USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: B 12 ABA HN2 : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD NoAdj-H: B 12 ABA H : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= 0.386 K(o=-0.59,f=-5.3) USER MOD Set 1.2: A 12 SER OG : rot 177:sc= -1.37 USER MOD Set 1.3: A 15 GLN : amide:sc= 0.392 K(o=-0.59,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.409 K(o=-0.41,f=1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 161:sc= 1.09 (180deg=0.586) USER MOD Single : B 3 ASN : amide:sc= -2.16! C(o=-2.2!,f=-2.8!) USER MOD Single : B 4 GLN : amide:sc= -0.153 K(o=-0.15,f=-3.8!) USER MOD Single : B 5 HIS : no HD1:sc= -0.775 K(o=-0.77,f=-2.3) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0579 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= 0.00843 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.920 7.241 1.332 1.00 0.00 N ATOM 2 CA GLY A 1 -7.219 6.493 0.199 1.00 0.00 C ATOM 3 C GLY A 1 -5.737 6.355 0.220 1.00 0.00 C ATOM 4 O GLY A 1 -5.050 7.025 0.965 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.946 7.244 1.163 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.720 6.768 2.236 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.572 8.220 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.640 5.488 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.488 6.987 -0.735 1.00 0.00 H new ATOM 10 N ILE A 2 -5.204 5.494 -0.601 1.00 0.00 N ATOM 11 CA ILE A 2 -3.721 5.319 -0.633 1.00 0.00 C ATOM 12 C ILE A 2 -3.158 6.050 -1.855 1.00 0.00 C ATOM 13 O ILE A 2 -1.987 6.367 -1.920 1.00 0.00 O ATOM 14 CB ILE A 2 -3.361 3.824 -0.697 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.950 3.628 -0.134 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.401 3.319 -2.148 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.885 2.312 0.641 1.00 0.00 C ATOM 0 H ILE A 2 -5.726 4.905 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.287 5.737 0.275 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.086 3.260 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.222 3.620 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.690 4.460 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.144 2.260 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.403 3.458 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.685 3.880 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.880 2.174 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.602 2.337 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.126 1.485 -0.026 1.00 0.00 H new ATOM 29 N VAL A 3 -3.989 6.318 -2.823 1.00 0.00 N ATOM 30 CA VAL A 3 -3.509 7.030 -4.042 1.00 0.00 C ATOM 31 C VAL A 3 -3.243 8.495 -3.704 1.00 0.00 C ATOM 32 O VAL A 3 -2.752 9.254 -4.517 1.00 0.00 O ATOM 33 CB VAL A 3 -4.571 6.947 -5.138 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.888 6.973 -6.500 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.367 5.648 -4.998 1.00 0.00 C ATOM 0 H VAL A 3 -4.980 6.075 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.589 6.563 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.250 7.795 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.641 6.914 -7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.324 7.900 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.210 6.124 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.122 5.597 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.692 4.796 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.855 5.624 -4.024 1.00 0.00 H new ATOM 45 N GLU A 4 -3.568 8.899 -2.513 1.00 0.00 N ATOM 46 CA GLU A 4 -3.339 10.316 -2.116 1.00 0.00 C ATOM 47 C GLU A 4 -1.954 10.459 -1.479 1.00 0.00 C ATOM 48 O GLU A 4 -1.322 11.492 -1.575 1.00 0.00 O ATOM 49 CB GLU A 4 -4.412 10.740 -1.108 1.00 0.00 C ATOM 50 CG GLU A 4 -4.138 12.169 -0.636 1.00 0.00 C ATOM 51 CD GLU A 4 -5.443 12.806 -0.153 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.089 12.214 0.698 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.775 13.872 -0.641 1.00 0.00 O ATOM 0 H GLU A 4 -3.984 8.309 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.394 10.952 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.399 10.681 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.414 10.059 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.404 12.163 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.713 12.757 -1.450 1.00 0.00 H new ATOM 60 N GLN A 5 -1.481 9.435 -0.822 1.00 0.00 N ATOM 61 CA GLN A 5 -0.141 9.522 -0.176 1.00 0.00 C ATOM 62 C GLN A 5 0.883 8.713 -0.978 1.00 0.00 C ATOM 63 O GLN A 5 2.048 8.664 -0.638 1.00 0.00 O ATOM 64 CB GLN A 5 -0.230 8.958 1.243 1.00 0.00 C ATOM 65 CG GLN A 5 0.700 9.742 2.171 1.00 0.00 C ATOM 66 CD GLN A 5 0.206 9.614 3.614 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.549 8.675 4.304 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.591 10.524 4.103 1.00 0.00 N ATOM 0 H GLN A 5 -1.963 8.544 -0.705 1.00 0.00 H new ATOM 0 HA GLN A 5 0.174 10.565 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.256 9.019 1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.046 7.903 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.718 9.362 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.726 10.791 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.880 11.313 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.925 10.446 5.064 1.00 0.00 H new ATOM 77 N CYS A 6 0.464 8.071 -2.035 1.00 0.00 N ATOM 78 CA CYS A 6 1.425 7.265 -2.840 1.00 0.00 C ATOM 79 C CYS A 6 1.750 7.987 -4.146 1.00 0.00 C ATOM 80 O CYS A 6 2.857 7.927 -4.634 1.00 0.00 O ATOM 81 CB CYS A 6 0.810 5.910 -3.161 1.00 0.00 C ATOM 82 SG CYS A 6 1.085 4.780 -1.779 1.00 0.00 S ATOM 0 H CYS A 6 -0.498 8.070 -2.374 1.00 0.00 H new ATOM 0 HA CYS A 6 2.341 7.130 -2.264 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.258 6.019 