USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 26 TYR OH : rot 30:sc= 0.218 USER MOD Set 1.2: B 28 LYS NZ :NH3+ -171:sc= 0.231 (180deg=0) USER MOD Set 2.1: A 1 GLY N :NH3+ 179:sc= 1.14 (180deg=0.93) USER MOD Set 2.2: B 27 THR OG1 : rot -10:sc= 0.197 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 170:sc= 0.00113 USER MOD Single : A 9 SER OG : rot 180:sc= 0.166 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.588 K(o=0.59,f=-4.2!) USER MOD Single : A 18 ASN : amide:sc= 0.683 K(o=0.68,f=0) 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+ 130:sc= 0.0589 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 1.66 K(o=1.7,f=-0.06) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 5 HIS : no HE2:sc= 0.778 K(o=0.78,f=-2.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00741 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.006 5.436 -4.081 1.00 0.00 N ATOM 2 CA GLY A 1 -4.758 4.185 -3.330 1.00 0.00 C ATOM 3 C GLY A 1 -3.318 3.730 -3.469 1.00 0.00 C ATOM 4 O GLY A 1 -2.398 4.451 -3.093 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.004 5.710 -3.979 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.399 6.192 -3.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.790 5.286 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.992 4.339 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.425 3.403 -3.693 1.00 0.00 H new ATOM 10 N ILE A 2 -3.103 2.536 -4.030 1.00 0.00 N ATOM 11 CA ILE A 2 -1.810 1.827 -4.063 1.00 0.00 C ATOM 12 C ILE A 2 -0.684 2.604 -4.767 1.00 0.00 C ATOM 13 O ILE A 2 0.474 2.521 -4.360 1.00 0.00 O ATOM 14 CB ILE A 2 -2.038 0.434 -4.692 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.813 -0.472 -4.471 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.473 0.511 -6.166 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.017 -1.906 -4.968 1.00 0.00 C ATOM 0 H ILE A 2 -3.848 2.014 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.454 1.724 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.878 -0.028 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.047 -0.038 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.575 -0.495 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.618 -0.497 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.407 1.067 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.702 1.017 -6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.115 -2.488 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.857 -2.358 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.225 -1.894 -6.038 1.00 0.00 H new ATOM 29 N VAL A 3 -1.006 3.407 -5.787 1.00 0.00 N ATOM 30 CA VAL A 3 -0.019 4.211 -6.537 1.00 0.00 C ATOM 31 C VAL A 3 0.645 5.282 -5.654 1.00 0.00 C ATOM 32 O VAL A 3 1.836 5.557 -5.796 1.00 0.00 O ATOM 33 CB VAL A 3 -0.681 4.798 -7.800 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.637 5.967 -7.520 1.00 0.00 C ATOM 35 CG2 VAL A 3 0.356 5.239 -8.834 1.00 0.00 C ATOM 0 H VAL A 3 -1.963 3.522 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 3 0.795 3.560 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.276 3.977 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.061 6.323 -8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.440 5.631 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.090 6.777 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.152 5.646 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.000 6.003 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.960 4.382 -9.132 1.00 0.00 H new ATOM 45 N GLU A 4 -0.079 5.784 -4.653 1.00 0.00 N ATOM 46 CA GLU A 4 0.398 6.766 -3.663 1.00 0.00 C ATOM 47 C GLU A 4 1.277 6.125 -2.566 1.00 0.00 C ATOM 48 O GLU A 4 1.638 6.786 -1.587 1.00 0.00 O ATOM 49 CB GLU A 4 -0.802 7.510 -3.048 1.00 0.00 C ATOM 50 CG GLU A 4 -1.672 8.242 -4.084 1.00 0.00 C ATOM 51 CD GLU A 4 -2.971 8.750 -3.441 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.967 7.985 -3.422 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.007 