ATOM 77 N CYS A 6 5.910 8.134 0.242 1.00 0.00 N ATOM 78 CA CYS A 6 6.959 7.885 -0.785 1.00 0.00 C ATOM 79 C CYS A 6 6.628 8.674 -2.050 1.00 0.00 C ATOM 80 O CYS A 6 7.495 9.014 -2.831 1.00 0.00 O ATOM 81 CB CYS A 6 7.003 6.390 -1.112 1.00 0.00 C ATOM 82 SG CYS A 6 7.094 5.437 0.425 1.00 0.00 S ATOM 0 H CYS A 6 5.044 7.611 0.113 1.00 0.00 H new ATOM 0 HA CYS A 6 7.929 8.203 -0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.116 6.104 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.866 6.170 -1.740 1.00 0.00 H new ATOM 87 N CYS A 7 5.378 8.966 -2.259 1.00 0.00 N ATOM 88 CA CYS A 7 4.978 9.730 -3.472 1.00 0.00 C ATOM 89 C CYS A 7 5.190 11.226 -3.230 1.00 0.00 C ATOM 90 O CYS A 7 5.282 12.008 -4.156 1.00 0.00 O ATOM 91 CB CYS A 7 3.503 9.458 -3.784 1.00 0.00 C ATOM 92 SG CYS A 7 3.223 9.664 -5.560 1.00 0.00 S ATOM 0 H CYS A 7 4.611 8.707 -1.639 1.00 0.00 H new ATOM 0 HA CYS A 7 5.589 9.415 -4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.234 8.448 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.868 10.142 -3.222 1.00 0.00 H new ATOM 97 N THR A 8 5.280 11.631 -1.992 1.00 0.00 N ATOM 98 CA THR A 8 5.498 13.075 -1.694 1.00 0.00 C ATOM 99 C THR A 8 6.829 13.238 -0.966 1.00 0.00 C ATOM 100 O THR A 8 7.568 14.174 -1.192 1.00 0.00 O ATOM 101 CB THR A 8 4.363 13.598 -0.810 1.00 0.00 C ATOM 102 OG1 THR A 8 3.115 13.304 -1.420 1.00 0.00 O ATOM 103 CG2 THR A 8 4.508 15.110 -0.637 1.00 0.00 C ATOM 0 H THR A 8 5.212 11.024 -1.175 1.00 0.00 H new ATOM 0 HA THR A 8 5.515 13.642 -2.625 1.00 0.00 H new ATOM 0 HB THR A 8 4.410 13.117 0.167 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.388 13.637 -0.854 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.700 15.483 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.466 15.332 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.461 15.594 -1.613 1.00 0.00 H new ATOM 111 N SER A 9 7.135 12.323 -0.096 1.00 0.00 N ATOM 112 CA SER A 9 8.418 12.398 0.657 1.00 0.00 C ATOM 113 C SER A 9 9.221 11.121 0.402 1.00 0.00 C ATOM 114 O SER A 9 9.118 10.512 -0.643 1.00 0.00 O ATOM 115 CB SER A 9 8.126 12.532 2.152 1.00 0.00 C ATOM 116 OG SER A 9 8.983 13.520 2.710 1.00 0.00 O ATOM 0 H SER A 9 6.549 11.519 0.130 1.00 0.00 H new ATOM 0 HA SER A 9 8.991 13.264 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.083 12.808 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.280 11.576 2.652 1.00 0.00 H new ATOM 0 HG SER A 9 8.798 13.610 3.668 1.00 0.00 H new ATOM 122 N ILE A 10 10.019 10.708 1.348 1.00 0.00 N ATOM 123 CA ILE A 10 10.822 9.467 1.151 1.00 0.00 C ATOM 124 C ILE A 10 10.494 8.465 2.259 1.00 0.00 C ATOM 125 O ILE A 10 10.087 8.834 3.343 1.00 0.00 O ATOM 126 CB ILE A 10 12.317 9.804 1.200 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.729 10.556 -0.072 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.127 8.513 1.304 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.072 11.937 -0.086 1.00 0.00 C ATOM 0 H ILE A 10 10.150 11.174 2.246 1.00 0.00 H new ATOM 0 HA ILE A 10 10.579 9.034 0.181 1.00 0.00 H new ATOM 0 HB ILE A 10 12.510 10.433 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.814 10.658 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.429 9.990 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.190 8.752 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.845 7.979 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.925 7.886 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.365 12.470 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.988 11.824 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.394 12.502 0.789 1.00 0.00 H new ATOM 141 N CYS A 11 10.672 7.200 1.996 1.00 0.00 N ATOM 142 CA CYS A 11 10.374 6.171 3.036 1.00 0.00 C ATOM 143 C CYS A 11 11.611 5.298 3.258 1.00 0.00 C ATOM 144 O CYS A 11 12.389 5.066 2.355 1.00 0.00 O ATOM 145 CB CYS A 11 9.198 5.286 2.594 1.00 0.00 C ATOM 146 SG CYS A 11 9.073 5.256 0.785 1.00 0.00 S ATOM 0 H CYS A 11 11.011 6.833 1.107 1.00 0.00 H new ATOM 0 HA CYS A 11 10.106 6.676 3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.335 4.273 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.270 5.663 3.023 1.00 0.00 H new ATOM 151 N SER A 12 11.799 4.813 4.456 1.00 0.00 N ATOM 152 CA SER A 12 12.986 3.957 4.736 1.00 0.00 C ATOM 153 C SER A 12 12.621 2.487 4.509 1.00 0.00 C ATOM 154 O SER A 12 11.474 2.101 4.606 1.00 0.00 O ATOM 155 CB SER A 12 13.425 4.153 6.187 1.00 0.00 C ATOM 156 OG SER A 12 12.579 3.393 7.040 1.00 0.00 O ATOM 0 H SER A 12 11.182 4.973 5.252 1.00 0.00 H new ATOM 0 HA SER A 12 13.801 4.237 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.462 3.840 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.377 5.209 6.454 1.00 0.00 H new ATOM 0 HG SER A 12 12.859 3.515 7.971 1.00 0.00 H new ATOM 162 N LEU A 13 13.591 1.666 4.212 1.00 0.00 N ATOM 163 CA LEU A 13 13.298 0.224 3.983 1.00 0.00 C ATOM 164 C LEU A 13 12.572 -0.345 5.202 1.00 0.00 C ATOM 165 O LEU A 13 11.594 -1.052 5.076 1.00 0.00 O ATOM 166 CB LEU A 13 14.609 -0.537 3.770 1.00 0.00 C ATOM 167 CG LEU A 13 15.101 -0.317 2.338 1.00 0.00 C ATOM 168 CD1 LEU A 13 15.632 1.110 2.193 1.00 0.00 C ATOM 169 CD2 LEU A 13 