USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 27 THR OG1 : rot 180:sc= -0.481 USER MOD Set 1.2: B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0992 K(o=-0.099,f=-2.6!) USER MOD Single : A 8 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.064) USER MOD Single : A 9 SER OG : rot 180:sc= -0.21 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 18 ASN : amide:sc= -0.0539 K(o=-0.054,f=-0.77) USER MOD Single : A 19 TYR OH : rot -125:sc= 0.799 USER MOD Single : A 21 ASN : amide:sc= -0.452 K(o=-0.45,f=-3.3!) USER MOD Single : B 1 PHE N :NH3+ 165:sc= 0.264 (180deg=0.23) USER MOD Single : B 3 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.039) USER MOD Single : B 4 GLN : amide:sc= -6.59! C(o=-6.6!,f=-6.8!) USER MOD Single : B 5 HIS : no HD1:sc= -4.53! C(o=-4.5!,f=-11!) 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 -126:sc= 1.15 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.883 1.861 3.262 1.00 0.00 N ATOM 2 CA GLY A 1 -5.144 0.581 2.874 1.00 0.00 C ATOM 3 C GLY A 1 -3.898 0.672 2.061 1.00 0.00 C ATOM 4 O GLY A 1 -2.831 0.958 2.568 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.724 1.619 3.824 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.254 2.468 3.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.175 2.368 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.895 0.055 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.846 -0.049 2.327 1.00 0.00 H new ATOM 10 N LEU A 2 -3.998 0.440 0.782 1.00 0.00 N ATOM 11 CA LEU A 2 -2.788 0.520 -0.085 1.00 0.00 C ATOM 12 C LEU A 2 -3.036 1.522 -1.215 1.00 0.00 C ATOM 13 O LEU A 2 -2.277 1.610 -2.158 1.00 0.00 O ATOM 14 CB LEU A 2 -2.441 -0.857 -0.685 1.00 0.00 C ATOM 15 CG LEU A 2 -3.663 -1.794 -0.730 1.00 0.00 C ATOM 16 CD1 LEU A 2 -4.102 -2.159 0.691 1.00 0.00 C ATOM 17 CD2 LEU A 2 -4.822 -1.121 -1.474 1.00 0.00 C ATOM 0 H LEU A 2 -4.864 0.199 0.299 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.948 0.848 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.049 -0.724 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -1.651 -1.321 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.382 -2.704 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.966 -2.821 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.285 -2.664 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.368 -1.252 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.679 -1.794 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.098 -0.200 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.514 -0.889 -2.494 1.00 0.00 H new ATOM 29 N LEU A 3 -4.096 2.277 -1.123 1.00 0.00 N ATOM 30 CA LEU A 3 -4.398 3.273 -2.186 1.00 0.00 C ATOM 31 C LEU A 3 -4.095 4.673 -1.663 1.00 0.00 C ATOM 32 O LEU A 3 -3.307 5.407 -2.225 1.00 0.00 O ATOM 33 CB LEU A 3 -5.879 3.186 -2.567 1.00 0.00 C ATOM 34 CG LEU A 3 -6.369 1.743 -2.427 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.898 1.727 -2.398 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.874 0.921 -3.618 1.00 0.00 C ATOM 0 H LEU A 3 -4.767 2.246 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.785 3.065 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.467 3.843 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.021 3.530 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.982 1.314 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.249 0.700 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.252 2.315 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.284 2.154 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.222 -0.107 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.262 1.349 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.784 0.935 -3.642 1.00 0.00 H new ATOM 48 N GLU A 4 -4.718 5.039 -0.586 1.00 0.00 N ATOM 49 CA GLU A 4 -4.483 6.391 -0.003 1.00 0.00 C ATOM 50 C GLU A 4 -3.078 6.447 0.600 1.00 0.00 C ATOM 51 O GLU A 4 -2.577 7.502 0.933 1.00 0.00 O ATOM 52 CB GLU A 4 -5.518 6.663 1.089 1.00 0.00 C ATOM 53 CG GLU A 4 -5.918 8.139 1.055 1.00 0.00 C ATOM 54 CD GLU A 4 -7.248 8.326 1.787 1.00 0.00 C ATOM 55 OE1 GLU A 4 -7.694 7.380 2.415 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.799 9.412 1.709 1.00 0.00 O ATOM 0 H GLU A 4 -5.386 4.459 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.574 7.145 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.395 6.034 0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.107 6.409 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.144 8.747 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.008 8.478 0.023 1.00 0.00 H new ATOM 63 N GLN A 5 -2.436 5.319 0.743 1.00 0.00 N ATOM 64 CA GLN A 5 -1.063 5.311 1.323 1.00 0.00 C ATOM 65 C GLN A 5 -0.040 5.183 0.196 1.00 0.00 C ATOM 66 O GLN A 5 1.086 5.625 0.309 1.00 0.00 O ATOM 67 CB GLN A 5 -0.920 4.126 2.279 1.00 0.00 C ATOM 68 CG GLN A 5 0.058 4.490 3.399 1.00 0.00 C ATOM 69 CD GLN A 5 -0.694 5.204 4.524 1.00 0.00 C ATOM 70 OE1 GLN A 5 -1.393 6.169 4.287 1.00 0.00 O ATOM 71 NE2 GLN A 5 -0.579 4.767 5.748 1.00 0.00 N ATOM 0 H GLN A 5 -2.803 4.403 0.483 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.891 6.239 1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.891 3.865 2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.561 3.250 1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.538 3.590 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.848 5.133 3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.008 3.957 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.076 5.236 6.506 1.00 0.00 H new ATOM 80 N CYS A 6 -0.427 4.582 -0.890 1.00 0.00 N ATOM 81 CA CYS A 6 0.516 4.422 -2.033 1.00 0.00 C ATOM 82 C CYS A 6 0.203 5.468 -3.103 1.00 0.00 C ATOM 83 O CYS A 6 1.040 5.809 -3.915 1.00 0.00 O ATOM 84 CB CYS A 6 0.360 3.032 -2.638 1.00 0.00 C ATOM 85 SG CYS A 6 1.058 1.796 -1.513 1.00 0.00 S ATOM 0 H CYS A 6 -1.358 4.193 -1.039 1.00 0.00 H new ATOM 0 HA CYS A 6 1.537 4.553 