9.907 -2.951 1.00 0.00 O ATOM 0 H GLU A 4 -1.050 5.512 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 4 1.035 7.480 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.422 6.796 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.435 8.233 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.117 9.080 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.908 7.569 -4.909 1.00 0.00 H new ATOM 60 N GLN A 5 1.611 4.840 -2.718 1.00 0.00 N ATOM 61 CA GLN A 5 2.514 4.088 -1.846 1.00 0.00 C ATOM 62 C GLN A 5 3.596 3.316 -2.624 1.00 0.00 C ATOM 63 O GLN A 5 4.746 3.279 -2.190 1.00 0.00 O ATOM 64 CB GLN A 5 1.684 3.126 -0.972 1.00 0.00 C ATOM 65 CG GLN A 5 0.772 3.860 0.026 1.00 0.00 C ATOM 66 CD GLN A 5 0.035 2.891 0.950 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.124 2.551 0.747 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.672 2.402 1.996 1.00 0.00 N ATOM 0 H GLN A 5 1.244 4.274 -3.483 1.00 0.00 H new ATOM 0 HA GLN A 5 3.045 4.805 -1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.074 2.493 -1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.358 2.468 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.369 4.548 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.046 4.462 -0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.638 2.675 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.199 1.750 2.622 1.00 0.00 H new ATOM 77 N CYS A 6 3.259 2.723 -3.777 1.00 0.00 N ATOM 78 CA CYS A 6 4.150 1.823 -4.518 1.00 0.00 C ATOM 79 C CYS A 6 4.793 2.438 -5.782 1.00 0.00 C ATOM 80 O CYS A 6 5.726 1.846 -6.330 1.00 0.00 O ATOM 81 CB CYS A 6 3.382 0.535 -4.838 1.00 0.00 C ATOM 82 SG CYS A 6 4.399 -0.960 -4.708 1.00 0.00 S ATOM 0 H CYS A 6 2.352 2.856 -4.225 1.00 0.00 H new ATOM 0 HA CYS A 6 5.004 1.612 -3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.533 0.448 -4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.977 0.603 -5.848 1.00 0.00 H new ATOM 87 N CYS A 7 4.324 3.615 -6.224 1.00 0.00 N ATOM 88 CA CYS A 7 4.943 4.418 -7.291 1.00 0.00 C ATOM 89 C CYS A 7 5.659 5.663 -6.725 1.00 0.00 C ATOM 90 O CYS A 7 6.796 5.946 -7.109 1.00 0.00 O ATOM 91 CB CYS A 7 3.867 4.809 -8.310 1.00 0.00 C ATOM 92 SG CYS A 7 4.437 5.840 -9.689 1.00 0.00 S ATOM 0 H CYS A 7 3.483 4.046 -5.840 1.00 0.00 H new ATOM 0 HA CYS A 7 5.707 3.819 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.428 3.898 -8.717 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.071 5.340 -7.787 1.00 0.00 H new ATOM 97 N THR A 8 5.043 6.382 -5.776 1.00 0.00 N ATOM 98 CA THR A 8 5.657 7.547 -5.097 1.00 0.00 C ATOM 99 C THR A 8 6.842 7.130 -4.216 1.00 0.00 C ATOM 100 O THR A 8 7.883 7.790 -4.193 1.00 0.00 O ATOM 101 CB THR A 8 4.621 8.279 -4.233 1.00 0.00 C ATOM 102 OG1 THR A 8 3.995 7.343 -3.381 1.00 0.00 O ATOM 103 CG2 THR A 8 3.529 8.939 -5.074 1.00 0.00 C ATOM 0 H THR A 8 4.098 6.175 -5.451 1.00 0.00 H new ATOM 0 HA THR A 8 6.022 8.215 -5.877 1.00 0.00 H new ATOM 0 HB THR A 8 5.149 9.053 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.452 7.817 -2.717 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.820 9.444 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.980 9.666 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.007 8.178 -5.655 1.00 0.00 H new ATOM 111 N SER A 9 6.689 5.991 -3.541 1.00 0.00 N ATOM 112 CA SER A 9 7.715 5.236 -2.817 1.00 0.00 C ATOM 113 C SER A 9 7.755 3.818 -3.410 1.00 0.00 C ATOM 114 O SER A 9 7.368 3.627 -4.565 1.00 0.00 O ATOM 115 CB SER A 9 7.417 5.285 -1.311 1.00 0.00 C ATOM 116 OG SER A 9 8.519 4.792 -0.567 1.00 0.00 O ATOM 0 H SER A 9 5.778 5.537 -3.481 1.00 0.00 H new ATOM 0 HA SER A 9 8.710 5.666 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.199 6.310 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.529 4.693 -1.091 1.00 0.00 H new ATOM 0 HG SER A 9 8.312 4.832 0.390 1.00 0.00 H new ATOM 122 N ILE A 10 8.230 2.815 -2.669 1.00 0.00 N ATOM 123 CA ILE A 10 8.244 1.404 -3.090 