16.223 -1.312 2.029 1.00 0.00 C ATOM 0 H LEU A 13 14.571 1.931 4.118 1.00 0.00 H new ATOM 0 HA LEU A 13 12.669 0.116 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.361 -0.193 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.458 -1.601 3.955 1.00 0.00 H new ATOM 0 HG LEU A 13 14.276 -0.469 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.982 1.266 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.835 1.819 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 13 16.458 1.263 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.576 -1.158 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.048 -1.158 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.846 -2.329 2.132 1.00 0.00 H new ATOM 181 N TYR A 14 13.035 -0.037 6.383 1.00 0.00 N ATOM 182 CA TYR A 14 12.356 -0.560 7.601 1.00 0.00 C ATOM 183 C TYR A 14 10.860 -0.271 7.491 1.00 0.00 C ATOM 184 O TYR A 14 10.031 -1.137 7.683 1.00 0.00 O ATOM 185 CB TYR A 14 12.921 0.129 8.844 1.00 0.00 C ATOM 186 CG TYR A 14 12.275 -0.454 10.079 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.064 -1.837 10.173 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.885 0.386 11.130 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.464 -2.378 11.317 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.284 -0.156 12.275 1.00 0.00 C ATOM 191 CZ TYR A 14 11.075 -1.537 12.368 1.00 0.00 C ATOM 192 OH TYR A 14 10.483 -2.070 13.495 1.00 0.00 O ATOM 0 H TYR A 14 13.850 0.551 6.556 1.00 0.00 H new ATOM 0 HA TYR A 14 12.523 -1.634 7.685 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.002 -0.005 8.888 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.735 1.202 8.795 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.364 -2.485 9.363 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.047 1.451 11.058 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.301 -3.443 11.389 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.982 0.492 13.085 1.00 0.00 H new ATOM 0 HH TYR A 14 10.276 -1.350 14.127 1.00 0.00 H new ATOM 202 N GLN A 15 10.512 0.946 7.173 1.00 0.00 N ATOM 203 CA GLN A 15 9.073 1.297 7.036 1.00 0.00 C ATOM 204 C GLN A 15 8.510 0.609 5.793 1.00 0.00 C ATOM 205 O GLN A 15 7.395 0.128 5.787 1.00 0.00 O ATOM 206 CB GLN A 15 8.930 2.813 6.885 1.00 0.00 C ATOM 207 CG GLN A 15 9.192 3.489 8.232 1.00 0.00 C ATOM 208 CD GLN A 15 8.269 2.889 9.295 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.600 1.897 9.913 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.117 3.453 9.535 1.00 0.00 N ATOM 0 H GLN A 15 11.164 1.712 7.002 1.00 0.00 H new ATOM 0 HA GLN A 15 8.528 0.968 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.633 3.182 6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.929 3.061 6.531 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.234 3.353 8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.021 4.562 8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.839 4.286 9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.495 3.061 10.242 1.00 0.00 H new ATOM 219 N LEU A 16 9.279 0.558 4.741 1.00 0.00 N ATOM 220 CA LEU A 16 8.803 -0.099 3.492 1.00 0.00 C ATOM 221 C LEU A 16 8.705 -1.606 3.719 1.00 0.00 C ATOM 222 O LEU A 16 7.948 -2.297 3.066 1.00 0.00 O ATOM 223 CB LEU A 16 9.794 0.190 2.361 1.00 0.00 C ATOM 224 CG LEU A 16 9.036 0.703 1.138 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.208 2.219 1.029 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.587 0.037 -0.124 1.00 0.00 C ATOM 0 H LEU A 16 10.221 0.945 4.693 1.00 0.00 H new ATOM 0 HA LEU A 16 7.821 0.289 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.526 0.930 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.346 -0.715 2.107 1.00 0.00 H new ATOM 0 HG LEU A 16 7.978 0.463 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.667 2.585 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.813 2.695 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.266 2.459 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.045 0.404 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.646 0.275 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.464 -1.043 -0.049 1.00 0.00 H new ATOM 238 N GLU A 17 9.461 -2.120 4.646 1.00 0.00 N ATOM 239 CA GLU A 17 9.409 -3.581 4.920 1.00 0.00 C ATOM 240 C GLU A 17 8.195 -3.883 5.793 1.00 0.00 C ATOM 241 O GLU A 17 7.754 -5.011 5.895 1.00 0.00 O ATOM 242 CB GLU A 17 10.687 -4.020 5.637 1.00 0.00 C ATOM 243 CG GLU A 17 11.866 -3.953 4.663 1.00 0.00 C ATOM 244 CD GLU A 17 13.166 -4.252 5.413 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.263 -3.867 6.566 1.00 0.00 O ATOM 246 OE2 GLU A 17 14.041 -4.861 4.820 1.00 0.00 O ATOM 0 H GLU A 17 10.113 -1.592 5.226 1.00 0.00 H new ATOM 0 HA GLU A 17 9.327 -4.127 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.874 -3.376 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.573 -5.035 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.726 -4.672 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.917 -2.965 4.205 1.00 0.00 H new ATOM 253 N ASN A 18 7.632 -2.877 6.402 1.00 0.00 N ATOM 254 CA ASN A 18 6.429 -3.098 7.244 1.00 0.00 C ATOM 255 C ASN A 18 5.223 -3.300 