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.694 2.820 -2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.865 2.986 -3.603 1.00 0.00 H new ATOM 90 N CYS A 7 -1.000 5.974 -3.114 1.00 0.00 N ATOM 91 CA CYS A 7 -1.370 6.993 -4.135 1.00 0.00 C ATOM 92 C CYS A 7 -1.204 8.389 -3.533 1.00 0.00 C ATOM 93 O CYS A 7 -0.644 9.277 -4.144 1.00 0.00 O ATOM 94 CB CYS A 7 -2.828 6.785 -4.553 1.00 0.00 C ATOM 95 SG CYS A 7 -2.983 7.015 -6.341 1.00 0.00 S ATOM 0 H CYS A 7 -1.742 5.725 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.725 6.893 -5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.158 5.784 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.472 7.490 -4.028 1.00 0.00 H new ATOM 100 N HIS A 8 -1.682 8.588 -2.335 1.00 0.00 N ATOM 101 CA HIS A 8 -1.546 9.923 -1.692 1.00 0.00 C ATOM 102 C HIS A 8 -0.103 10.114 -1.218 1.00 0.00 C ATOM 103 O HIS A 8 0.257 11.147 -0.690 1.00 0.00 O ATOM 104 CB HIS A 8 -2.496 10.010 -0.495 1.00 0.00 C ATOM 105 CG HIS A 8 -2.668 11.449 -0.091 1.00 0.00 C ATOM 106 ND1 HIS A 8 -3.553 12.279 -0.745 1.00 0.00 N ATOM 107 CD2 HIS A 8 -2.069 12.185 0.895 1.00 0.00 C ATOM 108 CE1 HIS A 8 -3.470 13.476 -0.149 1.00 0.00 C ATOM 109 NE2 HIS A 8 -2.575 13.468 0.861 1.00 0.00 N ATOM 0 H HIS A 8 -2.161 7.883 -1.775 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.797 10.703 -2.411 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.462 9.576 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.099 9.432 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.323 11.821 1.586 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.048 14.340 -0.441 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.325 14.247 1.471 1.00 0.00 H new ATOM 117 N SER A 9 0.728 9.124 -1.403 1.00 0.00 N ATOM 118 CA SER A 9 2.147 9.245 -0.965 1.00 0.00 C ATOM 119 C SER A 9 2.906 7.974 -1.354 1.00 0.00 C ATOM 120 O SER A 9 2.433 7.174 -2.137 1.00 0.00 O ATOM 121 CB SER A 9 2.197 9.426 0.553 1.00 0.00 C ATOM 122 OG SER A 9 2.265 8.150 1.176 1.00 0.00 O ATOM 0 H SER A 9 0.484 8.235 -1.840 1.00 0.00 H new ATOM 0 HA SER A 9 2.607 10.107 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.064 10.026 0.831 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.313 9.964 0.896 1.00 0.00 H new ATOM 0 HG SER A 9 2.299 8.262 2.149 1.00 0.00 H new ATOM 128 N ILE A 10 4.079 7.782 -0.816 1.00 0.00 N ATOM 129 CA ILE A 10 4.862 6.562 -1.159 1.00 0.00 C ATOM 130 C ILE A 10 4.693 5.521 -0.049 1.00 0.00 C ATOM 131 O ILE A 10 4.498 5.854 1.103 1.00 0.00 O ATOM 132 CB ILE A 10 6.342 6.929 -1.302 1.00 0.00 C ATOM 133 CG1 ILE A 10 6.554 7.668 -2.625 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.194 5.657 -1.290 1.00 0.00 C ATOM 135 CD1 ILE A 10 5.668 8.915 -2.661 1.00 0.00 C ATOM 0 H ILE A 10 4.528 8.416 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 10 4.501 6.148 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 10 6.638 7.569 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.601 7.950 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.313 7.013 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.246 5.923 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.043 5.127 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.900 5.014 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.819 9.442 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.622 8.621 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.931 9.572 -1.832 1.00 0.00 H new ATOM 147 N CYS A 11 4.765 4.263 -0.387 1.00 0.00 N ATOM 148 CA CYS A 11 4.609 3.205 0.650 1.00 0.00 C ATOM 149 C CYS A 11 5.802 2.251 0.591 1.00 0.00 C ATOM 150 O CYS A 11 6.587 2.281 -0.336 1.00 0.00 O ATOM 151 CB CYS A 11 3.315 2.423 0.401 1.00 0.00 C ATOM 152 SG CYS A 11 3.013 2.285 -1.381 1.00 0.00 S ATOM 0 H CYS A 11 4.925 3.922 -1.335 1.00 0.00 H new ATOM 0 HA CYS A 11 4.564 3.670 1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.389 1.430 0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.477 2.926 0.883 1.00 0.00 H new ATOM 157 N SER A 12 5.950 1.407 1.576 1.00 0.00 N ATOM 158 CA SER A 12 7.096 0.454 1.577 1.00 0.00 C ATOM 159 C SER A 12 6.593 -0.952 1.245 1.00 0.00 C ATOM 160 O SER A 12 5.526 -1.355 1.663 1.00 0.00 O ATOM 161 CB SER A 12 7.750 0.448 2.958 1.00 0.00 C ATOM 162 OG SER A 12 6.747 0.607 3.953 1.00 0.00 O ATOM 0 H SER A 12 5.327 1.336 2.380 1.00 0.00 H new ATOM 0 HA SER A 12 7.826 0.763 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.288 -0.487 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.481 1.253 3.030 1.00 0.00 H new ATOM 0 HG SER A 12 7.163 0.602 4.840 1.00 0.00 H new ATOM 168 N LEU A 13 7.355 -1.703 0.497 1.00 0.00 N ATOM 169 CA LEU A 13 6.920 -3.082 0.142 1.00 0.00 C ATOM 170 C LEU A 13 6.727 -3.901 1.420 1.00 0.00 C ATOM 171 O LEU A 13 6.040 -4.903 1.428 1.00 0.00 O ATOM 172 CB LEU A 13 7.986 -3.745 -0.734 1.00 0.00 C ATOM 173 CG LEU A 13 7.308 -4.521 -1.865 1.00 0.00 C ATOM 174 CD1 LEU A 13 7.221 -3.637 -3.111 1.00 0.00 C ATOM 175 CD2 LEU A 13 8.126 -5.774 -2.186 1.00 0.00 C ATOM 0 H LEU A 13 8.259 -1.421 0.117 1.00 0.00 H new ATOM 0 HA LEU A 13 5.979 -3.036 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.654 -2.989 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.598 -4.418 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 13 6.304 -4.811 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.738 -4.190 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.638 -2.744 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.225 -3.346 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.643 -6.327 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.130 -5.484 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.188 -6.405 -1.299 1.00 0.00 H new ATOM 187 N TYR A 14 7.329 -3.484 2.501 1.00 0.00 N ATOM 188 CA TYR A 14 7.177 -4.240 3.776 1.00 0.00 C ATOM 189 C TYR A 14 5.731 -4.143 4.255 1.00 0.00 C ATOM 190 O TYR A 14 5.091 -5.133 4.553 1.00 0.00 O ATOM 191 CB TYR A 14 