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.253 5.504 -4.070 1.00 0.00 H new ATOM 87 N CYS A 7 0.800 8.667 -4.719 1.00 0.00 N ATOM 88 CA CYS A 7 1.081 9.388 -5.989 1.00 0.00 C ATOM 89 C CYS A 7 1.487 10.822 -5.654 1.00 0.00 C ATOM 90 O CYS A 7 2.405 11.372 -6.228 1.00 0.00 O ATOM 91 CB CYS A 7 -0.168 9.401 -6.870 1.00 0.00 C ATOM 92 SG CYS A 7 0.328 9.614 -8.597 1.00 0.00 S ATOM 0 H CYS A 7 -0.153 8.755 -4.366 1.00 0.00 H new ATOM 0 HA CYS A 7 1.884 8.886 -6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.722 8.470 -6.750 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.833 10.210 -6.567 1.00 0.00 H new ATOM 97 N THR A 8 0.811 11.422 -4.713 1.00 0.00 N ATOM 98 CA THR A 8 1.155 12.813 -4.315 1.00 0.00 C ATOM 99 C THR A 8 2.278 12.762 -3.277 1.00 0.00 C ATOM 100 O THR A 8 2.989 13.724 -3.065 1.00 0.00 O ATOM 101 CB THR A 8 -0.082 13.486 -3.707 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.989 13.832 -4.744 1.00 0.00 O ATOM 103 CG2 THR A 8 0.336 14.749 -2.950 1.00 0.00 C ATOM 0 H THR A 8 0.033 11.006 -4.202 1.00 0.00 H new ATOM 0 HA THR A 8 1.482 13.384 -5.184 1.00 0.00 H new ATOM 0 HB THR A 8 -0.565 12.796 -3.015 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.781 14.261 -4.357 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.546 15.224 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.030 14.482 -2.153 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.822 15.441 -3.638 1.00 0.00 H new ATOM 111 N SER A 9 2.440 11.639 -2.629 1.00 0.00 N ATOM 112 CA SER A 9 3.515 11.514 -1.605 1.00 0.00 C ATOM 113 C SER A 9 4.117 10.107 -1.672 1.00 0.00 C ATOM 114 O SER A 9 3.852 9.351 -2.587 1.00 0.00 O ATOM 115 CB SER A 9 2.922 11.751 -0.215 1.00 0.00 C ATOM 116 OG SER A 9 2.262 13.008 -0.195 1.00 0.00 O ATOM 0 H SER A 9 1.873 10.802 -2.766 1.00 0.00 H new ATOM 0 HA SER A 9 4.293 12.252 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.220 10.955 0.034 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.710 11.729 0.538 1.00 0.00 H new ATOM 0 HG SER A 9 1.879 13.162 0.694 1.00 0.00 H new ATOM 122 N ILE A 10 4.925 9.749 -0.713 1.00 0.00 N ATOM 123 CA ILE A 10 5.544 8.393 -0.722 1.00 0.00 C ATOM 124 C ILE A 10 4.770 7.470 0.224 1.00 0.00 C ATOM 125 O ILE A 10 4.072 7.923 1.110 1.00 0.00 O ATOM 126 CB ILE A 10 6.995 8.498 -0.253 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.795 9.352 -1.243 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.606 7.098 -0.170 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.072 8.546 -2.513 1.00 0.00 C ATOM 0 H ILE A 10 5.184 10.338 0.078 1.00 0.00 H new ATOM 0 HA ILE A 10 5.513 7.985 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 10 7.026 8.965 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.239 10.257 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.734 9.668 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.641 7.172 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.038 6.495 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.575 6.629 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.641 9.156 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.645 7.654 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.127 8.252 -2.971 1.00 0.00 H new ATOM 141 N CYS A 11 4.888 6.177 0.052 1.00 0.00 N ATOM 142 CA CYS A 11 4.154 5.241 0.957 1.00 0.00 C ATOM 143 C CYS A 11 5.149 4.472 1.824 1.00 0.00 C ATOM 144 O CYS A 11 6.321 4.382 1.514 1.00 0.00 O ATOM 145 CB CYS A 11 3.330 4.231 0.158 1.00 0.00 C ATOM 146 SG CYS A 11 3.089 4.792 -1.546 1.00 0.00 S ATOM 0 H CYS A 11 5.456 5.732 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 11 3.485 5.837 1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.834 3.264 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.362 4.086 0.637 1.00 0.00 H new ATOM 151 N SER A 12 4.684 3.909 2.903 1.00 0.00 N ATOM 152 CA SER A 12 5.591 3.132 3.789 1.00 0.00 C ATOM 153 C SER A 12 5.413 1.640 3.503 1.00 0.00 C ATOM 154 O SER A 12 4.346 1.194 3.129 1.00 0.00 O ATOM 155 CB SER A 12 5.248 3.418 5.252 1.00 0.00 C ATOM 156 OG SER A 12 3.942 3.977 5.327 1.00 0.00 O ATOM 0 H SER A 12 3.712 3.954 3.210 1.00 0.00 H new ATOM 0 HA SER A 12 6.625 3.421 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.297 2.499 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.976 4.107 5.681 1.00 0.00 H new ATOM 0 HG SER A 12 3.699 4.116 6.266 1.00 0.00 H new ATOM 162 N LEU A 13 6.448 0.867 3.673 1.00 0.00 N ATOM 163 CA LEU A 13 6.337 -0.595 3.410 1.00 0.00 C ATOM 164 C LEU A 13 5.137 -1.163 4.169 1.00 0.00 C ATOM 165 O LEU A 13 4.626 -2.219 3.845 1.00 0.00 O ATOM 166 CB LEU A 13 7.618 -1.288 3.887 1.00 0.00 C ATOM 167 CG LEU A 13 8.690 -1.251 2.788 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.488 -2.433 1.846 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.591 0.057 1.993 1.00 0.00 C ATOM 0 H LEU A 13 7.367 1.184 3.983 1.00 0.00 H new ATOM 0 HA LEU A 13 6.201 -0.766 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.992 -0.796 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.401 -2.321 4.157 1.00 0.00 H new ATOM 0 HG LEU A 13 9.675 -1.310 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.248 -2.409 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.573 -3.364 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.499 -2.372 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.357 0.070 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.606 0.129 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.740 0.903 2.664 1.00 0.00 H new ATOM 181 N TYR A 14 4.690 -0.478 5.184 1.00 0.00 N ATOM 182 CA TYR A 14 3.533 -0.984 5.973 1.00 0.00 C ATOM 183 C TYR A 14 2.223 -0.541 5.335 1.00 0.00 C ATOM 184 O TYR A 14 1.239 -1.252 5.357 1.00 0.00 O ATOM 185 CB TYR A 14 3.617 -0.440 7.401 1.00 0.00 C ATOM 186 CG TYR A 14 2.575 -1.110 8.262 1.00 0.00 C ATOM 187 CD1 TYR A 14 2.418 -2.502 8.218 1.00 0.00 C ATOM 188 CD2 TYR