6.323 1.00 0.00 C ATOM 256 O ASN A 18 4.111 -3.499 6.771 1.00 0.00 O ATOM 257 CB ASN A 18 6.196 -1.868 8.121 1.00 0.00 C ATOM 258 CG ASN A 18 6.768 -2.117 9.518 1.00 0.00 C ATOM 259 OD1 ASN A 18 7.756 -1.521 9.897 1.00 0.00 O ATOM 260 ND2 ASN A 18 6.183 -2.978 10.305 1.00 0.00 N ATOM 0 H ASN A 18 7.955 -1.911 6.351 1.00 0.00 H new ATOM 0 HA ASN A 18 6.568 -3.974 7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.670 -0.995 7.673 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.129 -1.653 8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.555 -3.151 11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.353 -3.478 9.986 1.00 0.00 H new ATOM 267 N TYR A 19 5.438 -3.234 5.035 1.00 0.00 N ATOM 268 CA TYR A 19 4.319 -3.403 4.076 1.00 0.00 C ATOM 269 C TYR A 19 4.417 -4.778 3.414 1.00 0.00 C ATOM 270 O TYR A 19 3.498 -5.233 2.762 1.00 0.00 O ATOM 271 CB TYR A 19 4.428 -2.303 3.025 1.00 0.00 C ATOM 272 CG TYR A 19 4.170 -0.967 3.686 1.00 0.00 C ATOM 273 CD1 TYR A 19 5.057 -0.492 4.663 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.047 -0.204 3.333 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.823 0.741 5.284 1.00 0.00 C ATOM 276 CE2 TYR A 19 2.815 1.030 3.955 1.00 0.00 C ATOM 277 CZ TYR A 19 3.702 1.502 4.930 1.00 0.00 C ATOM 278 OH TYR A 19 3.471 2.717 5.543 1.00 0.00 O ATOM 0 H TYR A 19 6.350 -3.069 4.608 1.00 0.00 H new ATOM 0 HA TYR A 19 3.360 -3.334 4.589 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.418 -2.313 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.708 -2.473 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.922 -1.078 4.937 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.361 -0.568 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.507 1.105 6.036 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.951 1.618 3.682 1.00 0.00 H new ATOM 0 HH TYR A 19 4.326 3.121 5.801 1.00 0.00 H new ATOM 288 N CYS A 20 5.527 -5.445 3.582 1.00 0.00 N ATOM 289 CA CYS A 20 5.681 -6.792 2.970 1.00 0.00 C ATOM 290 C CYS A 20 4.939 -7.819 3.825 1.00 0.00 C ATOM 291 O CYS A 20 5.210 -7.973 5.000 1.00 0.00 O ATOM 292 CB CYS A 20 7.164 -7.168 2.908 1.00 0.00 C ATOM 293 SG CYS A 20 8.155 -5.721 2.459 1.00 0.00 S ATOM 0 H CYS A 20 6.331 -5.115 4.116 1.00 0.00 H new ATOM 0 HA CYS A 20 5.269 -6.779 1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.489 -7.556 3.873 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.315 -7.963 2.178 1.00 0.00 H new ATOM 298 N ASN A 21 4.004 -8.523 3.250 1.00 0.00 N ATOM 299 CA ASN A 21 3.247 -9.537 4.036 1.00 0.00 C ATOM 300 C ASN A 21 3.706 -10.939 3.635 1.00 0.00 C ATOM 301 O ASN A 21 3.405 -11.344 2.524 1.00 0.00 O ATOM 302 CB ASN A 21 1.752 -9.387 3.754 1.00 0.00 C ATOM 303 CG ASN A 21 1.108 -8.531 4.848 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.675 -7.545 5.275 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.060 -8.869 5.321 1.00 0.00 N ATOM 306 OXT ASN A 21 4.351 -11.585 4.445 1.00 0.00 O ATOM 0 H ASN A 21 3.731 -8.440 2.271 1.00 0.00 H new ATOM 0 HA ASN A 21 3.432 -9.386 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.600 -8.924 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.278 -10.368 3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.498 -8.305 6.050 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.535 -9.697 4.962 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 20.057 0.595 -1.373 1.00 0.00 N ATOM 315 CA PHE B 1 18.973 1.603 -1.543 1.00 0.00 C ATOM 316 C PHE B 1 19.188 2.755 -0.560 1.00 0.00 C ATOM 317 O PHE B 1 19.857 2.611 0.443 1.00 0.00 O ATOM 318 CB PHE B 1 17.618 0.946 -1.270 1.00 0.00 C ATOM 319 CG PHE B 1 16.833 0.854 -2.556 1.00 0.00 C ATOM 320 CD1 PHE B 1 17.420 0.295 -3.699 1.00 0.00 C ATOM 321 CD2 PHE B 1 15.516 1.330 -2.606 1.00 0.00 C ATOM 322 CE1 PHE B 1 16.689 0.211 -4.892 1.00 0.00 C ATOM 323 CE2 PHE B 1 14.785 1.246 -3.799 1.00 0.00 C ATOM 324 CZ PHE B 1 15.373 0.687 -4.942 1.00 0.00 C ATOM 0 H1 PHE B 1 19.676 -0.357 -1.546 1.00 0.00 H new ATOM 0 H2 PHE B 1 20.822 0.790 -2.050 1.00 0.00 H new ATOM 0 H3 PHE B 1 20.431 0.647 -0.404 1.00 0.00 H new ATOM 0 HA PHE B 1 18.992 1.988 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE B 1 17.763 -0.049 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE B 1 17.062 1.527 -0.534 1.00 0.00 H new ATOM 0 HD1 PHE B 1 18.435 -0.071 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE B 1 15.064 1.762 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.141 -0.221 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.770 1.612 -3.837 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.811 0.623 -5.862 1.00 0.00 H new ATOM 336 N VAL B 2 18.621 3.897 -0.840 1.00 0.00 N ATOM 337 CA VAL B 2 18.790 5.059 0.077 1.00 0.00 C ATOM 338 C VAL B 2 17.518 5.908 0.060 1.00 0.00 C ATOM 339 O VAL B 2 16.570 5.606 -0.638 1.00 0.00 O ATOM 340 CB VAL B 2 19.975 5.908 -0.387 1.00 0.00 C ATOM 341 CG1 VAL B 2 21.281 5.252 0.063 1.00 0.00 C ATOM 342 CG2 VAL B 2 19.959 6.013 -1.913 1.00 0.00 C ATOM 0 H VAL B 2 18.048 4.075 -1.665 1.00 0.00 H new ATOM 0 HA VAL B 2 18.976 4.700 1.089 1.00 0.00 H new ATOM 0 HB VAL B 2 19.900 6.904 0.048 1.00 0.00 H new ATOM 0 HG11 VAL