8.108 -3.649 4.838 1.00 0.00 C ATOM 192 CG TYR A 14 8.236 -4.614 5.992 1.00 0.00 C ATOM 193 CD1 TYR A 14 8.887 -5.842 5.810 1.00 0.00 C ATOM 194 CD2 TYR A 14 7.703 -4.284 7.245 1.00 0.00 C ATOM 195 CE1 TYR A 14 9.006 -6.738 6.880 1.00 0.00 C ATOM 196 CE2 TYR A 14 7.822 -5.180 8.316 1.00 0.00 C ATOM 197 CZ TYR A 14 8.473 -6.407 8.134 1.00 0.00 C ATOM 198 OH TYR A 14 8.590 -7.290 9.188 1.00 0.00 O ATOM 0 H TYR A 14 7.919 -2.654 2.556 1.00 0.00 H new ATOM 0 HA TYR A 14 7.436 -5.286 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.089 -3.450 4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.715 -2.695 5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.297 -6.097 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.200 -3.339 7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.508 -7.684 6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.412 -4.924 9.282 1.00 0.00 H new ATOM 0 HH TYR A 14 8.168 -6.906 9.985 1.00 0.00 H new ATOM 208 N GLN A 15 5.214 -2.954 4.325 1.00 0.00 N ATOM 209 CA GLN A 15 3.807 -2.774 4.781 1.00 0.00 C ATOM 210 C GLN A 15 2.855 -3.193 3.660 1.00 0.00 C ATOM 211 O GLN A 15 1.685 -3.435 3.883 1.00 0.00 O ATOM 212 CB GLN A 15 3.568 -1.303 5.132 1.00 0.00 C ATOM 213 CG GLN A 15 3.137 -1.190 6.595 1.00 0.00 C ATOM 214 CD GLN A 15 2.754 0.258 6.904 1.00 0.00 C ATOM 215 OE1 GLN A 15 2.879 1.125 6.062 1.00 0.00 O ATOM 216 NE2 GLN A 15 2.289 0.559 8.085 1.00 0.00 N ATOM 0 H GLN A 15 5.705 -2.092 4.086 1.00 0.00 H new ATOM 0 HA GLN A 15 3.627 -3.390 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.477 -0.726 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.800 -0.883 4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.291 -1.850 6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.947 -1.511 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.184 -0.168 8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.031 1.522 8.301 1.00 0.00 H new ATOM 225 N LEU A 16 3.350 -3.286 2.458 1.00 0.00 N ATOM 226 CA LEU A 16 2.478 -3.692 1.324 1.00 0.00 C ATOM 227 C LEU A 16 2.262 -5.201 1.383 1.00 0.00 C ATOM 228 O LEU A 16 1.268 -5.717 0.910 1.00 0.00 O ATOM 229 CB LEU A 16 3.154 -3.323 0.003 1.00 0.00 C ATOM 230 CG LEU A 16 2.403 -3.982 -1.154 1.00 0.00 C ATOM 231 CD1 LEU A 16 2.353 -3.023 -2.344 1.00 0.00 C ATOM 232 CD2 LEU A 16 3.129 -5.266 -1.564 1.00 0.00 C ATOM 0 H LEU A 16 4.322 -3.098 2.213 1.00 0.00 H new ATOM 0 HA LEU A 16 1.519 -3.179 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.162 -2.240 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.194 -3.651 0.010 1.00 0.00 H new ATOM 0 HG LEU A 16 1.387 -4.221 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.817 -3.494 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.838 -2.108 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.368 -2.783 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.595 -5.738 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.144 -5.025 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.165 -5.950 -0.716 1.00 0.00 H new ATOM 244 N GLU A 17 3.185 -5.913 1.967 1.00 0.00 N ATOM 245 CA GLU A 17 3.030 -7.388 2.061 1.00 0.00 C ATOM 246 C GLU A 17 1.848 -7.705 2.976 1.00 0.00 C ATOM 247 O GLU A 17 1.300 -8.790 2.952 1.00 0.00 O ATOM 248 CB GLU A 17 4.306 -8.003 2.642 1.00 0.00 C ATOM 249 CG GLU A 17 4.215 -9.529 2.571 1.00 0.00 C ATOM 250 CD GLU A 17 4.150 -10.104 3.988 1.00 0.00 C ATOM 251 OE1 GLU A 17 5.166 -10.083 4.662 1.00 0.00 O ATOM 252 OE2 GLU A 17 3.084 -10.556 4.374 1.00 0.00 O ATOM 0 H GLU A 17 4.038 -5.537 2.382 1.00 0.00 H new ATOM 0 HA GLU A 17 2.852 -7.804 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.176 -7.654 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.438 -7.684 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.331 -9.825 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.080 -9.931 2.043 1.00 0.00 H new ATOM 259 N ASN A 18 1.449 -6.760 3.785 1.00 0.00 N ATOM 260 CA ASN A 18 0.302 -7.000 4.705 1.00 0.00 C ATOM 261 C ASN A 18 -1.011 -6.903 3.925 1.00 0.00 C ATOM 262 O ASN A 18 -2.083 -7.029 4.481 1.00 0.00 O ATOM 263 CB ASN A 18 0.313 -5.946 5.813 1.00 0.00 C ATOM 264 CG ASN A 18 -0.156 -6.578 7.125 1.00 0.00 C ATOM 265 OD1 ASN A 18 -0.893 -7.544 7.119 1.00 0.00 O ATOM 266 ND2 ASN A 18 0.244 -6.070 8.259 1.00 0.00 N ATOM 0 H ASN A 18 1.869 -5.832 3.848 1.00 0.00 H new ATOM 0 HA ASN A 18 0.390 -7.994 5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.317 -5.539 5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.338 -5.114 5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.062 -6.484 9.140 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.863 -5.259 8.265 1.00 0.00 H new ATOM 273 N TYR A 19 -0.939 -6.683 2.640 1.00 0.00 N ATOM 274 CA TYR A 19 -2.187 -6.580 1.835 1.00 0.00 C ATOM 275 C TYR A 19 -2.388 -7.871 1.038 1.00 0.00 C ATOM 276 O TYR A 19 -3.392 -8.055 0.379 1.00 0.00 O ATOM 277 CB TYR A 19 -2.076 -5.392 0.878 1.00 0.00 C ATOM 278 CG TYR A 19 -1.981 -4.115 1.679 1.00 0.00 C ATOM 279 CD1 TYR A 19 -2.822 -3.917 2.781 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.050 -3.130 1.322 1.00 0.00 C ATOM 281 CE1 TYR A 19 -2.734 -2.735 3.528 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.961 -1.947 2.069 1.00 0.00 C ATOM 283 CZ TYR A 19 -1.803 -1.751 3.172 1.00 0.00 C ATOM 284 OH TYR A 19 -1.715 -0.587 3.910 1.00 0.00 O ATOM 0 H TYR A 19 -0.072 -6.571 2.115 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.040 -6.431 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.197 -5.503 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.944 -5.358 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.539 -4.676 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.402 -3.282 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.383 -2.583 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.244 -1.187 1.795 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.829 0.185 3.318 