1.00 0.00 C ATOM 124 C ILE A 10 7.623 0.531 -1.989 1.00 0.00 C ATOM 125 O ILE A 10 7.917 0.722 -0.805 1.00 0.00 O ATOM 126 CB ILE A 10 9.674 0.930 -3.456 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.498 1.986 -4.232 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.560 -0.364 -4.283 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.912 1.533 -4.629 1.00 0.00 C ATOM 0 H ILE A 10 8.625 2.959 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 10 7.644 1.305 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 10 10.213 0.759 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.953 2.261 -5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.577 2.885 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.557 -0.714 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.053 -1.129 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.989 -0.167 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.414 2.337 -5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.481 1.287 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.846 0.653 -5.269 1.00 0.00 H new ATOM 141 N CYS A 11 6.776 -0.428 -2.372 1.00 0.00 N ATOM 142 CA CYS A 11 6.054 -1.324 -1.460 1.00 0.00 C ATOM 143 C CYS A 11 6.451 -2.804 -1.641 1.00 0.00 C ATOM 144 O CYS A 11 6.829 -3.234 -2.735 1.00 0.00 O ATOM 145 CB CYS A 11 4.544 -1.076 -1.609 1.00 0.00 C ATOM 146 SG CYS A 11 3.707 -1.860 -3.013 1.00 0.00 S ATOM 0 H CYS A 11 6.566 -0.609 -3.354 1.00 0.00 H new ATOM 0 HA CYS A 11 6.340 -1.093 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.055 -1.412 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.384 -0.000 -1.679 1.00 0.00 H new ATOM 151 N SER A 12 6.368 -3.593 -0.566 1.00 0.00 N ATOM 152 CA SER A 12 6.659 -5.040 -0.565 1.00 0.00 C ATOM 153 C SER A 12 5.508 -5.868 -1.145 1.00 0.00 C ATOM 154 O SER A 12 4.346 -5.468 -1.095 1.00 0.00 O ATOM 155 CB SER A 12 6.979 -5.524 0.856 1.00 0.00 C ATOM 156 OG SER A 12 8.171 -4.919 1.338 1.00 0.00 O ATOM 0 H SER A 12 6.091 -3.241 0.351 1.00 0.00 H new ATOM 0 HA SER A 12 7.528 -5.186 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.150 -5.285 1.522 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.089 -6.608 0.860 1.00 0.00 H new ATOM 0 HG SER A 12 8.357 -5.239 2.245 1.00 0.00 H new ATOM 162 N LEU A 13 5.819 -7.072 -1.637 1.00 0.00 N ATOM 163 CA LEU A 13 4.846 -8.009 -2.213 1.00 0.00 C ATOM 164 C LEU A 13 3.686 -8.381 -1.265 1.00 0.00 C ATOM 165 O LEU A 13 2.566 -8.608 -1.715 1.00 0.00 O ATOM 166 CB LEU A 13 5.589 -9.247 -2.754 1.00 0.00 C ATOM 167 CG LEU A 13 6.096 -10.288 -1.733 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.737 -11.444 -2.500 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.166 -9.758 -0.774 1.00 0.00 C ATOM 0 H LEU A 13 6.774 -7.431 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 13 4.351 -7.498 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.924 -9.758 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.446 -8.898 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 13 5.227 -10.578 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.102 -12.191 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.997 -11.898 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.570 -11.069 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.467 -10.552 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.032 -9.422 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.761 -8.922 -0.203 1.00 0.00 H new ATOM 181 N TYR A 14 3.917 -8.341 0.050 1.00 0.00 N ATOM 182 CA TYR A 14 2.881 -8.548 1.074 1.00 0.00 C ATOM 183 C TYR A 14 1.807 -7.445 1.078 1.00 0.00 C ATOM 184 O TYR A 14 0.651 -7.685 1.425 1.00 0.00 O ATOM 185 CB TYR A 14 3.563 -8.617 2.449 1.00 0.00 C ATOM 186 CG TYR A 14 4.723 -9.599 2.536 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.515 -10.956 2.222 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.012 -9.147 2.890 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.592 -11.861 