A 14 1.768 -0.341 9.110 1.00 0.00 C ATOM 189 CE1 TYR A 14 1.452 -3.124 9.021 1.00 0.00 C ATOM 190 CE2 TYR A 14 0.802 -0.961 9.912 1.00 0.00 C ATOM 191 CZ TYR A 14 0.645 -2.353 9.868 1.00 0.00 C ATOM 192 OH TYR A 14 -0.307 -2.964 10.661 1.00 0.00 O ATOM 0 H TYR A 14 5.076 0.411 5.501 1.00 0.00 H new ATOM 0 HA TYR A 14 3.564 -2.073 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.611 -0.619 7.811 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.462 0.639 7.399 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.041 -3.095 7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.891 0.731 9.145 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.330 -4.197 8.987 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.179 -0.367 10.564 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.778 -2.285 11.188 1.00 0.00 H new ATOM 202 N GLN A 15 2.197 0.625 4.772 1.00 0.00 N ATOM 203 CA GLN A 15 0.939 1.108 4.143 1.00 0.00 C ATOM 204 C GLN A 15 0.606 0.253 2.913 1.00 0.00 C ATOM 205 O GLN A 15 -0.549 0.037 2.602 1.00 0.00 O ATOM 206 CB GLN A 15 1.093 2.580 3.751 1.00 0.00 C ATOM 207 CG GLN A 15 1.079 3.441 5.014 1.00 0.00 C ATOM 208 CD GLN A 15 1.130 4.919 4.624 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.020 5.342 3.914 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.204 5.728 5.060 1.00 0.00 N ATOM 0 H GLN A 15 2.988 1.267 4.718 1.00 0.00 H new ATOM 0 HA GLN A 15 0.119 1.019 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.025 2.728 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.284 2.878 3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.180 3.238 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.931 3.191 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.544 5.373 5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.228 6.715 4.805 1.00 0.00 H new ATOM 219 N LEU A 16 1.591 -0.268 2.221 1.00 0.00 N ATOM 220 CA LEU A 16 1.280 -1.121 1.043 1.00 0.00 C ATOM 221 C LEU A 16 1.003 -2.532 1.547 1.00 0.00 C ATOM 222 O LEU A 16 0.230 -3.272 0.972 1.00 0.00 O ATOM 223 CB LEU A 16 2.464 -1.126 0.076 1.00 0.00 C ATOM 224 CG LEU A 16 1.979 -0.986 -1.362 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.361 -2.303 -1.827 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.943 0.133 -1.463 1.00 0.00 C ATOM 0 H LEU A 16 2.583 -0.139 2.421 1.00 0.00 H new ATOM 0 HA LEU A 16 0.410 -0.735 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.143 -0.308 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.028 -2.052 0.187 1.00 0.00 H new ATOM 0 HG LEU A 16 2.828 -0.739 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.015 -2.200 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.108 -3.095 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.518 -2.556 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.604 0.223 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.093 -0.099 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.392 1.074 -1.145 1.00 0.00 H new ATOM 238 N GLU A 17 1.598 -2.894 2.654 1.00 0.00 N ATOM 239 CA GLU A 17 1.336 -4.237 3.231 1.00 0.00 C ATOM 240 C GLU A 17 0.026 -4.174 4.010 1.00 0.00 C ATOM 241 O GLU A 17 -0.373 -5.120 4.661 1.00 0.00 O ATOM 242 CB GLU A 17 2.483 -4.629 4.167 1.00 0.00 C ATOM 243 CG GLU A 17 2.346 -6.101 4.561 1.00 0.00 C ATOM 244 CD GLU A 17 2.506 -6.240 6.076 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.208 -5.426 6.655 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.925 -7.158 6.631 1.00 0.00 O ATOM 0 H GLU A 17 2.253 -2.315 3.180 1.00 0.00 H new ATOM 0 HA GLU A 17 1.264 -4.982 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.441 -4.462 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.469 -4.001 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.373 -6.483 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.101 -6.698 4.049 1.00 0.00 H new ATOM 253 N ASN A 18 -0.654 -3.060 3.936 1.00 0.00 N ATOM 254 CA ASN A 18 -1.947 -2.929 4.657 1.00 0.00 C ATOM 255 C ASN A 18 -3.093 -3.116 3.662 1.00 0.00 C ATOM 256 O ASN A 18 -4.253 -3.065 4.020 1.00 0.00 O ATOM 257 CB ASN A 18 -2.040 -1.539 5.290 1.00 0.00 C ATOM 258 CG ASN A 18 -1.819 -1.645 6.800 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.742 -1.985 7.246 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.801 -1.366 7.614 1.00 0.00 N ATOM 0 H ASN A 18 -0.367 -2.237 3.406 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.012 -3.685 5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.294 -0.877 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.017 -1.100 5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.663 -1.434 8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.707 -1.080 7.242 1.00 0.00 H new ATOM 267 N TYR A 19 -2.779 -3.331 2.410 1.00 0.00 N ATOM 268 CA TYR A 19 -3.852 -3.517 1.395 1.00 0.00 C ATOM 269 C TYR A 19 -3.800 -4.942 0.840 1.00 0.00 C ATOM 270 O TYR A 19 -4.123 -5.184 -0.305 1.00 0.00 O ATOM 271 CB TYR A 19 -3.656 -2.514 0.258 1.00 0.00 C ATOM 272 CG TYR A 19 -4.329 -1.212 0.621 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.073 -0.612 1.863 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.212 -0.605 -0.280 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.701 0.594 2.200 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.840 0.601 0.058 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.584 1.200 1.297 1.00 0.00 C ATOM 278 OH TYR A 19 -6.202 2.388 1.631 1.00 0.00 O ATOM 0 H TYR A 19 -1.826 -3.385 2.050 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.823 -3.352 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.593 -2.350 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.076 -2.909 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.392 -1.080 2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.409 -1.067 -1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.504 1.057 