1.00 0.00 H new ATOM 294 N CYS A 20 -1.442 -8.771 1.097 1.00 0.00 N ATOM 295 CA CYS A 20 -1.582 -10.050 0.345 1.00 0.00 C ATOM 296 C CYS A 20 -1.916 -11.179 1.323 1.00 0.00 C ATOM 297 O CYS A 20 -1.318 -11.298 2.374 1.00 0.00 O ATOM 298 CB CYS A 20 -0.268 -10.367 -0.372 1.00 0.00 C ATOM 299 SG CYS A 20 1.002 -10.786 0.847 1.00 0.00 S ATOM 0 H CYS A 20 -0.580 -8.675 1.633 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.382 -9.956 -0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.410 -11.197 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.051 -9.509 -0.964 1.00 0.00 H new ATOM 304 N ASN A 21 -2.865 -12.008 0.989 1.00 0.00 N ATOM 305 CA ASN A 21 -3.234 -13.126 1.902 1.00 0.00 C ATOM 306 C ASN A 21 -1.962 -13.791 2.433 1.00 0.00 C ATOM 307 O ASN A 21 -2.043 -14.443 3.460 1.00 0.00 O ATOM 308 CB ASN A 21 -4.068 -14.156 1.139 1.00 0.00 C ATOM 309 CG ASN A 21 -5.164 -14.704 2.055 1.00 0.00 C ATOM 310 OD1 ASN A 21 -5.495 -14.098 3.054 1.00 0.00 O ATOM 311 ND2 ASN A 21 -5.744 -15.833 1.754 1.00 0.00 N ATOM 312 OXT ASN A 21 -0.929 -13.636 1.803 1.00 0.00 O ATOM 0 H ASN A 21 -3.402 -11.960 0.123 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.816 -12.736 2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.513 -13.697 0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.431 -14.969 0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.476 -16.207 2.358 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.466 -16.342 0.915 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 12.825 -0.313 -0.365 1.00 0.00 N ATOM 321 CA PHE B 1 12.617 0.059 -1.794 1.00 0.00 C ATOM 322 C PHE B 1 12.818 1.566 -1.964 1.00 0.00 C ATOM 323 O PHE B 1 13.287 2.244 -1.071 1.00 0.00 O ATOM 324 CB PHE B 1 11.194 -0.317 -2.217 1.00 0.00 C ATOM 325 CG PHE B 1 11.131 -1.793 -2.530 1.00 0.00 C ATOM 326 CD1 PHE B 1 11.146 -2.731 -1.489 1.00 0.00 C ATOM 327 CD2 PHE B 1 11.055 -2.224 -3.861 1.00 0.00 C ATOM 328 CE1 PHE B 1 11.085 -4.100 -1.780 1.00 0.00 C ATOM 329 CE2 PHE B 1 10.994 -3.594 -4.151 1.00 0.00 C ATOM 330 CZ PHE B 1 11.009 -4.532 -3.111 1.00 0.00 C ATOM 0 H1 PHE B 1 12.448 -1.267 -0.196 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.842 -0.299 -0.147 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.330 0.368 0.246 1.00 0.00 H new ATOM 0 HA PHE B 1 13.335 -0.475 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.491 -0.074 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.899 0.263 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.205 -2.399 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.043 -1.501 -4.663 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.097 -4.823 -0.978 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.935 -3.926 -5.177 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.962 -5.588 -3.335 1.00 0.00 H new ATOM 342 N VAL B 2 12.467 2.096 -3.103 1.00 0.00 N ATOM 343 CA VAL B 2 12.639 3.559 -3.330 1.00 0.00 C ATOM 344 C VAL B 2 11.521 4.068 -4.243 1.00 0.00 C ATOM 345 O VAL B 2 11.169 3.436 -5.219 1.00 0.00 O ATOM 346 CB VAL B 2 13.994 3.818 -3.989 1.00 0.00 C ATOM 347 CG1 VAL B 2 15.086 3.066 -3.227 1.00 0.00 C ATOM 348 CG2 VAL B 2 13.955 3.327 -5.438 1.00 0.00 C ATOM 0 H VAL B 2 12.068 1.579 -3.887 1.00 0.00 H new ATOM 0 HA VAL B 2 12.595 4.082 -2.375 1.00 0.00 H new ATOM 0 HB VAL B 2 14.209 4.886 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.052 3.251 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.113 3.413 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.873 1.997 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.920 3.510 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.740 2.258 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.177 3.862 -5.983 1.00 0.00 H new ATOM 358 N ASN B 3 10.959 5.204 -3.934 1.00 0.00 N ATOM 359 CA ASN B 3 9.863 5.749 -4.786 1.00 0.00 C ATOM 360 C ASN B 3 8.874 4.631 -5.121 1.00 0.00 C ATOM 361 O ASN B 3 8.583 4.371 -6.271 1.00 0.00 O ATOM 362 CB ASN B 3 10.455 6.313 -6.080 1.00 0.00 C ATOM 363 CG ASN B 3 10.917 7.752 -5.846 1.00 0.00 C ATOM 364 OD1 ASN B 3 10.389 8.675 -6.434 1.00 0.00 O ATOM 365 ND2 ASN B 3 11.887 7.985 -5.005 1.00 0.00 N ATOM 0 H ASN B 3 11.210 5.778 -3.129 1.00 0.00 H new ATOM 0 HA ASN B 3 9.345 6.543 -4.248 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.294 5.699 -6.406 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.711 6.284 -6.876 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.202 8.941 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.331 7.211 -4.511 1.00 0.00 H new ATOM 372 N GLN B 4 8.358 3.967 -4.124 1.00 0.00 N ATOM 373 CA GLN B 4 7.389 2.865 -4.385 1.00 0.00 C ATOM 374 C GLN B 4 5.985 3.448 -4.565 1.00 0.00 C ATOM 375 O GLN B 4 5.086 3.176 -3.794 1.00 0.00 O ATOM 376 CB GLN B 4 7.389 1.894 -3.202 1.00 0.00 C ATOM 377 CG GLN B 4 6.907 0.519 -3.669 1.00 0.00 C ATOM 378 CD GLN B 4 8.109 -0.328 -4.092 1.00 0.00 C ATOM 379 OE1 GLN B 4 8.845 -0.818 -3.259 1.00 0.00 O ATOM 380 NE2 GLN B 4 8.339 -0.523 -5.362 1.00 0.00 N ATOM 0 H GLN B 4 8.565 4.139 -3.140 1.00 0.00 H new ATOM 0 HA GLN B 4 7.680 2.335 -5.292 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.392 1.816 -2.782 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.740 2.269 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.362 0.021 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.215 0.629 -4.504 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.721 -0.112 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.137 -1.087 -5.655 1.00 0.00 H new ATOM 389 N HIS B 5 5.790 4.248 -5.579 1.00 0.00 N ATOM 390 CA HIS B 5 4.444 4.845 -5.808 1.00 0.00 C ATOM 391 C HIS B 5 3.478 3.754 -6.278 1.00 0.00 C ATOM 392 O HIS B 5 3.558 3.283 -7.395 1.00 0.00 O ATOM 393 CB HIS B 5 4.539 5.932 -6.882 1.00 0.00 C ATOM 394 CG HIS B 5 5.532 6.977 -6.458 1.00 0.00 C ATOM 395 ND1 HIS B 5 6.738 6.634 -5.884 1.00 0.00 N ATOM 396 CD2 HIS B 5 5.489 8.342 -6.534 1.00 0.00 C