2.254 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.089 -10.054 2.930 1.00 0.00 C ATOM 191 CZ TYR A 14 6.883 -11.416 2.610 1.00 0.00 C ATOM 192 OH TYR A 14 7.918 -12.301 2.647 1.00 0.00 O ATOM 0 H TYR A 14 4.841 -8.162 0.442 1.00 0.00 H new ATOM 0 HA TYR A 14 2.364 -9.480 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.926 -7.623 2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.817 -8.890 3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.527 -11.303 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.173 -8.106 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.430 -12.899 2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.074 -9.708 3.206 1.00 0.00 H new ATOM 0 HH TYR A 14 8.739 -11.834 2.909 1.00 0.00 H new ATOM 202 N GLN A 15 2.177 -6.236 0.643 1.00 0.00 N ATOM 203 CA GLN A 15 1.294 -5.079 0.477 1.00 0.00 C ATOM 204 C GLN A 15 0.521 -5.127 -0.854 1.00 0.00 C ATOM 205 O GLN A 15 -0.490 -4.445 -0.992 1.00 0.00 O ATOM 206 CB GLN A 15 2.111 -3.775 0.590 1.00 0.00 C ATOM 207 CG GLN A 15 3.014 -3.729 1.838 1.00 0.00 C ATOM 208 CD GLN A 15 3.770 -2.409 1.965 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.937 -2.299 1.616 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.144 -1.355 2.438 1.00 0.00 N ATOM 0 H GLN A 15 3.142 -6.029 0.386 1.00 0.00 H new ATOM 0 HA GLN A 15 0.552 -5.107 1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.728 -3.663 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.427 -2.927 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.405 -3.882 2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.729 -4.551 1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.171 -1.430 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.631 -0.462 2.510 1.00 0.00 H new ATOM 219 N LEU A 16 0.949 -5.961 -1.813 1.00 0.00 N ATOM 220 CA LEU A 16 0.226 -6.223 -3.063 1.00 0.00 C ATOM 221 C LEU A 16 -0.916 -7.236 -2.858 1.00 0.00 C ATOM 222 O LEU A 16 -2.001 -7.068 -3.410 1.00 0.00 O ATOM 223 CB LEU A 16 1.213 -6.693 -4.152 1.00 0.00 C ATOM 224 CG LEU A 16 2.399 -5.748 -4.450 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.183 -6.267 -5.654 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.993 -4.312 -4.769 1.00 0.00 C ATOM 0 H LEU A 16 1.823 -6.481 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.237 -5.294 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.613 -7.663 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.656 -6.846 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 16 2.991 -5.736 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.018 -5.598 -5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.563 -7.265 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.528 -6.309 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.885 -3.717 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.350 -4.303 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.454 -3.889 -3.921 1.00 0.00 H new ATOM 238 N GLU A 17 -0.714 -8.240 -1.990 1.00 0.00 N ATOM 239 CA GLU A 17 -1.753 -9.218 -1.601 1.00 0.00 C ATOM 240 C GLU A 17 -3.012 -8.557 -1.011 1.00 0.00 C ATOM 241 O GLU A 17 -4.114 -9.079 -1.178 1.00 0.00 O ATOM 242 CB GLU A 17 -1.200 -10.219 -0.572 1.00 0.00 C ATOM 243 CG GLU A 17 -0.153 -11.178 -1.144 1.00 0.00 C ATOM 244 CD GLU A 17 0.226 -12.260 -0.113 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.126 -12.014 0.727 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.376 -13.359 -0.132 1.00 0.00 O ATOM 0 H GLU A 17 0.183 -8.401 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.037 -9.730 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.758 -9.667 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.027 -10.800 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.542 -11.650 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.737 -10.620 -1.434 1.00 0.00 H new ATOM 253 N ASN A 18 -2.877 -7.381 -0.386 1.00 0.00 N ATOM 254 CA ASN A 18 -3.981 -6.592 0.168 