3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.522 1.068 -0.637 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.781 2.674 0.894 1.00 0.00 H new ATOM 288 N CYS A 20 -3.402 -5.890 1.646 1.00 0.00 N ATOM 289 CA CYS A 20 -3.339 -7.296 1.162 1.00 0.00 C ATOM 290 C CYS A 20 -4.481 -8.099 1.795 1.00 0.00 C ATOM 291 O CYS A 20 -4.868 -7.861 2.922 1.00 0.00 O ATOM 292 CB CYS A 20 -1.998 -7.919 1.553 1.00 0.00 C ATOM 293 SG CYS A 20 -0.645 -6.952 0.834 1.00 0.00 S ATOM 0 H CYS A 20 -3.119 -5.750 2.616 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.437 -7.311 0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.901 -7.947 2.638 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.948 -8.950 1.202 1.00 0.00 H new ATOM 298 N ASN A 21 -5.026 -9.047 1.079 1.00 0.00 N ATOM 299 CA ASN A 21 -6.142 -9.858 1.644 1.00 0.00 C ATOM 300 C ASN A 21 -5.620 -10.721 2.793 1.00 0.00 C ATOM 301 O ASN A 21 -4.812 -11.596 2.531 1.00 0.00 O ATOM 302 CB ASN A 21 -6.720 -10.757 0.548 1.00 0.00 C ATOM 303 CG ASN A 21 -8.211 -10.459 0.377 1.00 0.00 C ATOM 304 OD1 ASN A 21 -8.994 -10.682 1.278 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.638 -9.959 -0.751 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.037 -10.493 3.917 1.00 0.00 O ATOM 0 H ASN A 21 -4.747 -9.294 0.130 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.921 -9.194 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.194 -10.587 -0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.575 -11.805 0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.630 -9.755 -0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.980 -9.772 -1.507 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.596 0.134 3.423 1.00 0.00 N ATOM 315 CA PHE B 1 12.167 0.116 2.999 1.00 0.00 C ATOM 316 C PHE B 1 12.039 0.734 1.604 1.00 0.00 C ATOM 317 O PHE B 1 12.436 1.859 1.373 1.00 0.00 O ATOM 318 CB PHE B 1 11.331 0.925 3.993 1.00 0.00 C ATOM 319 CG PHE B 1 11.800 0.630 5.398 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.825 -0.690 5.866 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.209 1.678 6.235 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.259 -0.963 7.171 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.643 1.404 7.540 1.00 0.00 C ATOM 324 CZ PHE B 1 12.668 0.084 8.007 1.00 0.00 C ATOM 0 H1 PHE B 1 13.653 0.025 4.456 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.104 -0.648 2.964 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.029 1.038 3.146 1.00 0.00 H new ATOM 0 HA PHE B 1 11.809 -0.913 2.974 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.425 1.990 3.782 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.276 0.672 3.889 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.510 -1.497 5.222 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.190 2.696 5.875 1.00 0.00 H new ATOM 0 HE1 PHE B 1 12.278 -1.981 7.532 1.00 0.00 H new ATOM 0 HE2 PHE B 1 12.958 2.211 8.185 1.00 0.00 H new ATOM 0 HZ PHE B 1 13.003 -0.127 9.012 1.00 0.00 H new ATOM 336 N VAL B 2 11.487 0.005 0.673 1.00 0.00 N ATOM 337 CA VAL B 2 11.331 0.548 -0.706 1.00 0.00 C ATOM 338 C VAL B 2 10.215 1.595 -0.721 1.00 0.00 C ATOM 339 O VAL B 2 9.237 1.461 -1.427 1.00 0.00 O ATOM 340 CB VAL B 2 10.974 -0.589 -1.665 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.318 -0.178 -3.096 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.771 -1.840 -1.289 1.00 0.00 C ATOM 0 H VAL B 2 11.137 -0.944 0.808 1.00 0.00 H new ATOM 0 HA VAL B 2 12.267 1.010 -1.021 1.00 0.00 H new ATOM 0 HB VAL B 2 9.907 -0.801 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.063 -0.989 -3.779 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.752 0.714 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.385 0.035 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.518 -2.651 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.838 -1.627 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.526 -2.134 -0.269 1.00 0.00 H new ATOM 352 N ASN B 3 10.357 2.636 0.055 1.00 0.00 N ATOM 353 CA ASN B 3 9.309 3.699 0.091 1.00 0.00 C ATOM 354 C ASN B 3 9.078 4.236 -1.324 1.00 0.00 C ATOM 355 O ASN B 3 9.636 5.242 -1.716 1.00 0.00 O ATOM 356 CB ASN B 3 9.775 4.832 1.010 1.00 0.00 C ATOM 357 CG ASN B 3 11.231 5.185 0.695 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.642 5.158 -0.448 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.034 5.517 1.669 1.00 0.00 N ATOM 0 H ASN B 3 11.156 2.797 0.668 1.00 0.00 H new ATOM 0 HA ASN B 3 8.375 3.285 0.471 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.141 5.708 0.874 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.681 4.529 2.053 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.006 5.754 1.470 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.689 5.540 2.629 1.00 0.00 H new ATOM 366 N GLN B 4 8.265 3.565 -2.096 1.00 0.00 N ATOM 367 CA GLN B 4 8.006 4.026 -3.489 1.00 0.00 C ATOM 368 C GLN B 4 6.663 4.763 -3.568 1.00 0.00 C ATOM 369 O GLN B 4 5.772 4.553 -2.766 1.00 0.00 O ATOM 370 CB GLN B 4 7.972 2.816 -4.426 1.00 0.00 C ATOM 371 CG GLN B 4 8.508 3.220 -5.801 1.00 0.00 C ATOM 372 CD GLN B 4 8.268 2.081 -6.793 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.147 1.654 -6.986 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.281 1.564 -7.435 1.00 0.00 N ATOM 0 H GLN B 4 7.769 2.717 -1.821 1.00 0.00 H new ATOM 0 HA GLN B 4 8.803 4.708 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.573 2.006 -4.013 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.952 2.442 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.012 4.127 -6.145 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.573 3.444 -5.737 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.223 1.921 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.130 0.803 -8.097 1.00 0.00 H new ATOM 383 N HIS B 5 6.517 5.623 -4.542 1.00 0.00 N ATOM 384 