B 2 22.125 5.857 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.294 5.175 1.150 1.00 0.00 H new ATOM 0 HG13 VAL B 2 21.356 4.256 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL B 2 20.803 6.618 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL B 2 20.034 5.016 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL B 2 19.029 6.480 -2.236 1.00 0.00 H new ATOM 352 N ASN B 3 17.488 6.968 0.820 1.00 0.00 N ATOM 353 CA ASN B 3 16.274 7.832 0.840 1.00 0.00 C ATOM 354 C ASN B 3 15.790 8.058 -0.592 1.00 0.00 C ATOM 355 O ASN B 3 16.469 8.658 -1.401 1.00 0.00 O ATOM 356 CB ASN B 3 16.613 9.178 1.486 1.00 0.00 C ATOM 357 CG ASN B 3 17.914 9.719 0.890 1.00 0.00 C ATOM 358 OD1 ASN B 3 18.947 9.087 0.980 1.00 0.00 O ATOM 359 ND2 ASN B 3 17.906 10.873 0.279 1.00 0.00 N ATOM 0 H ASN B 3 18.249 7.273 1.427 1.00 0.00 H new ATOM 0 HA ASN B 3 15.489 7.344 1.417 1.00 0.00 H new ATOM 0 HB2 ASN B 3 15.802 9.887 1.320 1.00 0.00 H new ATOM 0 HB3 ASN B 3 16.717 9.060 2.565 1.00 0.00 H new ATOM 0 HD21 ASN B 3 18.767 11.243 -0.123 1.00 0.00 H new ATOM 0 HD22 ASN B 3 17.038 11.404 0.203 1.00 0.00 H new ATOM 366 N GLN B 4 14.624 7.569 -0.914 1.00 0.00 N ATOM 367 CA GLN B 4 14.102 7.741 -2.296 1.00 0.00 C ATOM 368 C GLN B 4 12.580 7.920 -2.263 1.00 0.00 C ATOM 369 O GLN B 4 11.926 7.616 -1.281 1.00 0.00 O ATOM 370 CB GLN B 4 14.460 6.495 -3.105 1.00 0.00 C ATOM 371 CG GLN B 4 13.638 6.450 -4.394 1.00 0.00 C ATOM 372 CD GLN B 4 14.179 5.349 -5.308 1.00 0.00 C ATOM 373 OE1 GLN B 4 14.450 5.584 -6.469 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.350 4.146 -4.830 1.00 0.00 N ATOM 0 H GLN B 4 14.011 7.058 -0.279 1.00 0.00 H new ATOM 0 HA GLN B 4 14.545 8.626 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.524 6.500 -3.343 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.270 5.600 -2.512 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.590 6.262 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.685 7.414 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.123 3.947 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.711 3.405 -5.431 1.00 0.00 H new ATOM 383 N HIS B 5 12.015 8.410 -3.336 1.00 0.00 N ATOM 384 CA HIS B 5 10.542 8.612 -3.385 1.00 0.00 C ATOM 385 C HIS B 5 9.903 7.495 -4.214 1.00 0.00 C ATOM 386 O HIS B 5 10.455 7.044 -5.198 1.00 0.00 O ATOM 387 CB HIS B 5 10.228 9.958 -4.044 1.00 0.00 C ATOM 388 CG HIS B 5 11.151 11.021 -3.513 1.00 0.00 C ATOM 389 ND1 HIS B 5 12.521 10.874 -3.558 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.888 12.236 -2.945 1.00 0.00 C ATOM 391 CE1 HIS B 5 13.044 11.988 -3.026 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.083 12.851 -2.636 1.00 0.00 N ATOM 0 H HIS B 5 12.516 8.679 -4.183 1.00 0.00 H new ATOM 0 HA HIS B 5 10.145 8.597 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.338 9.877 -5.125 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.192 10.234 -3.849 1.00 0.00 H new ATOM 0 HD2 HIS B 5 9.905 12.647 -2.767 1.00 0.00 H new ATOM 0 HE1 HIS B 5 14.103 12.172 -2.922 1.00 0.00 H new ATOM 0 HE2 HIS B 5 12.213 13.766 -2.204 1.00 0.00 H new ATOM 400 N LEU B 6 8.742 7.053 -3.825 1.00 0.00 N ATOM 401 CA LEU B 6 8.054 5.971 -4.585 1.00 0.00 C ATOM 402 C LEU B 6 6.577 6.339 -4.754 1.00 0.00 C ATOM 403 O LEU B 6 6.145 7.397 -4.343 1.00 0.00 O ATOM 404 CB LEU B 6 8.181 4.655 -3.816 1.00 0.00 C ATOM 405 CG LEU B 6 9.622 4.501 -3.323 1.00 0.00 C ATOM 406 CD1 LEU B 6 9.738 3.253 -2.446 1.00 0.00 C ATOM 407 CD2 LEU B 6 10.558 4.365 -4.524 1.00 0.00 C ATOM 0 H LEU B 6 8.236 7.396 -3.009 1.00 0.00 H new ATOM 0 HA LEU B 6 8.511 5.856 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU B 6 7.491 4.645 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.911 3.817 -4.458 1.00 0.00 H new ATOM 0 HG LEU B 6 9.899 5.379 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU B 6 10.765 3.147 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU B 6 9.072 3.348 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU B 6 9.460 2.373 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU B 6 11.585 4.255 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.277 3.488 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.480 5.255 -5.148 1.00 0.00 H new ATOM 419 N CYS B 7 5.796 5.482 -5.355 1.00 0.00 N ATOM 420 CA CYS B 7 4.350 5.800 -5.542 1.00 0.00 C ATOM 421 C CYS B 7 3.622 4.592 -6.114 1.00 0.00 C ATOM 422 O CYS B 7 3.982 4.086 -7.153 1.00 0.00 O ATOM 423 CB CYS B 7 4.195 6.956 -6.528 1.00 0.00 C ATOM 424 SG CYS B 7 2.645 7.832 -6.187 1.00 0.00 S ATOM 0 H CYS B 7 6.095 4.579 -5.723 1.00 0.00 H new ATOM 0 HA CYS B 7 3.929 6.070 -4.573 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.039 7.640 -6.440 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.195 6.579 -7.551 1.00 0.00 H new ATOM 429 N GLY B 8 2.586 4.151 -5.453 1.00 0.00 N ATOM 430 CA GLY B 8 1.799 2.990 -5.954 1.00 0.00 C ATOM 431 C GLY B 8 2.714 1.938 -6.583 1.00 0.00 C ATOM 432 O GLY B 8 3.144 1.010 -5.932 1.00 0.00 O ATOM 0 H GLY B 8 2.249 4.551 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.238 2.545 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.070 3.330 -6.690 1.00 0.00 H new ATOM 436 N