1.00 0.00 C ATOM 255 C ASN A 18 -5.067 -6.228 -0.872 1.00 0.00 C ATOM 256 O ASN A 18 -6.229 -6.031 -0.508 1.00 0.00 O ATOM 257 CB ASN A 18 -3.360 -5.323 0.786 1.00 0.00 C ATOM 258 CG ASN A 18 -4.397 -4.390 1.393 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.910 -4.611 2.480 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.747 -3.322 0.709 1.00 0.00 N ATOM 0 H ASN A 18 -1.968 -6.940 -0.248 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.503 -7.190 0.915 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.645 -5.613 1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.802 -4.787 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.445 -2.681 1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.320 -3.135 -0.198 1.00 0.00 H new ATOM 267 N TYR A 19 -4.700 -6.158 -2.157 1.00 0.00 N ATOM 268 CA TYR A 19 -5.579 -5.763 -3.261 1.00 0.00 C ATOM 269 C TYR A 19 -6.049 -6.954 -4.122 1.00 0.00 C ATOM 270 O TYR A 19 -6.804 -6.765 -5.079 1.00 0.00 O ATOM 271 CB TYR A 19 -4.874 -4.690 -4.100 1.00 0.00 C ATOM 272 CG TYR A 19 -4.498 -3.431 -3.331 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.310 -3.388 -2.575 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.329 -2.294 -3.388 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.969 -2.224 -1.859 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.984 -1.121 -2.685 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.806 -1.090 -1.905 1.00 0.00 C ATOM 278 OH TYR A 19 -3.465 0.029 -1.215 1.00 0.00 O ATOM 0 H TYR A 19 -3.754 -6.382 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.493 -5.349 -2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.970 -5.120 -4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.523 -4.413 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.659 -4.249 -2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.236 -2.321 -3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.063 -2.200 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.618 -0.249 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.147 0.719 -1.353 1.00 0.00 H new ATOM 288 N CYS A 20 -5.629 -8.177 -3.792 1.00 0.00 N ATOM 289 CA CYS A 20 -5.976 -9.416 -4.500 1.00 0.00 C ATOM 290 C CYS A 20 -7.240 -10.094 -3.928 1.00 0.00 C ATOM 291 O CYS A 20 -7.533 -9.970 -2.733 1.00 0.00 O ATOM 292 CB CYS A 20 -4.755 -10.339 -4.431 1.00 0.00 C ATOM 293 SG CYS A 20 -4.918 -11.932 -5.277 1.00 0.00 S ATOM 0 H CYS A 20 -5.014 -8.340 -2.994 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.224 -9.188 -5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.900 -9.811 -4.854 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.526 -10.528 -3.382 1.00 0.00 H new ATOM 298 N ASN A 21 -7.976 -10.832 -4.771 1.00 0.00 N ATOM 299 CA ASN A 21 -9.158 -11.624 -4.387 1.00 0.00 C ATOM 300 C ASN A 21 -8.815 -12.881 -3.552 1.00 0.00 C ATOM 301 O ASN A 21 -9.462 -13.079 -2.499 1.00 0.00 O ATOM 302 CB ASN A 21 -9.944 -11.965 -5.668 1.00 0.00 C ATOM 303 CG ASN A 21 -11.195 -12.787 -5.405 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.240 -13.991 -5.616 1.00 0.00 O ATOM 305 ND2 ASN A 21 -12.252 -12.167 -4.922 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.922 -13.663 -3.950 1.00 0.00 O ATOM 0 H ASN A 21 -7.762 -10.898 -5.766 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.778 -11.025 -3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.225 -11.040 -6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.294 -12.513 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.105 -12.691 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.218 -11.163 -4.745 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.727 -10.434 -5.711 1.00 0.00 N ATOM 315 CA PHE B 1 10.511 -9.772 -6.243 1.00 0.00 C ATOM 316 C PHE B 1 10.831 -8.336 -6.693 1.00 0.00 C ATOM 317 O PHE B 1 11.762 -7.717 -6.173 1.00 0.00 O ATOM 318 CB PHE B 1 9.358 -9.821 -5.221 1.00 0.00 C ATOM 319 CG PHE B 1 8.027 -9.366 -5.787 1.00 0.00 C ATOM 320 