CA HIS B 5 5.242 6.379 -4.707 1.00 0.00 C ATOM 385 C HIS B 5 4.482 5.814 -5.924 1.00 0.00 C ATOM 386 O HIS B 5 4.995 5.817 -7.025 1.00 0.00 O ATOM 387 CB HIS B 5 5.577 7.873 -4.907 1.00 0.00 C ATOM 388 CG HIS B 5 5.687 8.208 -6.374 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.612 8.706 -7.080 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.740 8.113 -7.244 1.00 0.00 C ATOM 391 CE1 HIS B 5 5.034 8.898 -8.339 1.00 0.00 C ATOM 392 NE2 HIS B 5 6.328 8.550 -8.487 1.00 0.00 N ATOM 0 H HIS B 5 7.234 5.835 -5.236 1.00 0.00 H new ATOM 0 HA HIS B 5 4.610 6.276 -3.825 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.804 8.488 -4.446 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.515 8.110 -4.404 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.729 7.755 -6.998 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.414 9.283 -9.135 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.886 8.599 -9.339 1.00 0.00 H new ATOM 400 N LEU B 6 3.276 5.327 -5.752 1.00 0.00 N ATOM 401 CA LEU B 6 2.547 4.775 -6.936 1.00 0.00 C ATOM 402 C LEU B 6 1.077 5.220 -6.966 1.00 0.00 C ATOM 403 O LEU B 6 0.496 5.556 -5.955 1.00 0.00 O ATOM 404 CB LEU B 6 2.598 3.260 -6.971 1.00 0.00 C ATOM 405 CG LEU B 6 3.015 2.676 -5.655 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.450 3.055 -5.322 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.069 3.151 -4.571 1.00 0.00 C ATOM 0 H LEU B 6 2.775 5.288 -4.864 1.00 0.00 H new ATOM 0 HA LEU B 6 3.057 5.174 -7.813 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.617 2.872 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.295 2.940 -7.746 1.00 0.00 H new ATOM 0 HG LEU B 6 2.968 1.589 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.728 2.619 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.115 2.678 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.536 4.140 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.371 2.727 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.100 4.239 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.055 2.829 -4.807 1.00 0.00 H new ATOM 419 N CYS B 7 0.467 5.214 -8.133 1.00 0.00 N ATOM 420 CA CYS B 7 -0.968 5.624 -8.235 1.00 0.00 C ATOM 421 C CYS B 7 -1.768 4.569 -9.023 1.00 0.00 C ATOM 422 O CYS B 7 -2.404 3.715 -8.449 1.00 0.00 O ATOM 423 CB CYS B 7 -1.111 6.989 -8.940 1.00 0.00 C ATOM 424 SG CYS B 7 0.511 7.723 -9.281 1.00 0.00 S ATOM 0 H CYS B 7 0.903 4.943 -9.014 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.359 5.708 -7.221 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.660 6.864 -9.873 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.695 7.665 -8.315 1.00 0.00 H new ATOM 429 N GLY B 8 -1.756 4.631 -10.331 1.00 0.00 N ATOM 430 CA GLY B 8 -2.540 3.640 -11.138 1.00 0.00 C ATOM 431 C GLY B 8 -2.002 2.221 -10.921 1.00 0.00 C ATOM 432 O GLY B 8 -1.763 1.798 -9.802 1.00 0.00 O ATOM 0 H GLY B 8 -1.240 5.322 -10.876 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.592 3.683 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.484 3.898 -12.195 1.00 0.00 H new ATOM 436 N SER B 9 -1.811 1.477 -11.987 1.00 0.00 N ATOM 437 CA SER B 9 -1.283 0.089 -11.840 1.00 0.00 C ATOM 438 C SER B 9 -0.144 0.129 -10.830 1.00 0.00 C ATOM 439 O SER B 9 0.094 -0.806 -10.093 1.00 0.00 O ATOM 440 CB SER B 9 -0.760 -0.414 -13.187 1.00 0.00 C ATOM 441 OG SER B 9 -0.606 0.687 -14.073 1.00 0.00 O ATOM 0 H SER B 9 -1.998 1.772 -12.945 1.00 0.00 H new ATOM 0 HA SER B 9 -2.071 -0.583 -11.502 1.00 0.00 H new ATOM 0 HB2 SER B 9 0.194 -0.923 -13.052 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.453 -1.142 -13.610 1.00 0.00 H new ATOM 0 HG SER B 9 -0.269 0.368 -14.936 1.00 0.00 H new ATOM 447 N ASP B 10 0.537 1.236 -10.780 1.00 0.00 N ATOM 448 CA ASP B 10 1.643 1.401 -9.809 1.00 0.00 C ATOM 449 C ASP B 10 1.132 0.992 -8.427 1.00 0.00 C ATOM 450 O ASP B 10 1.833 0.356 -7.666 1.00 0.00 O ATOM 451 CB ASP B 10 2.101 2.859 -9.860 1.00 0.00 C ATOM 452 CG ASP B 10 3.624 2.914 -9.992 1.00 0.00 C ATOM 453 OD1 ASP B 10 4.191 1.949 -10.478 1.00 0.00 O ATOM 454 OD2 ASP B 10 4.198 3.919 -9.606 1.00 0.00 O ATOM 0 H ASP B 10 0.370 2.043 -11.380 1.00 0.00 H new ATOM 0 HA ASP B 10 2.500 0.771 -10.045 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.634 3.368 -10.703 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.785 3.382 -8.957 1.00 0.00 H new ATOM 459 N LEU B 11 -0.105 1.287 -8.112 1.00 0.00 N ATOM 460 CA LEU B 11 -0.646 0.829 -6.801 1.00 0.00 C ATOM 461 C LEU B 11 -0.806 -0.679 -6.923 1.00 0.00 C ATOM 462 O LEU B 11 -0.326 -1.454 -6.122 1.00 0.00 O ATOM 463 CB LEU B 11 -2.060 1.395 -6.572 1.00 0.00 C ATOM 464 CG LEU B 11 -2.190 2.275 -5.315 1.00 0.00 C ATOM 465 CD1 LEU B 11 -0.990 2.136 -4.376 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.342 3.725 -5.765 1.00 0.00 C ATOM 0 H LEU B 11 -0.752 1.816 -8.696 1.00 0.00 H new ATOM 0 HA LEU B 11 0.013 1.145 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.351 1.981 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.764 0.566 -6.496 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.063 1.948 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.132 2.777 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.900 1.099 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.081 2.432 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.436 4.369 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.465 4.021 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.233 3.822 -6.385 1.00 0.00 H new HETATM 478 N ABA B 12 -1.500 -1.078 -7.958 1.00 0.00 N HETATM 479 CA ABA B 12 -1.749 -2.526 -8.217 1.00 0.00 C HETATM 480 C ABA B 12 -0.423 -3.288 -8.224 1.00 0.00 C HETATM 481 O ABA B 12 -0.399 -4.496 -8.127 1.00 0.00 O HETATM 482 CB ABA B 12 -2.421 -2.691 -9.590 1.00 0.00 C HETATM 483 CG ABA B 12 -3.368 -3.885 -9.574 1.00 0.00 C HETATM 0 HG3 ABA B 12 -4.137 -3.729 -8.818 1.00 