SER B 9 3.009 2.075 -7.847 1.00 0.00 N ATOM 437 CA SER B 9 3.888 1.078 -8.522 1.00 0.00 C ATOM 438 C SER B 9 5.286 1.133 -7.913 1.00 0.00 C ATOM 439 O SER B 9 5.763 0.167 -7.356 1.00 0.00 O ATOM 440 CB SER B 9 3.968 1.392 -10.015 1.00 0.00 C ATOM 441 OG SER B 9 4.344 0.218 -10.723 1.00 0.00 O ATOM 0 H SER B 9 2.679 2.835 -8.442 1.00 0.00 H new ATOM 0 HA SER B 9 3.472 0.080 -8.385 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.005 1.754 -10.374 1.00 0.00 H new ATOM 0 HB3 SER B 9 4.693 2.186 -10.193 1.00 0.00 H new ATOM 0 HG SER B 9 4.394 0.416 -11.681 1.00 0.00 H new ATOM 447 N ASP B 10 5.947 2.255 -8.000 1.00 0.00 N ATOM 448 CA ASP B 10 7.310 2.347 -7.405 1.00 0.00 C ATOM 449 C ASP B 10 7.246 1.760 -5.999 1.00 0.00 C ATOM 450 O ASP B 10 8.199 1.192 -5.504 1.00 0.00 O ATOM 451 CB ASP B 10 7.751 3.809 -7.342 1.00 0.00 C ATOM 452 CG ASP B 10 8.673 4.114 -8.524 1.00 0.00 C ATOM 453 OD1 ASP B 10 8.175 4.181 -9.636 1.00 0.00 O ATOM 454 OD2 ASP B 10 9.861 4.275 -8.298 1.00 0.00 O ATOM 0 H ASP B 10 5.607 3.104 -8.452 1.00 0.00 H new ATOM 0 HA ASP B 10 8.030 1.798 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP B 10 6.880 4.464 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.269 4.004 -6.403 1.00 0.00 H new ATOM 459 N LEU B 11 6.110 1.868 -5.364 1.00 0.00 N ATOM 460 CA LEU B 11 5.960 1.290 -4.005 1.00 0.00 C ATOM 461 C LEU B 11 5.907 -0.228 -4.144 1.00 0.00 C ATOM 462 O LEU B 11 6.670 -0.945 -3.528 1.00 0.00 O ATOM 463 CB LEU B 11 4.672 1.806 -3.365 1.00 0.00 C ATOM 464 CG LEU B 11 4.980 3.075 -2.568 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.673 3.761 -2.172 1.00 0.00 C ATOM 466 CD2 LEU B 11 5.764 2.705 -1.308 1.00 0.00 C ATOM 0 H LEU B 11 5.280 2.333 -5.732 1.00 0.00 H new ATOM 0 HA LEU B 11 6.798 1.579 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.929 2.017 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.247 1.045 -2.710 1.00 0.00 H new ATOM 0 HG LEU B 11 5.573 3.754 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.894 4.665 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.114 4.024 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.078 3.084 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.985 3.608 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.170 2.026 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.697 2.217 -1.590 1.00 0.00 H new ATOM 478 N VAL B 12 5.035 -0.725 -4.982 1.00 0.00 N ATOM 479 CA VAL B 12 4.967 -2.192 -5.193 1.00 0.00 C ATOM 480 C VAL B 12 6.275 -2.623 -5.862 1.00 0.00 C ATOM 481 O VAL B 12 6.627 -3.786 -5.890 1.00 0.00 O ATOM 482 CB VAL B 12 3.758 -2.540 -6.089 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.657 -1.498 -5.915 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.165 -2.591 -7.567 1.00 0.00 C ATOM 0 H VAL B 12 4.370 -0.175 -5.526 1.00 0.00 H new ATOM 0 HA VAL B 12 4.840 -2.714 -4.245 1.00 0.00 H new ATOM 0 HB VAL B 12 3.392 -3.521 -5.787 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.810 -1.754 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.336 -1.479 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.038 -0.516 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.295 -2.838 -8.176 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.556 -1.620 -7.870 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.933 -3.351 -7.707 1.00 0.00 H new ATOM 494 N GLU B 13 6.994 -1.673 -6.398 1.00 0.00 N ATOM 495 CA GLU B 13 8.279 -1.976 -7.070 1.00 0.00 C ATOM 496 C GLU B 13 9.384 -1.963 -6.017 1.00 0.00 C ATOM 497 O GLU B 13 10.104 -2.927 -5.848 1.00 0.00 O ATOM 498 CB GLU B 13 8.533 -0.904 -8.128 1.00 0.00 C ATOM 499 CG GLU B 13 8.227 -1.475 -9.512 1.00 0.00 C ATOM 500 CD GLU B 13 8.599 -0.448 -10.583 1.00 0.00 C ATOM 501 OE1 GLU B 13 9.721 0.029 -10.555 1.00 0.00 O ATOM 502 OE2 GLU B 13 7.754 -0.154 -11.413 1.00 0.00 O ATOM 0 H GLU B 13 6.736 -0.686 -6.395 1.00 0.00 H new ATOM 0 HA GLU B 13 8.255 -2.954 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.908 -0.032 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.569 -0.570 -8.081 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.786 -2.397 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.169 -1.727 -9.587 1.00 0.00 H new ATOM 509 N ALA B 14 9.502 -0.893 -5.276 1.00 0.00 N ATOM 510 CA ALA B 14 10.534 -0.857 -4.208 1.00 0.00 C ATOM 511 C ALA B 14 10.193 -1.969 -3.222 1.00 0.00 C ATOM 512 O ALA B 14 11.040 -2.731 -2.801 1.00 0.00 O ATOM 513 CB ALA B 14 10.502 0.499 -3.499 1.00 0.00 C ATOM 0 H ALA B 14 8.933 -0.051 -5.365 1.00 0.00 H new ATOM 0 HA ALA B 14 11.532 -0.998 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.261 0.519 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.703 1.291 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.519 0.654 -3.054 1.00 0.00 H new ATOM 519 N LEU B 15 8.934 -2.091 -2.888 1.00 0.00 N ATOM 520 CA LEU B 15 8.502 -3.173 -1.976 1.00 0.00 C ATOM 521 C LEU B 15 8.865 -4.494 -2.643 1.00 0.00 C ATOM 522 O LEU B 15 9.374 -5.409 -2.030 1.00 0.00 O ATOM 523 CB LEU B 15 6.987 -3.090 -1.808 1.00 0.00 C ATOM 524 CG LEU B 15 6.634 -1.973 -0.829 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.284 -1.366 -1.213 