CD1 PHE B 1 7.196 -10.277 -6.465 1.00 0.00 C ATOM 321 CD2 PHE B 1 7.642 -8.015 -5.686 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.016 -9.828 -7.079 1.00 0.00 C ATOM 323 CE2 PHE B 1 6.465 -7.564 -6.305 1.00 0.00 C ATOM 324 CZ PHE B 1 5.660 -8.472 -7.012 1.00 0.00 C ATOM 0 H1 PHE B 1 11.514 -10.860 -4.786 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.035 -11.176 -6.371 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.486 -9.731 -5.602 1.00 0.00 H new ATOM 0 HA PHE B 1 10.174 -10.321 -7.122 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.256 -10.841 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.614 -9.194 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.466 -11.322 -6.513 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.255 -7.322 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.381 -10.527 -7.604 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.180 -6.524 -6.238 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.764 -8.126 -7.506 1.00 0.00 H new ATOM 336 N VAL B 2 10.087 -7.786 -7.666 1.00 0.00 N ATOM 337 CA VAL B 2 10.337 -6.447 -8.241 1.00 0.00 C ATOM 338 C VAL B 2 9.982 -5.309 -7.281 1.00 0.00 C ATOM 339 O VAL B 2 8.918 -5.283 -6.665 1.00 0.00 O ATOM 340 CB VAL B 2 9.681 -6.301 -9.631 1.00 0.00 C ATOM 341 CG1 VAL B 2 8.144 -6.306 -9.604 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.179 -5.052 -10.368 1.00 0.00 C ATOM 0 H VAL B 2 9.286 -8.260 -8.082 1.00 0.00 H new ATOM 0 HA VAL B 2 11.413 -6.359 -8.392 1.00 0.00 H new ATOM 0 HB VAL B 2 9.992 -7.193 -10.175 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.762 -6.199 -10.619 1.00 0.00 H new ATOM 0 HG12 VAL B 2 7.791 -7.246 -9.180 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.788 -5.476 -8.993 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.693 -4.986 -11.342 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.940 -4.164 -9.782 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.258 -5.116 -10.505 1.00 0.00 H new ATOM 352 N ASN B 3 10.918 -4.375 -7.117 1.00 0.00 N ATOM 353 CA ASN B 3 10.856 -3.283 -6.139 1.00 0.00 C ATOM 354 C ASN B 3 11.633 -2.054 -6.663 1.00 0.00 C ATOM 355 O ASN B 3 12.689 -1.684 -6.145 1.00 0.00 O ATOM 356 CB ASN B 3 11.320 -3.838 -4.763 1.00 0.00 C ATOM 357 CG ASN B 3 10.219 -3.777 -3.719 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.354 -3.182 -2.661 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.090 -4.384 -3.992 1.00 0.00 N ATOM 0 H ASN B 3 11.769 -4.355 -7.678 1.00 0.00 H new ATOM 0 HA ASN B 3 9.840 -2.914 -5.994 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.649 -4.870 -4.882 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.181 -3.267 -4.415 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.323 -4.360 -3.320 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.979 -4.881 -4.876 1.00 0.00 H new ATOM 366 N GLN B 4 11.132 -1.467 -7.758 1.00 0.00 N ATOM 367 CA GLN B 4 11.815 -0.426 -8.553 1.00 0.00 C ATOM 368 C GLN B 4 10.897 0.769 -8.906 1.00 0.00 C ATOM 369 O GLN B 4 10.873 1.210 -10.056 1.00 0.00 O ATOM 370 CB GLN B 4 12.430 -1.069 -9.819 1.00 0.00 C ATOM 371 CG GLN B 4 13.342 -2.273 -9.534 1.00 0.00 C ATOM 372 CD GLN B 4 14.091 -2.785 -10.768 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.902 -2.348 -11.897 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.978 -3.746 -10.598 1.00 0.00 N ATOM 0 H GLN B 4 10.213 -1.707 -8.130 1.00 0.00 H new ATOM 0 HA GLN B 4 12.611 -0.005 -7.939 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.624 -1.387 -10.480 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.003 -0.313 -10.356 1.00 0.00 H new ATOM 0 HG2 GLN B 4 14.067 -1.995 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.740 -3.084 -9.123 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.149 -4.123 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.493 -4.112 -11.399 1.00 0.00 H new ATOM 383 N HIS B 5 10.121 1.280 -7.934 1.00 0.00 N ATOM 384 CA HIS B 