0.00 H new HETATM 0 HG2 ABA B 12 -2.808 -4.791 -9.341 1.00 0.00 H new HETATM 0 HG1 ABA B 12 -3.837 -3.990 -10.552 1.00 0.00 H new HETATM 0 HB3 ABA B 12 -1.662 -2.830 -10.360 1.00 0.00 H new HETATM 0 HB2 ABA B 12 -2.971 -1.785 -9.845 1.00 0.00 H new HETATM 0 HA ABA B 12 -2.395 -2.921 -7.433 1.00 0.00 H new ATOM 491 N GLU B 13 0.676 -2.598 -8.360 1.00 0.00 N ATOM 492 CA GLU B 13 1.989 -3.302 -8.397 1.00 0.00 C ATOM 493 C GLU B 13 2.535 -3.501 -6.990 1.00 0.00 C ATOM 494 O GLU B 13 2.701 -4.615 -6.549 1.00 0.00 O ATOM 495 CB GLU B 13 2.994 -2.489 -9.203 1.00 0.00 C ATOM 496 CG GLU B 13 3.254 -3.173 -10.547 1.00 0.00 C ATOM 497 CD GLU B 13 3.846 -2.161 -11.531 1.00 0.00 C ATOM 498 OE1 GLU B 13 4.730 -1.422 -11.129 1.00 0.00 O ATOM 499 OE2 GLU B 13 3.407 -2.143 -12.669 1.00 0.00 O ATOM 0 H GLU B 13 0.722 -1.583 -8.447 1.00 0.00 H new ATOM 0 HA GLU B 13 1.836 -4.275 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.613 -1.481 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.927 -2.392 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.939 -4.010 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.325 -3.582 -10.945 1.00 0.00 H new ATOM 506 N ALA B 14 2.823 -2.442 -6.277 1.00 0.00 N ATOM 507 CA ALA B 14 3.359 -2.613 -4.896 1.00 0.00 C ATOM 508 C ALA B 14 2.515 -3.680 -4.214 1.00 0.00 C ATOM 509 O ALA B 14 3.009 -4.574 -3.559 1.00 0.00 O ATOM 510 CB ALA B 14 3.257 -1.291 -4.139 1.00 0.00 C ATOM 0 H ALA B 14 2.711 -1.477 -6.588 1.00 0.00 H new ATOM 0 HA ALA B 14 4.407 -2.912 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.649 -1.418 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.836 -0.528 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.213 -0.982 -4.086 1.00 0.00 H new ATOM 516 N LEU B 15 1.236 -3.606 -4.417 1.00 0.00 N ATOM 517 CA LEU B 15 0.319 -4.629 -3.847 1.00 0.00 C ATOM 518 C LEU B 15 0.667 -5.984 -4.458 1.00 0.00 C ATOM 519 O LEU B 15 0.717 -6.995 -3.786 1.00 0.00 O ATOM 520 CB LEU B 15 -1.122 -4.296 -4.246 1.00 0.00 C ATOM 521 CG LEU B 15 -1.516 -2.888 -3.764 1.00 0.00 C ATOM 522 CD1 LEU B 15 -2.964 -2.617 -4.156 1.00 0.00 C ATOM 523 CD2 LEU B 15 -1.372 -2.746 -2.239 1.00 0.00 C ATOM 0 H LEU B 15 0.779 -2.873 -4.959 1.00 0.00 H new ATOM 0 HA LEU B 15 0.419 -4.647 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.226 -4.356 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.801 -5.034 -3.819 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.846 -2.168 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.252 -1.621 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.065 -2.676 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.612 -3.360 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.659 -1.738 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.018 -3.471 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.336 -2.928 -1.953 1.00 0.00 H new ATOM 535 N TYR B 16 0.889 -6.004 -5.745 1.00 0.00 N ATOM 536 CA TYR B 16 1.217 -7.281 -6.439 1.00 0.00 C ATOM 537 C TYR B 16 2.672 -7.669 -6.169 1.00 0.00 C ATOM 538 O TYR B 16 3.054 -8.814 -6.306 1.00 0.00 O ATOM 539 CB TYR B 16 1.033 -7.080 -7.941 1.00 0.00 C ATOM 540 CG TYR B 16 -0.253 -7.714 -8.409 1.00 0.00 C ATOM 541 CD1 TYR B 16 -0.623 -8.985 -7.951 1.00 0.00 C ATOM 542 CD2 TYR B 16 -1.071 -7.029 -9.317 1.00 0.00 C ATOM 543 CE1 TYR B 16 -1.815 -9.569 -8.400 1.00 0.00 C ATOM 544 CE2 TYR B 16 -2.261 -7.614 -9.768 1.00 0.00 C ATOM 545 CZ TYR B 16 -2.633 -8.884 -9.310 1.00 0.00 C ATOM 546 OH TYR B 16 -3.805 -9.462 -9.754 1.00 0.00 O ATOM 0 H TYR B 16 0.857 -5.183 -6.349 1.00 0.00 H new ATOM 0 HA TYR B 16 0.561 -8.071 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.025 -6.015 -8.172 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.876 -7.516 -8.477 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.009 -9.514 -7.253 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.784 -6.049 -9.669 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.104 -10.547 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.891 -7.086 -10.468 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.253 -8.854 -10.379 1.00 0.00 H new ATOM 556 N LEU B 17 3.496 -6.725 -5.805 1.00 0.00 N ATOM 557 CA LEU B 17 4.926 -7.047 -5.551 1.00 0.00 C ATOM 558 C LEU B 17 5.173 -7.142 -4.053 1.00 0.00 C ATOM 559 O LEU B 17 6.154 -7.704 -3.608 1.00 0.00 O ATOM 560 CB LEU B 17 5.796 -5.935 -6.125 1.00 0.00 C ATOM 561 CG LEU B 17 6.287 -6.336 -7.520 1.00 0.00 C ATOM 562 CD1 LEU B 17 7.441 -7.331 -7.394 1.00 0.00 C ATOM 563 CD2 LEU B 17 5.145 -6.978 -8.313 1.00 0.00 C ATOM 0 H LEU B 17 3.240 -5.746 -5.673 1.00 0.00 H new ATOM 0 HA LEU B 17 5.172 -7.999 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.227 -5.007 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.646 -5.749 -5.469 1.00 0.00 H new ATOM 0 HG LEU B 17 6.631 -5.444 -8.044 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.788 -7.614 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.260 -6.870 -6.842 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.099 -8.219 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.503 -7.260 -9.303 1.00 0.00 H new ATOM 0 HD22 LEU B 17 4.792 -7.866 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.326 -6.266 -8.413 1.00 0.00 H new ATOM 575 N VAL B 18 4.298 -6.585 -3.269 1.00 0.00 N ATOM 576 CA VAL B 18 4.494 -6.629 -1.802 1.00 0.00 C ATOM 577 C VAL B 18 3.944 -7.944 -1.242 1.00 0.00 C ATOM 578 O VAL B 18 4.596 -8.620 -0.471 1.00 0.00 O ATOM 579 CB VAL B 18 3.753 -5.456 -1.170 1.00 0.00 C ATOM 580 CG1 VAL B 18 3.653 -5.684 0.333 1.00 0.00 C ATOM 581 CG2 VAL B 18 4.520 -4.157 -1.418 1.00 0.00 C ATOM 0 H VAL B 18 3.456 -6.102 -3.583 1.00 0.00 H new ATOM 0 HA VAL B 18 5.558 -6.564 -1.573 1.00 0.00 H new ATOM 0 HB VAL B 18 2.759 -5.381 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.124 -4.849 0.793 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.109 -6.609 0.525 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.654 -5.757 0.757 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.983 -3.325 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.514 -4.232 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.610 -3.987 -2.491 1.00 0.00 H new ATOM 591 N CYS B 19 2.744 -8.307 -1.608 1.00 0.00 N ATOM 592 CA CYS B 19 2.160 -9.568 -1.076 1.00 0.00 C ATOM 593 C CYS B 19 2.021 -10.591 -2.205 1.00 0.00 C ATOM 594 O CYS B 19 2.817 -11.499 -2.335 1.00 0.00 O ATOM 595 CB CYS B 19 0.783 -9.271 -0.480 1.00 0.00 C ATOM 596 SG CYS B 19 0.959 -8.176 0.950 1.00 0.00 S ATOM 0 H CYS B 19 2.146 -7.786 -2.250 1.00 0.00 H new ATOM 0 HA CYS B 19 2.814 -9.975 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.144 -8.805 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.298 -10.200 -0.181 1.00 0.00 H new ATOM 601 N GLY B 20 1.017 -10.449 -3.023 1.00 0.00 N ATOM 602 CA GLY B 20 0.828 -11.408 -4.147 1.00 0.00 C ATOM 603 C GLY B 20 -0.030 -12.596 -3.698 1.00 0.00 C ATOM 604 O GLY B 20 -1.184 -12.710 -4.063 1.00 0.00 O ATOM 0 H GLY B 20 0.318 -9.709 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY B 20 0.351 -10.904 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.797 -11.763 -4.497 1.00 0.00 H new ATOM 608 N GLU B 21 0.527 -13.495 -2.929 1.00 0.00 N ATOM 609 CA GLU B 21 -0.256 -14.687 -2.491 1.00 0.00 C ATOM 610 C GLU B 21 -1.256 -14.318 -1.388 1.00 0.00 C ATOM 611 O GLU B 21 -2.019 -15.150 -0.939 1.00 0.00 O ATOM 612 CB GLU B 21 0.699 -15.769 -1.980 1.00 0.00 C ATOM 613 CG GLU B 21 1.512 -15.231 -0.803 1.00 0.00 C ATOM 614 CD GLU B 21 2.313 -16.372 -0.175 1.00 0.00 C ATOM 615 OE1 GLU B 21 3.383 -16.667 -0.681 1.00 0.00 O ATOM 616 OE2 GLU B 21 1.842 -16.934 0.800 1.00 0.00 O ATOM 0 H GLU B 21 1.487 -13.455 -2.587 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.816 -15.062 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.134 -16.649 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.367 -16.084 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.185 -14.443 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.848 -14.787 -0.061 1.00 0.00 H new ATOM 623 N ARG B 22 -1.284 -13.087 -0.959 1.00 0.00 N ATOM 624 CA ARG B 22 -2.268 -12.706 0.096 1.00 0.00 C ATOM 625 C ARG B 22 -3.470 -12.047 -0.575 1.00 0.00 C ATOM 626 O ARG B 22 -4.563 -12.029 -0.044 1.00 0.00 O ATOM 627 CB ARG B 22 -1.638 -11.730 1.091 1.00 0.00 C ATOM 628 CG ARG B 22 -0.704 -12.488 2.038 1.00 0.00 C ATOM 629 CD ARG B 22 -1.044 -12.127 3.485 1.00 0.00 C ATOM 630 NE ARG B 22 -2.045 -13.094 4.015 1.00 0.00 N ATOM 631 CZ ARG B 22 -1.813 -13.724 5.135 1.00 0.00 C ATOM 632 NH1 ARG B 22 -0.670 -14.329 5.318 1.00 0.00 N ATOM 633 NH2 ARG B 22 -2.725 -13.753 6.068 1.00 0.00 N ATOM 0 H ARG B 22 -0.677 -12.336 -1.287 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.579 -13.598 0.639 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.082 -10.959 0.557 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.417 -11.224 1.661 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.808 -13.562 1.886 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.334 -12.234 1.823 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.143 -12.147 4.098 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.440 -11.113 3.535 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.911 -13.264 3.504 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.040 -14.309 4.586 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.488 -14.821 6.193 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.619 -13.284 5.922 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.544 -14.245 6.943 1.00 0.00 H new ATOM 647 N GLY B 23 -3.273 -11.518 -1.749 1.00 0.00 N ATOM 648 CA GLY B 23 -4.401 -10.870 -2.475 1.00 0.00 C ATOM 649 C GLY B 23 -4.477 -9.378 -2.117 1.00 0.00 C ATOM 650 O GLY B 23 -3.989 -8.959 -1.089 1.00 0.00 O ATOM 0 H GLY B 23 -2.378 -11.506 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.266 -10.987 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.339 -11.361 -2.217 1.00 0.00 H new ATOM 654 N PHE B 24 -5.113 -8.578 -2.938 1.00 0.00 N ATOM 655 CA PHE B 24 -5.246 -7.126 -2.605 1.00 0.00 C ATOM 656 C PHE B 24 -6.603 -6.640 -3.131 1.00 0.00 C ATOM 657 O PHE B 24 -7.147 -7.199 -4.063 1.00 0.00 O ATOM 658 CB PHE B 24 -4.110 -6.306 -3.237 1.00 0.00 C ATOM 659 CG PHE B 24 -4.181 -6.369 -4.749 1.00 0.00 C ATOM 660 CD1 PHE B 24 -3.915 -7.571 -5.417 1.00 0.00 C ATOM 661 CD2 PHE B 24 -4.523 -5.222 -5.487 1.00 0.00 C ATOM 662 CE1 PHE B 24 -3.988 -7.631 -6.812 1.00 0.00 C ATOM 663 CE2 PHE B 24 -4.597 -5.285 -6.881 1.00 0.00 C ATOM 664 CZ PHE B 24 -4.332 -6.487 -7.546 1.00 0.00 C ATOM 0 H PHE B 24 -5.543 -8.865 -3.818 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.184 -6.993 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.177 -5.269 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.147 -6.687 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.653 -8.454 -4.853 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.728 -4.293 -4.977 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.779 -8.559 -7.324 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.860 -4.403 -7.447 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.392 -6.534 -8.623 1.00 0.00 H new ATOM 674 N PHE B 25 -7.176 -5.629 -2.531 1.00 0.00 N ATOM 675 CA PHE B 25 -8.519 -5.157 -2.998 1.00 0.00 C ATOM 676 C PHE B 25 -8.396 -3.914 -3.884 1.00 0.00 C ATOM 677 O PHE B 25 -8.450 -4.004 -5.091 1.00 0.00 O ATOM 678 CB PHE B 25 -9.425 -4.831 -1.798 1.00 0.00 C ATOM 679 CG PHE B 25 -8.698 -5.081 -0.495 1.00 0.00 C ATOM 680 CD1 PHE B 25 -8.593 -6.384 0.010 1.00 0.00 C ATOM 681 CD2 PHE B 25 -8.136 -4.009 0.211 1.00 0.00 C ATOM 682 CE1 PHE B 25 -7.925 -6.616 1.219 1.00 0.00 C ATOM 683 CE2 PHE B 25 -7.468 -4.241 1.420 1.00 0.00 C ATOM 684 