ATOM 397 CE1 HIS B 5 7.384 7.782 -5.631 1.00 0.00 C ATOM 398 NE2 HIS B 5 6.658 8.853 -6.013 1.00 0.00 N ATOM 0 H HIS B 5 6.504 4.513 -6.257 1.00 0.00 H new ATOM 0 HA HIS B 5 4.080 5.283 -4.879 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.842 5.492 -7.832 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.561 6.388 -7.039 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.673 8.924 -6.936 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.363 7.841 -5.178 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.920 9.836 -5.933 1.00 0.00 H new ATOM 406 N LEU B 6 2.569 3.348 -5.435 1.00 0.00 N ATOM 407 CA LEU B 6 1.604 2.290 -5.832 1.00 0.00 C ATOM 408 C LEU B 6 0.200 2.894 -5.911 1.00 0.00 C ATOM 409 O LEU B 6 -0.112 3.848 -5.225 1.00 0.00 O ATOM 410 CB LEU B 6 1.630 1.182 -4.778 1.00 0.00 C ATOM 411 CG LEU B 6 2.593 0.075 -5.198 1.00 0.00 C ATOM 412 CD1 LEU B 6 3.892 0.698 -5.708 1.00 0.00 C ATOM 413 CD2 LEU B 6 2.894 -0.802 -3.983 1.00 0.00 C ATOM 0 H LEU B 6 2.454 3.706 -4.487 1.00 0.00 H new ATOM 0 HA LEU B 6 1.874 1.879 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.935 1.593 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.629 0.772 -4.647 1.00 0.00 H new ATOM 0 HG LEU B 6 2.146 -0.526 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.581 -0.092 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.677 1.337 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.346 1.293 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.582 -1.598 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.348 -0.195 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.967 -1.240 -3.612 1.00 0.00 H new ATOM 425 N CYS B 7 -0.651 2.354 -6.740 1.00 0.00 N ATOM 426 CA CYS B 7 -2.030 2.910 -6.851 1.00 0.00 C ATOM 427 C CYS B 7 -2.850 2.069 -7.828 1.00 0.00 C ATOM 428 O CYS B 7 -4.036 1.872 -7.652 1.00 0.00 O ATOM 429 CB CYS B 7 -1.956 4.353 -7.355 1.00 0.00 C ATOM 430 SG CYS B 7 -3.527 5.193 -7.026 1.00 0.00 S ATOM 0 H CYS B 7 -0.453 1.555 -7.343 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.508 2.889 -5.872 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.140 4.880 -6.861 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.742 4.365 -8.424 1.00 0.00 H new ATOM 435 N GLY B 8 -2.227 1.571 -8.853 1.00 0.00 N ATOM 436 CA GLY B 8 -2.964 0.738 -9.846 1.00 0.00 C ATOM 437 C GLY B 8 -2.449 -0.699 -9.783 1.00 0.00 C ATOM 438 O GLY B 8 -2.172 -1.222 -8.722 1.00 0.00 O ATOM 0 H GLY B 8 -1.235 1.703 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.033 0.763 -9.636 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.827 1.142 -10.849 1.00 0.00 H new ATOM 442 N SER B 9 -2.309 -1.342 -10.910 1.00 0.00 N ATOM 443 CA SER B 9 -1.802 -2.743 -10.903 1.00 0.00 C ATOM 444 C SER B 9 -0.471 -2.791 -10.154 1.00 0.00 C ATOM 445 O SER B 9 -0.035 -3.832 -9.705 1.00 0.00 O ATOM 446 CB SER B 9 -1.601 -3.222 -12.342 1.00 0.00 C ATOM 447 OG SER B 9 -0.653 -4.282 -12.355 1.00 0.00 O ATOM 0 H SER B 9 -2.523 -0.960 -11.831 1.00 0.00 H new ATOM 0 HA SER B 9 -2.524 -3.392 -10.407 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.549 -3.561 -12.761 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.253 -2.399 -12.966 1.00 0.00 H new ATOM 0 HG SER B 9 -0.522 -4.593 -13.275 1.00 0.00 H new ATOM 453 N ASP B 10 0.173 -1.665 -10.008 1.00 0.00 N ATOM 454 CA ASP B 10 1.466 -1.634 -9.283 1.00 0.00 C ATOM 455 C ASP B 10 1.276 -2.287 -7.917 1.00 0.00 C ATOM 456 O ASP B 10 2.200 -2.814 -7.330 1.00 0.00 O ATOM 457 CB ASP B 10 1.911 -0.181 -9.100 1.00 0.00 C ATOM 458 CG ASP B 10 1.576 0.627 -10.357 1.00 0.00 C ATOM 459 OD1 ASP B 10 0.416 0.962 -10.529 1.00 0.00 O ATOM 460 OD2 ASP B 10 2.486 0.897 -11.124 1.00 0.00 O ATOM 0 H ASP B 10 -0.146 -0.763 -10.363 1.00 0.00 H new ATOM 0 HA ASP B 10 2.226 -2.173 -9.849 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.414 0.255 -8.233 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.983 -0.141 -8.906 1.00 0.00 H new ATOM 465 N LEU B 11 0.074 -2.265 -7.413 1.00 0.00 N ATOM 466 CA LEU B 11 -0.196 -2.890 -6.093 1.00 0.00 C ATOM 467 C LEU B 11 -0.182 -4.409 -6.250 1.00 0.00 C ATOM 468 O LEU B 11 0.567 -5.103 -5.593 1.00 0.00 O ATOM 469 CB LEU B 11 -1.569 -2.442 -5.593 1.00 0.00 C ATOM 470 CG LEU B 11 -1.406 -1.329 -4.558 1.00 0.00 C ATOM 471 CD1 LEU B 11 -2.781 -0.774 -4.192 1.00 0.00 C ATOM 472 CD2 LEU B 11 -0.740 -1.890 -3.301 1.00 0.00 C ATOM 0 H LEU B 11 -0.736 -1.838 -7.863 1.00 0.00 H new ATOM 0 HA LEU B 11 0.567 -2.587 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.173 -2.088 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.099 -3.286 -5.152 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.786 -0.535 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.668 0.020 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.261 -0.374 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.396 -1.572 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.625 -1.095 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.360 -2.684 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.240 -2.292 -3.557 1.00 0.00 H new ATOM 484 N VAL B 12 -0.998 -4.933 -7.125 1.00 0.00 N ATOM 485 CA VAL B 12 -1.015 -6.408 -7.322 1.00 0.00 C ATOM 486 C VAL B 12 0.366 -6.851 -7.782 1.00 0.00 C ATOM 487 O VAL B 12 0.718 -8.007 -7.689 1.00 0.00 O ATOM 488 CB VAL B 12 -2.053 -6.780 -8.377 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.375 -6.103 -8.037 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.579 -6.308 -9.753 1.00 0.00 C ATOM 0 H VAL B 12 -1.649 -4.406 -7.708 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.274 -6.904 -6.386 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.186 -7.862 -8.393 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.121 -6.365 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.713 -6.437 -7.056 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.237 -5.022 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.322 -6.575 -10.505 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.447 -5.226 -9.741 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.630 -6.787 -9.995 1.00 0.00 H new ATOM 500 N GLU B 13 1.160 -5.930 -8.258 1.00 0.00 N ATOM 501 CA GLU B 13 2.528 -6.292 -8.699 1.00 0.00 C ATOM 502 C GLU B 13 3.400 -6.377 -7.455 1.00 0.00 C ATOM 503 O GLU B 13 3.977 -7.401 -7.154 1.00 0.00 O ATOM 504 CB GLU B 13 3.072 -5.217 -9.643 1.00 0.00 C ATOM 505 CG GLU B 13 3.640 -5.882 -10.897 1.00 0.00 C ATOM 506 CD GLU B 13 4.382 -4.840 -11.736 1.00 0.00 C ATOM 507 OE1 GLU B 13 4.144 -3.662 -11.526 1.00 0.00 O ATOM 508 OE2 GLU B 13 5.174 -5.238 -12.573 1.00 0.00 O ATOM 0 H GLU B 13 0.916 -4.945 -8.359 1.00 0.00 H new ATOM 0 HA GLU B 13 2.522 -7.243 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.278 -4.521 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.847 -4.637 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.317 -6.689 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.835 -6.328 -11.481 1.00 0.00 H new ATOM 515 N ALA B 14 3.465 -5.315 -6.703 1.00 0.00 N ATOM 516 CA ALA B 14 4.263 -5.350 -5.456 1.00 0.00 C ATOM 517 C ALA B 14 3.782 -6.542 -4.631 1.00 0.00 C ATOM 518 O ALA B 14 4.538 -7.172 -3.914 1.00 0.00 O ATOM 519 CB ALA B 14 4.041 -4.054 -4.678 1.00 0.00 C ATOM 0 H ALA B 14 3.000 -4.429 -6.900 1.00 0.00 H new ATOM 0 HA ALA B 14 5.326 -5.447 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.627 -4.076 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.353 -3.206 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.984 -3.954 -4.432 1.00 0.00 H new ATOM 525 N LEU B 15 2.521 -6.861 -4.746 1.00 0.00 N ATOM 526 CA LEU B 15 1.968 -8.016 -3.994 1.00 0.00 C ATOM 527 C LEU B 15 2.237 -9.296 -4.781 1.00 0.00 C ATOM 528 O LEU B 15 2.633 -10.307 -4.234 1.00 0.00 O ATOM 529 CB LEU B 15 0.459 -7.827 -3.800 1.00 0.00 C ATOM 530 CG LEU B 15 0.192 -6.493 -3.099 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.179 -5.954 -3.517 1.00 0.00 C ATOM 532 CD2 LEU B 15 0.211 -6.703 -1.583 1.00 0.00 C ATOM 0 H LEU B 15 1.849 -6.366 -5.333 1.00 0.00 H new ATOM 0 HA LEU B 15 2.444 -8.084 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.047 -7.849 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.053 -8.647 -3.208 1.00 0.00 H new ATOM 0 HG LEU B 15 0.964 -5.777 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.365 -5.004 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.197 -5.804 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.952 -6.670 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.021 -5.754 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.561 -7.421 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.186 -7.084 -1.281 1.00 0.00 H new ATOM 544 N TYR B 16 2.028 -9.254 -6.065 1.00 0.00 N ATOM 545 CA TYR B 16 2.274 -10.461 -6.911 1.00 0.00 C ATOM 546 C TYR B 16 3.562 -11.162 -6.468 1.00 0.00 C ATOM 547 O TYR B 16 3.724 -12.351 -6.655 1.00 0.00 O ATOM 548 CB TYR B 16 2.432 -10.035 -8.372 1.00 0.00 C ATOM 549 CG TYR B 16 1.339 -10.659 -9.205 1.00 0.00 C ATOM 550 CD1 TYR B 16 0.941 -11.981 -8.967 1.00 0.00 C ATOM 551 CD2 TYR B 16 0.722 -9.915 -10.222 1.00 0.00 C ATOM 552 CE1 TYR B 16 -0.072 -12.559 -9.743 1.00 0.00 C ATOM 553 CE2 TYR B 16 -0.291 -10.493 -10.996 1.00 0.00 C ATOM 554 CZ TYR B 16 -0.688 -11.815 -10.758 1.00 0.00 C ATOM 555 OH TYR B 16 -1.685 -12.385 -11.523 1.00 0.00 O ATOM 0 H TYR B 16 1.696 -8.433 -6.571 1.00 0.00 H new ATOM 0 HA TYR B 16 1.430 -11.142 -6.803 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.387 -8.949 -8.451 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.408 -10.342 -8.747 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.415 -12.555 -8.185 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.029 -8.896 -10.408 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.378 -13.578 -9.559 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.767 -9.919 -11.777 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.006 -11.733 -12.181 1.00 0.00 H new ATOM 565 N LEU B 17 4.488 -10.434 -5.905 1.00 0.00 N ATOM 566 CA LEU B 17 5.772 -11.065 -5.481 1.00 0.00 C ATOM 567 C LEU B 17 5.794 -11.294 -3.970 1.00 0.00 C ATOM 568 O LEU B 17 5.943 -12.408 -3.510 1.00 0.00 O ATOM 569 CB LEU B 17 6.964 -10.175 -5.862 1.00 0.00 C ATOM 570 CG LEU B 17 6.501 -8.802 -6.359 1.00 0.00 C ATOM 571 CD1 LEU B 17 7.698 -7.851 -6.408 1.00 0.00 C ATOM 572 CD2 LEU B 17 5.914 -8.946 -7.765 1.00 0.00 C ATOM 0 H LEU B 17 4.412 -9.434 -5.721 1.00 0.00 H new ATOM 0 HA LEU B 17 5.851 -12.024 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.617 -10.050 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.552 -10.665 -6.638 1.00 0.00 H new ATOM 0 HG LEU B 17 5.744 -8.404 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.371 -6.873 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.125 -7.752 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.452 -8.249 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.583 -7.971 -8.123 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.675 -9.340 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.065 -9.629 -7.737 1.00 0.00 H new ATOM 584 N VAL B 18 5.680 -10.243 -3.200 1.00 0.00 N ATOM 585 CA VAL B 18 5.724 -10.387 -1.709 1.00 0.00 C ATOM 586 C VAL B 18 5.051 -11.687 -1.276 1.00 0.00 C ATOM 587 O VAL B 18 5.579 -12.444 -0.484 1.00 0.00 O ATOM 588 CB VAL B 18 5.000 -9.218 -1.046 1.00 0.00 C ATOM 589 CG1 VAL B 18 5.594 -7.896 -1.534 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.517 -9.268 -1.395 1.00 0.00 C ATOM 0 H VAL B 18 5.558 -9.288 -3.538 1.00 0.00 H new ATOM 0 HA VAL B 18 6.770 -10.398 -1.402 1.00 0.00 H new ATOM 0 HB VAL B 18 5.121 -9.290 0.035 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.073 -7.065 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.653 -7.856 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.480 -7.823 