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.546 -2.546 0.583 1.00 0.00 C ATOM 0 H LEU B 15 8.187 -1.479 -3.215 1.00 0.00 H new ATOM 0 HA LEU B 15 8.980 -3.089 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.515 -2.903 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.600 -4.041 -1.443 1.00 0.00 H new ATOM 0 HG LEU B 15 7.404 -1.202 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU B 15 5.032 -0.568 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.342 -0.959 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.515 -2.137 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU B 15 6.294 -1.750 1.284 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.775 -3.316 0.616 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.506 -2.982 0.859 1.00 0.00 H new ATOM 538 N TYR B 16 8.612 -4.571 -3.916 1.00 0.00 N ATOM 539 CA TYR B 16 8.936 -5.794 -4.696 1.00 0.00 C ATOM 540 C TYR B 16 10.342 -6.272 -4.345 1.00 0.00 C ATOM 541 O TYR B 16 10.579 -7.436 -4.097 1.00 0.00 O ATOM 542 CB TYR B 16 8.918 -5.425 -6.175 1.00 0.00 C ATOM 543 CG TYR B 16 7.914 -6.275 -6.911 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.923 -7.665 -6.751 1.00 0.00 C ATOM 545 CD2 TYR B 16 6.973 -5.672 -7.757 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.991 -8.456 -7.435 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.040 -6.462 -8.442 1.00 0.00 C ATOM 548 CZ TYR B 16 6.049 -7.855 -8.281 1.00 0.00 C ATOM 549 OH TYR B 16 5.130 -8.633 -8.954 1.00 0.00 O ATOM 0 H TYR B 16 8.185 -3.822 -4.461 1.00 0.00 H new ATOM 0 HA TYR B 16 8.214 -6.579 -4.471 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.668 -4.371 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.910 -5.566 -6.605 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.649 -8.128 -6.100 1.00 0.00 H new ATOM 0 HD2 TYR B 16 6.967 -4.599 -7.881 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.998 -9.529 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.314 -5.998 -9.094 1.00 0.00 H new ATOM 0 HH TYR B 16 4.550 -8.059 -9.496 1.00 0.00 H new ATOM 559 N LEU B 17 11.280 -5.372 -4.357 1.00 0.00 N ATOM 560 CA LEU B 17 12.689 -5.738 -4.061 1.00 0.00 C ATOM 561 C LEU B 17 12.862 -6.046 -2.570 1.00 0.00 C ATOM 562 O LEU B 17 13.346 -7.096 -2.195 1.00 0.00 O ATOM 563 CB LEU B 17 13.580 -4.556 -4.444 1.00 0.00 C ATOM 564 CG LEU B 17 14.954 -5.051 -4.905 1.00 0.00 C ATOM 565 CD1 LEU B 17 15.428 -6.198 -4.009 1.00 0.00 C ATOM 566 CD2 LEU B 17 14.850 -5.540 -6.351 1.00 0.00 C ATOM 0 H LEU B 17 11.128 -4.384 -4.562 1.00 0.00 H new ATOM 0 HA LEU B 17 12.964 -6.627 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.108 -3.980 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.695 -3.887 -3.591 1.00 0.00 H new ATOM 0 HG LEU B 17 15.672 -4.234 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU B 17 16.406 -6.542 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU B 17 15.501 -5.849 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.715 -7.021 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU B 17 15.825 -5.894 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU B 17 14.128 -6.355 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU B 17 14.523 -4.720 -6.990 1.00 0.00 H new ATOM 578 N VAL B 18 12.487 -5.133 -1.718 1.00 0.00 N ATOM 579 CA VAL B 18 12.651 -5.368 -0.248 1.00 0.00 C ATOM 580 C VAL B 18 11.757 -6.522 0.211 1.00 0.00 C ATOM 581 O VAL B 18 12.116 -7.289 1.083 1.00 0.00 O ATOM 582 CB VAL B 18 12.275 -4.104 0.530 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.491 -3.181 0.624 1.00 0.00 C ATOM 584 CG2 VAL B 18 11.136 -3.374 -0.183 1.00 0.00 C ATOM 0 H VAL B 18 12.075 -4.235 -1.971 1.00 0.00 H new ATOM 0 HA VAL B 18 13.694 -5.621 -0.055 1.00 0.00 H new ATOM 0 HB VAL B 18 11.950 -4.384 1.532 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.223 -2.281 1.178 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.301 -3.697 1.140 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.817 -2.906 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.873 -2.476 0.376 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.454 -3.096 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.267 -4.029 -0.246 1.00 0.00 H new ATOM 594 N CYS B 19 10.600 -6.654 -0.367 1.00 0.00 N ATOM 595 CA CYS B 19 9.686 -7.760 0.033 1.00 0.00 C ATOM 596 C CYS B 19 9.959 -8.958 -0.868 1.00 0.00 C ATOM 597 O CYS B 19 10.142 -10.071 -0.415 1.00 0.00 O ATOM 598 CB CYS B 19 8.234 -7.310 -0.147 1.00 0.00 C ATOM 599 SG CYS B 19 8.044 -5.607 0.443 1.00 0.00 S ATOM 0 H CYS B 19 10.245 -6.043 -1.102 1.00 0.00 H new ATOM 0 HA CYS B 19 9.852 -8.027 1.077 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.951 -7.375 -1.198 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.567 -7.973 0.404 1.00 0.00 H new ATOM 604 N GLY B 20 10.001 -8.728 -2.147 1.00 0.00 N ATOM 605 CA GLY B 20 10.275 -9.831 -3.101 1.00 0.00 C ATOM 606 C GLY B 20 9.456 -11.066 -2.722 1.00 0.00 C ATOM 607 O GLY B 20 8.244 -11.019 -2.641 1.00 0.00 O ATOM 0 H GLY B 20 9.856 -7.814 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY B 20 10.026 -9.516 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.338 -10.073 -3.094 1.00 0.00 H new ATOM 611 N GLU B 21 10.109 -12.173 -2.491 1.00 0.00 N ATOM 612 CA GLU B 21 9.371 -13.414 -2.121 1.00 0.00 C ATOM 613 C GLU B 21 8.518 -13.157 -0.877 1.00 0.00 C ATOM 614 O GLU B 21 7.614 -13.907 -0.566 1.00 0.00 O ATOM 615 CB GLU B 21 10.372 -14.534 -1.828 1.00 0.00 C ATOM 616 CG GLU B 21 9.979 -15.790 -2.610 1.00 0.00 C ATOM 617 CD GLU B 21 10.886 -15.933 -3.834 1.00 0.00 C ATOM 618 OE1 GLU B 21 11.720 -15.065 -4.035 1.00 0.00 O ATOM 619 OE2 GLU B 21 10.732 -16.910 -4.551 1.00 0.00 O ATOM 0 H GLU B 21 11.123 -12.271 -2.543 1.00 0.00 H new ATOM 0 HA GLU B 21 8.724 -13.708 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.378 -14.219 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.390 -14.749 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU B 21 10.068 -16.670 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU B 21 8.937 -15.726 -2.922 1.00 0.00 H new ATOM 626 N ARG B 22 8.797 -12.103 -0.161 1.00 0.00 N ATOM 627 CA ARG B 22 8.000 -11.803 1.062 1.00 0.00 C ATOM 628 C ARG B 22 6.540 -11.569 0.673 1.00 0.00 C ATOM 629 O ARG B 22 5.657 -11.570 1.507 1.00 0.00 O ATOM 630 CB ARG B 22 8.553 -10.549 1.742 1.00 0.00 C ATOM 631 CG ARG B 22 9.923 -10.857 2.347 1.00 0.00 C ATOM 632 CD ARG B 22 9.794 -12.014 3.339 1.00 0.00 C ATOM 633 NE ARG B 22 10.804 -11.855 4.422 1.00 0.00 N ATOM 634 CZ ARG B 22 10.994 -12.818 5.283 1.00 0.00 C ATOM 635 NH1 ARG B 22 10.108 -13.047 6.212 1.00 0.00 N ATOM 636 NH2 ARG B 22 12.070 -13.553 5.212 1.00 0.00 N ATOM 0 H ARG B 22 9.541 -11.437 -0.369 1.00 0.00 H new ATOM 0 HA ARG B 22 8.064 -12.645 1.751 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.637 -9.738 1.019 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.868 -10.212 2.520 1.00 0.00 H new ATOM 0 HG2 ARG B 22 10.630 -11.117 1.559 1.00 0.00 H new ATOM 0 HG3 ARG B 22 10.317 -9.974 2.851 1.00 0.00 H new ATOM 0 HD2 ARG B 22 8.790 -12.033 3.763 1.00 0.00 H new ATOM 0 HD3 ARG B 22 9.941 -12.965 2.826 1.00 0.00 H new ATOM 0 HE ARG B 22 11.347 -10.994 4.491 1.00 0.00 H new ATOM 0 HH11 ARG B 22 9.266 -12.474 6.266 1.00 0.00 H new ATOM 0 HH12 ARG B 22 10.257 -13.799 6.884 1.00 0.00 H new ATOM 0 HH21 ARG B 22 12.762 -13.375 4.484 1.00 0.00 H new ATOM 0 HH22 ARG B 22 12.219 -14.305 5.884 1.00 0.00 H new ATOM 650 N GLY B 23 6.280 -11.368 -0.589 1.00 0.00 N ATOM 651 CA GLY B 23 4.877 -11.134 -1.032 1.00 0.00 C ATOM 652 C GLY B 23 4.342 -9.856 -0.383 1.00 0.00 C ATOM 653 O GLY B 23 3.693 -9.893 0.644 1.00 0.00 O ATOM 0 H GLY B 23 6.978 -11.356 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.837 -11.047 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.251 -11.983 -0.757 1.00 0.00 H new ATOM 657 N PHE B 24 4.609 -8.726 -0.976 1.00 0.00 N ATOM 658 CA PHE B 24 4.117 -7.444 -0.396 1.00 0.00 C ATOM 659 C PHE B 24 2.686 -7.189 -0.875 1.00 0.00 C ATOM 660 O PHE B 24 2.208 -7.828 -1.791 1.00 0.00 O ATOM 661 CB PHE B 24 5.024 -6.303 -0.856 1.00 0.00 C ATOM 662 CG PHE B 24 4.810 -6.052 -2.328 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.688 -5.335 -2.757 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.731 -6.541 -3.265 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.483 -5.106 -4.124 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.526 -6.312 -4.632 1.00 0.00 C ATOM 667 CZ PHE B 24 4.402 -5.594 -5.062 1.00 0.00 C ATOM 0 H PHE B 24 5.147 -8.634 -1.838 1.00 0.00 H new ATOM 0 HA PHE B 24 4.130 -7.502 0.692 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.806 -5.399 -0.287 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.068 -6.555 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE B 24 2.980 -4.958 -2.034 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.598 -7.094 -2.933 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.616 -4.553 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.235 -6.689 -5.355 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.244 -5.417 -6.116 1.00 0.00 H new ATOM 677 N PHE B 25 1.994 -6.267 -0.263 1.00 0.00 N ATOM 678 CA PHE B 25 0.594 -5.989 -0.694 1.00 0.00 C ATOM 679 C PHE B 25 0.341 -4.479 -0.719 1.00 0.00 C ATOM 680 O PHE B 25 -0.256 -3.925 0.182 1.00 0.00 O ATOM 681 CB PHE B 25 -0.381 -6.655 0.281 1.00 0.00 C ATOM 682 CG PHE B 25 -0.238 -6.030 1.649 1.00 0.00 C ATOM 683 CD1 PHE B 25 0.951 -6.191 2.372 1.00 0.00 C ATOM 684 CD2 PHE B 25 -1.295 -5.288 2.193 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.083 -5.611 3.641 1.00 0.00 C ATOM 686 CE2 PHE B 25 -1.163 -4.708 3.462 1.00 0.00 C ATOM 687 CZ PHE B 25 0.025 -4.868 4.186 1.00 0.00 C ATOM 0 H PHE B 25 2.334 -5.697 0.512 1.00 0.00 H new ATOM 0 HA PHE B 25 0.443 -6.391 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.404 -6.540 -0.077 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.181 -7.725 0.337 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.766 -6.762 1.952 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -2.211 -5.163 1.635 1.00 0.00 H new ATOM 0 HE1 PHE B 25 1.999 -5.736 4.199 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.978 -4.137 3.882 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.127 -4.420 5.163 1.00 0.00 H new ATOM 697 N TYR B 26 0.780 -3.808 -1.750 1.00 0.00 N ATOM 698 CA TYR B 26 0.551 -2.338 -1.829 1.00 0.00 C ATOM 699 C TYR B 26 -0.928 -2.052 -1.553 1.00 0.00 C ATOM 700 O TYR B 26 -1.797 -2.804 -1.945 1.00 0.00 O ATOM 701 CB TYR B 26 0.926 -1.835 -3.229 1.00 0.00 C ATOM 702 CG TYR B 26 0.351 -0.454 -3.446 1.00 0.00 C ATOM 703 CD1 TYR B 26 0.620 0.569 -2.528 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.451 -0.196 -4.566 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.086 1.850 -2.728 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.985 1.084 -4.767 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.716 2.107 -3.848 1.00 0.00 C ATOM 708 OH TYR B 26 -1.242 3.368 -4.045 1.00 0.00 O ATOM 0 H TYR B 26 1.285 -4.213 -2.538 1.00 0.00 H new ATOM 0 HA TYR B 26 1.168 -1.825 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.010 -1.809 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.546 -2.521 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.239 0.371 -1.666 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.658 -0.984 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.293 2.638 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.604 1.282 -5.630 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.344 3.533 -5.006 1.00 0.00 H new ATOM 718 N THR B 27 -1.221 -0.974 -0.879 1.00 0.00 N ATOM 719 CA THR B 27 -2.644 -0.650 -0.579 1.00 0.00 C ATOM 720 C THR B 27 -3.293 -0.013 -1.809 1.00 0.00 C ATOM 721 O THR B 27 -2.620 0.481 -2.692 1.00 0.00 O ATOM 722 CB THR B 27 -2.709 0.328 0.597 1.00 0.00 C ATOM 723 OG1 THR B 27 -2.366 1.631 0.145 1.00 0.00 O ATOM 724 CG2 THR B 27 -1.729 -0.114 1.684 1.00 0.00 C ATOM 0 H THR B 27 -0.538 -0.305 -0.524 1.00 0.00 H new ATOM 0 HA THR B 27 -3.177 -1.565 -0.320 1.00 0.00 H new ATOM 0 HB THR B 27 -3.719 0.340 1.007 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.409 2.259 0.896 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.776 0.583 2.521 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.994 -1.114 2.029 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.717 -0.127 1.278 1.00 0.00 H new ATOM 732 N LYS B 28 -4.596 -0.021 -1.876 1.00 0.00 N ATOM 733 CA LYS B 28 -5.284 0.583 -3.050 1.00 0.00 C ATOM 734 C LYS B 28 -4.962 2.079 -3.115 1.00 0.00 C ATOM 735 O LYS B 28 -4.777 2.717 -2.098 1.00 0.00 O ATOM 736 CB LYS B 28 -6.796 0.393 -2.911 1.00 0.00 C ATOM 737 CG LYS B 28 -7.290 -0.573 -3.990 1.00 0.00 C ATOM 738 CD LYS B 28 -8.805 -0.743 -3.870 1.00 0.00 C ATOM 739 CE LYS B 28 -9.337 -1.471 -5.106 1.00 0.00 C ATOM 740 NZ LYS B 28 -10.800 -1.712 -4.949 1.00 0.00 N ATOM 0 H LYS B 28 -5.213 -0.420 -1.168 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.940 0.096 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.035 0.003 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.304 1.353 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.034 -0.192 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.796 -1.538 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.048 -1.308 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.284 0.231 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.149 -0.877 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.813 -2.418 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.162 -2.207 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.967 -2.295 -4.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.292 -0.802 -4.844 1.00 0.00 H new ATOM 754 N PRO B 29 -4.904 2.593 -4.317 1.00 0.00 N ATOM 755 CA PRO B 29 -4.606 4.016 -4.561 1.00 0.00 C ATOM 756 C PRO B 29 -5.842 4.876 -4.280 1.00 0.00 C ATOM 757 O PRO B 29 -6.402 5.484 -5.172 1.00 0.00 O ATOM 758 CB PRO B 29 -4.236 4.056 -6.046 1.00 0.00 C ATOM 759 CG PRO B 29 -4.876 2.804 -6.690 1.00 0.00 C ATOM 760 CD PRO B 29 -5.131 1.804 -5.547 1.00 0.00 C ATOM 0 HA PRO B 29 -3.815 4.405 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -4.608 4.967 -6.515 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -3.154 4.050 -6.177 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -5.807 3.061 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -4.214 2.373 -7.441 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -6.146 1.407 -5.584 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -4.453 0.952 -5.604 1.00 0.00 H new ATOM 768 N THR B 30 -6.271 4.933 -3.049 1.00 0.00 N ATOM 769 CA THR B 30 -7.468 5.755 -2.715 1.00 0.00 C ATOM 770 C THR B 30 -7.054 7.219 -2.553 1.00 0.00 C ATOM 771 O THR B 30 -5.873 7.498 -2.687 1.00 0.00 O ATOM 772 CB THR B 30 -8.087 5.253 -1.407 1.00 0.00 C ATOM 773 OG1 THR B 30 -7.244 5.607 -0.320 1.00 0.00 O ATOM 774 CG2 THR B 30 -8.242 3.733 -1.463 1.00 0.00 C ATOM 775 OXT THR B 30 -7.923 8.037 -2.297 1.00 0.00 O ATOM 0 H THR B 30 -5.845 4.446 -2.261 1.00 0.00 H new ATOM 0 HA THR B 30 -8.200 5.670 -3.519 1.00 0.00 H new ATOM 0 HB THR B 30 -9.067 5.709 -1.270 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.639 5.288 0.518 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.683 3.378 -0.531 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.890 3.464 -2.297 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.264 3.272 -1.601 1.00 0.00 H new TER 783 THR B 30