CZ PHE B 25 -7.362 -5.544 1.925 1.00 0.00 C ATOM 0 H PHE B 25 -6.779 -5.113 -1.746 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.961 -5.964 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.743 -3.790 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.327 -5.442 -1.840 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.028 -7.210 -0.533 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.218 -3.004 -0.177 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.844 -7.621 1.607 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.034 -3.415 1.964 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.847 -5.722 2.857 1.00 0.00 H new ATOM 694 N TYR B 26 -8.270 -2.761 -3.275 1.00 0.00 N ATOM 695 CA TYR B 26 -8.176 -1.463 -4.031 1.00 0.00 C ATOM 696 C TYR B 26 -9.582 -0.900 -4.244 1.00 0.00 C ATOM 697 O TYR B 26 -10.253 -1.227 -5.205 1.00 0.00 O ATOM 698 CB TYR B 26 -7.498 -1.649 -5.397 1.00 0.00 C ATOM 699 CG TYR B 26 -7.403 -0.313 -6.111 1.00 0.00 C ATOM 700 CD1 TYR B 26 -7.557 0.890 -5.401 1.00 0.00 C ATOM 701 CD2 TYR B 26 -7.171 -0.280 -7.494 1.00 0.00 C ATOM 702 CE1 TYR B 26 -7.477 2.117 -6.075 1.00 0.00 C ATOM 703 CE2 TYR B 26 -7.091 0.947 -8.165 1.00 0.00 C ATOM 704 CZ TYR B 26 -7.244 2.145 -7.456 1.00 0.00 C ATOM 705 OH TYR B 26 -7.165 3.353 -8.119 1.00 0.00 O ATOM 0 H TYR B 26 -8.227 -2.658 -2.261 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.571 -0.774 -3.442 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.502 -2.072 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.066 -2.355 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.737 0.869 -4.336 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.054 -1.203 -8.043 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.595 3.041 -5.529 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.911 0.969 -9.230 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.998 3.193 -9.071 1.00 0.00 H new ATOM 715 N THR B 27 -10.035 -0.057 -3.357 1.00 0.00 N ATOM 716 CA THR B 27 -11.398 0.528 -3.509 1.00 0.00 C ATOM 717 C THR B 27 -11.301 1.864 -4.247 1.00 0.00 C ATOM 718 O THR B 27 -10.231 2.300 -4.625 1.00 0.00 O ATOM 719 CB THR B 27 -12.013 0.758 -2.127 1.00 0.00 C ATOM 720 OG1 THR B 27 -11.083 1.450 -1.305 1.00 0.00 O ATOM 721 CG2 THR B 27 -12.360 -0.589 -1.490 1.00 0.00 C ATOM 0 H THR B 27 -9.520 0.252 -2.533 1.00 0.00 H new ATOM 0 HA THR B 27 -12.024 -0.159 -4.078 1.00 0.00 H new ATOM 0 HB THR B 27 -12.921 1.353 -2.227 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.477 1.599 -0.420 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.798 -0.424 -0.506 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.075 -1.117 -2.121 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.455 -1.187 -1.389 1.00 0.00 H new ATOM 729 N LYS B 28 -12.412 2.518 -4.452 1.00 0.00 N ATOM 730 CA LYS B 28 -12.389 3.828 -5.162 1.00 0.00 C ATOM 731 C LYS B 28 -13.070 4.890 -4.293 1.00 0.00 C ATOM 732 O LYS B 28 -14.254 5.128 -4.422 1.00 0.00 O ATOM 733 CB LYS B 28 -13.140 3.701 -6.491 1.00 0.00 C ATOM 734 CG LYS B 28 -12.334 2.831 -7.457 1.00 0.00 C ATOM 735 CD LYS B 28 -12.160 3.570 -8.787 1.00 0.00 C ATOM 736 CE LYS B 28 -11.454 2.655 -9.789 1.00 0.00 C ATOM 737 NZ LYS B 28 -11.620 3.201 -11.165 1.00 0.00 N ATOM 0 H LYS B 28 -13.336 2.201 -4.158 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.356 4.120 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.123 3.261 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.302 4.688 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.359 2.599 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.844 1.882 -7.620 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.132 3.873 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.579 4.480 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.395 2.577 -9.543 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.869 1.649 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.140 2.578 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.632 3.253 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.204 4.153 -11.213 1.00 0.00 H new ATOM 751 N PRO B 29 -12.295 5.499 -3.430 1.00 0.00 N ATOM 752 CA PRO B 29 -12.790 6.546 -2.520 1.00 0.00 C ATOM 753 C PRO B 29 -12.948 7.873 -3.268 1.00 0.00 C ATOM 754 O PRO B 29 -12.681 7.965 -4.448 1.00 0.00 O ATOM 755 CB PRO B 29 -11.692 6.645 -1.457 1.00 0.00 C ATOM 756 CG PRO B 29 -10.404 6.086 -2.107 1.00 0.00 C ATOM 757 CD PRO B 29 -10.855 5.200 -3.284 1.00 0.00 C ATOM 0 HA PRO B 29 -13.768 6.319 -2.096 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.550 7.678 -1.140 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.959 6.073 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.763 6.896 -2.455 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.825 5.508 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.305 5.437 -4.195 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.687 4.144 -3.075 1.00 0.00 H new ATOM 765 N THR B 30 -13.378 8.899 -2.589 1.00 0.00 N ATOM 766 CA THR B 30 -13.550 10.218 -3.261 1.00 0.00 C ATOM 767 C THR B 30 -12.194 10.717 -3.764 1.00 0.00 C ATOM 768 O THR B 30 -12.034 11.921 -3.880 1.00 0.00 O ATOM 769 CB THR B 30 -14.126 11.226 -2.263 1.00 0.00 C ATOM 770 OG1 THR B 30 -14.112 10.661 -0.960 1.00 0.00 O ATOM 771 CG2 THR B 30 -15.562 11.576 -2.656 1.00 0.00 C ATOM 772 OXT THR B 30 -11.338 9.887 -4.023 1.00 0.00 O ATOM 0 H THR B 30 -13.618 8.882 -1.598 1.00 0.00 H new ATOM 0 HA THR B 30 -14.232 10.110 -4.105 1.00 0.00 H new ATOM 0 HB THR B 30 -13.520 12.132 -2.272 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.479 11.306 -0.320 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.969 12.294 -1.944 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.570 12.012 -3.655 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.172 10.672 -2.649 1.00 0.00 H new TER 780 THR B 30