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.003 -8.432 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.395 -9.202 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.091 -10.206 -1.039 1.00 0.00 H new ATOM 600 N CYS B 19 3.895 -11.948 -1.795 1.00 0.00 N ATOM 601 CA CYS B 19 3.172 -13.195 -1.432 1.00 0.00 C ATOM 602 C CYS B 19 3.329 -14.202 -2.568 1.00 0.00 C ATOM 603 O CYS B 19 3.560 -15.374 -2.346 1.00 0.00 O ATOM 604 CB CYS B 19 1.691 -12.880 -1.223 1.00 0.00 C ATOM 605 SG CYS B 19 1.345 -12.754 0.549 1.00 0.00 S ATOM 0 H CYS B 19 3.411 -11.348 -2.463 1.00 0.00 H new ATOM 0 HA CYS B 19 3.582 -13.611 -0.512 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.433 -11.946 -1.722 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.076 -13.661 -1.670 1.00 0.00 H new ATOM 610 N GLY B 20 3.213 -13.750 -3.784 1.00 0.00 N ATOM 611 CA GLY B 20 3.366 -14.673 -4.938 1.00 0.00 C ATOM 612 C GLY B 20 1.994 -14.999 -5.530 1.00 0.00 C ATOM 613 O GLY B 20 1.119 -14.159 -5.596 1.00 0.00 O ATOM 0 H GLY B 20 3.018 -12.779 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.000 -14.217 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.861 -15.590 -4.618 1.00 0.00 H new ATOM 617 N GLU B 21 1.800 -16.216 -5.963 1.00 0.00 N ATOM 618 CA GLU B 21 0.486 -16.597 -6.555 1.00 0.00 C ATOM 619 C GLU B 21 -0.489 -16.981 -5.440 1.00 0.00 C ATOM 620 O GLU B 21 -1.545 -17.527 -5.689 1.00 0.00 O ATOM 621 CB GLU B 21 0.678 -17.787 -7.498 1.00 0.00 C ATOM 622 CG GLU B 21 -0.561 -17.942 -8.383 1.00 0.00 C ATOM 623 CD GLU B 21 -1.247 -19.274 -8.073 1.00 0.00 C ATOM 624 OE1 GLU B 21 -1.316 -19.625 -6.906 1.00 0.00 O ATOM 625 OE2 GLU B 21 -1.691 -19.921 -9.007 1.00 0.00 O ATOM 0 H GLU B 21 2.495 -16.962 -5.932 1.00 0.00 H new ATOM 0 HA GLU B 21 0.082 -15.752 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.563 -17.636 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.843 -18.698 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.251 -17.116 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.277 -17.903 -9.435 1.00 0.00 H new ATOM 632 N ARG B 22 -0.146 -16.698 -4.213 1.00 0.00 N ATOM 633 CA ARG B 22 -1.060 -17.048 -3.089 1.00 0.00 C ATOM 634 C ARG B 22 -2.359 -16.252 -3.224 1.00 0.00 C ATOM 635 O ARG B 22 -3.332 -16.513 -2.544 1.00 0.00 O ATOM 636 CB ARG B 22 -0.386 -16.705 -1.759 1.00 0.00 C ATOM 637 CG ARG B 22 -0.697 -17.796 -0.731 1.00 0.00 C ATOM 638 CD ARG B 22 -2.053 -17.514 -0.082 1.00 0.00 C ATOM 639 NE ARG B 22 -1.944 -17.692 1.394 1.00 0.00 N ATOM 640 CZ ARG B 22 -3.019 -17.883 2.109 1.00 0.00 C ATOM 641 NH1 ARG B 22 -3.940 -18.709 1.694 1.00 0.00 N ATOM 642 NH2 ARG B 22 -3.173 -17.248 3.239 1.00 0.00 N ATOM 0 H ARG B 22 0.724 -16.241 -3.941 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.283 -18.115 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.692 -16.618 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.740 -15.739 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.709 -18.773 -1.214 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.083 -17.827 0.030 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -2.375 -16.499 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.809 -18.188 -0.486 1.00 0.00 H new ATOM 0 HE ARG B 22 -1.030 -17.665 1.845 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -3.820 -19.205 0.811 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -4.780 -18.858 2.253 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.453 -16.602 3.563 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.013 -17.397 3.798 1.00 0.00 H new ATOM 656 N GLY B 23 -2.385 -15.281 -4.097 1.00 0.00 N ATOM 657 CA GLY B 23 -3.622 -14.470 -4.276 1.00 0.00 C ATOM 658 C GLY B 23 -3.630 -13.324 -3.263 1.00 0.00 C ATOM 659 O GLY B 23 -4.231 -13.420 -2.211 1.00 0.00 O ATOM 0 H GLY B 23 -1.602 -15.015 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.666 -14.074 -5.290 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.504 -15.096 -4.140 1.00 0.00 H new ATOM 663 N PHE B 24 -2.967 -12.243 -3.569 1.00 0.00 N ATOM 664 CA PHE B 24 -2.936 -11.099 -2.622 1.00 0.00 C ATOM 665 C PHE B 24 -4.365 -10.709 -2.242 1.00 0.00 C ATOM 666 O PHE B 24 -5.314 -11.394 -2.567 1.00 0.00 O ATOM 667 CB PHE B 24 -2.232 -9.911 -3.279 1.00 0.00 C ATOM 668 CG PHE B 24 -2.494 -9.904 -4.768 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.732 -9.473 -5.262 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.494 -10.325 -5.654 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.970 -9.464 -6.642 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.732 -10.316 -7.035 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.972 -9.886 -7.529 1.00 0.00 C ATOM 0 H PHE B 24 -2.446 -12.105 -4.435 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.392 -11.387 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.585 -8.980 -2.836 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.160 -9.966 -3.092 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.503 -9.148 -4.579 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.539 -10.657 -5.273 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.924 -9.131 -7.023 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.961 -10.640 -7.718 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.157 -9.880 -8.593 1.00 0.00 H new ATOM 683 N PHE B 25 -4.528 -9.615 -1.549 1.00 0.00 N ATOM 684 CA PHE B 25 -5.897 -9.190 -1.145 1.00 0.00 C ATOM 685 C PHE B 25 -6.209 -7.810 -1.727 1.00 0.00 C ATOM 686 O PHE B 25 -7.241 -7.233 -1.452 1.00 0.00 O ATOM 687 CB PHE B 25 -5.979 -9.127 0.383 1.00 0.00 C ATOM 688 CG PHE B 25 -7.413 -9.312 0.834 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.463 -9.236 -0.093 1.00 0.00 C ATOM 690 CD2 PHE B 25 -7.690 -9.560 2.185 1.00 0.00 C ATOM 691 CE1 PHE B 25 -9.788 -9.407 0.332 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.015 -9.730 2.610 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.063 -9.654 1.682 1.00 0.00 C ATOM 0 H PHE B 25 -3.774 -8.999 -1.246 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.622 -9.910 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.349 -9.901 0.821 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.599 -8.168 0.736 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.251 -9.046 -1.135 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.882 -9.620 2.899 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.596 -9.348 -0.382 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.228 -9.919 3.652 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.084 -9.786 2.009 1.00 0.00 H new ATOM 703 N TYR B 26 -5.330 -7.271 -2.525 1.00 0.00 N ATOM 704 CA TYR B 26 -5.597 -5.927 -3.111 1.00 0.00 C ATOM 705 C TYR B 26 -7.026 -5.888 -3.637 1.00 0.00 C ATOM 706 O TYR B 26 -7.707 -6.892 -3.715 1.00 0.00 O ATOM 707 CB TYR B 26 -4.615 -5.652 -4.251 1.00 0.00 C ATOM 708 CG TYR B 26 -5.008 -4.412 -5.019 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.833 -3.145 -4.444 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.540 -4.528 -6.309 1.00 0.00 C ATOM 711 CE1 TYR B 26 -5.194 -1.996 -5.159 1.00 0.00 C ATOM 712 CE2 TYR B 26 -5.902 -3.378 -7.024 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.729 -2.112 -6.449 1.00 0.00 C ATOM 714 OH TYR B 26 -6.084 -0.981 -7.154 1.00 0.00 O ATOM 0 H TYR B 26 -4.444 -7.699 -2.796 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.469 -5.162 -2.345 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.610 -5.531 -3.848 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.587 -6.508 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.420 -3.055 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.671 -5.504 -6.753 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.060 -1.020 -4.716 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.314 -3.468 -8.018 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.013 -1.061 -7.455 1.00 0.00 H new ATOM 724 N THR B 27 -7.484 -4.729 -3.977 1.00 0.00 N ATOM 725 CA THR B 27 -8.869 -4.577 -4.480 1.00 0.00 C ATOM 726 C THR B 27 -8.873 -4.557 -6.011 1.00 0.00 C ATOM 727 O THR B 27 -8.007 -5.114 -6.654 1.00 0.00 O ATOM 728 CB THR B 27 -9.435 -3.261 -3.956 1.00 0.00 C ATOM 729 OG1 THR B 27 -9.080 -2.206 -4.840 1.00 0.00 O ATOM 730 CG2 THR B 27 -8.875 -2.972 -2.562 1.00 0.00 C ATOM 0 H THR B 27 -6.949 -3.862 -3.928 1.00 0.00 H new ATOM 0 HA THR B 27 -9.477 -5.414 -4.137 1.00 0.00 H new ATOM 0 HB THR B 27 -10.521 -3.336 -3.896 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.445 -1.361 -4.504 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.283 -2.031 -2.194 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.154 -3.778 -1.884 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.789 -2.901 -2.614 1.00 0.00 H new ATOM 738 N LYS B 28 -9.850 -3.920 -6.596 1.00 0.00 N ATOM 739 CA LYS B 28 -9.925 -3.857 -8.074 1.00 0.00 C ATOM 740 C LYS B 28 -8.927 -2.801 -8.586 1.00 0.00 C ATOM 741 O LYS B 28 -8.106 -2.324 -7.828 1.00 0.00 O ATOM 742 CB LYS B 28 -11.377 -3.528 -8.458 1.00 0.00 C ATOM 743 CG LYS B 28 -11.628 -2.015 -8.470 1.00 0.00 C ATOM 744 CD LYS B 28 -12.394 -1.614 -7.208 1.00 0.00 C ATOM 745 CE LYS B 28 -12.548 -0.093 -7.162 1.00 0.00 C ATOM 746 NZ LYS B 28 -11.437 0.496 -6.361 1.00 0.00 N ATOM 0 H LYS B 28 -10.603 -3.438 -6.105 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.653 -4.807 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.596 -3.942 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.058 -4.005 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.680 -1.479 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.197 -1.737 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.375 -2.089 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.863 -1.963 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.538 0.315 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.509 0.173 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.542 1.530 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.467 0.116 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.526 0.254 -6.800 1.00 0.00 H new ATOM 760 N PRO B 29 -9.009 -2.479 -9.854 1.00 0.00 N ATOM 761 CA PRO B 29 -8.106 -1.504 -10.484 1.00 0.00 C ATOM 762 C PRO B 29 -8.619 -0.077 -10.266 1.00 0.00 C ATOM 763 O PRO B 29 -8.316 0.556 -9.275 1.00 0.00 O ATOM 764 CB PRO B 29 -8.149 -1.895 -11.965 1.00 0.00 C ATOM 765 CG PRO B 29 -9.476 -2.669 -12.179 1.00 0.00 C ATOM 766 CD PRO B 29 -9.998 -3.053 -10.780 1.00 0.00 C ATOM 0 HA PRO B 29 -7.096 -1.518 -10.075 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -8.109 -1.011 -12.601 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -7.292 -2.515 -12.227 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.203 -2.052 -12.707 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.311 -3.558 -12.788 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.993 -2.646 -10.601 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.070 -4.135 -10.665 1.00 0.00 H new ATOM 774 N THR B 30 -9.393 0.432 -11.182 1.00 0.00 N ATOM 775 CA THR B 30 -9.924 1.816 -11.024 1.00 0.00 C ATOM 776 C THR B 30 -11.431 1.818 -11.286 1.00 0.00 C ATOM 777 O THR B 30 -12.158 2.322 -10.446 1.00 0.00 O ATOM 778 CB THR B 30 -9.231 2.746 -12.025 1.00 0.00 C ATOM 779 OG1 THR B 30 -9.882 4.009 -12.022 1.00 0.00 O ATOM 780 CG2 THR B 30 -9.302 2.137 -13.426 1.00 0.00 C ATOM 781 OXT THR B 30 -11.834 1.315 -12.322 1.00 0.00 O ATOM 0 H THR B 30 -9.682 -0.049 -12.034 1.00 0.00 H new ATOM 0 HA THR B 30 -9.731 2.165 -10.009 1.00 0.00 H new ATOM 0 HB THR B 30 -8.186 2.873 -11.741 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.440 4.606 -12.661 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.808 2.800 -14.136 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.803 1.168 -13.427 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.345 2.008 -13.714 1.00 0.00 H new TER 789 THR B 30