5 9.030 2.261 -8.130 1.00 0.00 C ATOM 385 C HIS B 5 8.011 1.770 -9.178 1.00 0.00 C ATOM 386 O HIS B 5 8.077 2.095 -10.367 1.00 0.00 O ATOM 387 CB HIS B 5 9.570 3.671 -8.434 1.00 0.00 C ATOM 388 CG HIS B 5 10.171 4.383 -7.250 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.510 5.252 -6.414 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.479 4.358 -6.849 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.391 5.736 -5.527 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.610 5.218 -5.747 1.00 0.00 N ATOM 0 H HIS B 5 10.237 1.015 -6.956 1.00 0.00 H new ATOM 0 HA HIS B 5 8.490 2.344 -7.187 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.325 3.595 -9.217 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.757 4.279 -8.832 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.519 5.488 -6.461 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.271 3.779 -7.301 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.154 6.443 -4.746 1.00 0.00 H new ATOM 400 N LEU B 6 7.075 0.927 -8.735 1.00 0.00 N ATOM 401 CA LEU B 6 6.110 0.248 -9.600 1.00 0.00 C ATOM 402 C LEU B 6 4.986 1.231 -9.958 1.00 0.00 C ATOM 403 O LEU B 6 4.177 1.605 -9.106 1.00 0.00 O ATOM 404 CB LEU B 6 5.572 -1.026 -8.927 1.00 0.00 C ATOM 405 CG LEU B 6 6.601 -1.887 -8.183 1.00 0.00 C ATOM 406 CD1 LEU B 6 5.933 -3.144 -7.644 1.00 0.00 C ATOM 407 CD2 LEU B 6 7.793 -2.307 -9.048 1.00 0.00 C ATOM 0 H LEU B 6 6.965 0.694 -7.748 1.00 0.00 H new ATOM 0 HA LEU B 6 6.599 -0.071 -10.521 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.793 -0.737 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.098 -1.643 -9.691 1.00 0.00 H new ATOM 0 HG LEU B 6 6.985 -1.262 -7.377 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.670 -3.750 -7.117 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.134 -2.865 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.516 -3.718 -8.472 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.478 -2.913 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU B 6 7.438 -2.889 -9.899 1.00 0.00 H new ATOM 0 HD23 LEU B 6 8.313 -1.419 -9.407 1.00 0.00 H new ATOM 419 N CYS B 7 4.937 1.652 -11.218 1.00 0.00 N ATOM 420 CA CYS B 7 4.007 2.668 -11.722 1.00 0.00 C ATOM 421 C CYS B 7 3.272 2.159 -12.971 1.00 0.00 C ATOM 422 O CYS B 7 3.887 1.526 -13.834 1.00 0.00 O ATOM 423 CB CYS B 7 4.804 3.941 -12.051 1.00 0.00 C ATOM 424 SG CYS B 7 5.774 4.682 -10.704 1.00 0.00 S ATOM 0 H CYS B 7 5.559 1.288 -11.940 1.00 0.00 H new ATOM 0 HA CYS B 7 3.257 2.886 -10.962 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.484 3.712 -12.871 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.105 4.693 -12.417 1.00 0.00 H new ATOM 429 N GLY B 8 1.967 2.437 -13.082 1.00 0.00 N ATOM 430 CA GLY B 8 1.141 2.061 -14.235 1.00 0.00 C ATOM 431 C GLY B 8 1.193 0.562 -14.533 1.00 0.00 C ATOM 432 O GLY B 8 0.896 -0.271 -13.669 1.00 0.00 O ATOM 0 H GLY B 8 1.447 2.938 -12.361 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.108 2.355 -14.048 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.476 2.614 -15.113 1.00 0.00 H new ATOM 436 N SER B 9 1.635 0.212 -15.743 1.00 0.00 N ATOM 437 CA SER B 9 1.857 -1.171 -16.191 1.00 0.00 C ATOM 438 C SER B 9 2.720 -1.999 -15.232 1.00 0.00 C ATOM 439 O SER B 9 2.429 -3.171 -15.020 1.00 0.00 O ATOM 440 CB SER B 9 2.524 -1.168 -17.576 1.00 0.00 C ATOM 441 OG SER B 9 3.612 -0.250 -17.618 1.00 0.00 O ATOM 0 H SER B 9 1.856 0.901 -16.462 1.00 0.00 H new ATOM 0 HA SER B 9 0.873 -1.639 -16.225 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.880 -2.170 -17.814 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.790 -0.902 -18.336 1.00 0.00 H new ATOM 0 HG SER B 9 4.021 -0.268 -18.508 1.00 0.00 H new ATOM 447 N HIS B 10 3.740 -1.409 -14.603 1.00 0.00 N ATOM 448 CA HIS B 10 4.655 -2.117 -13.697 1.00 0.00 C ATOM 449 C HIS B 10 4.002 -2.485 -12.362 1.00 0.00 C ATOM 450 O HIS B 10 4.262 -3.558 -11.816 1.00 0.00 O ATOM 451 CB HIS B 10 5.901 -1.256 -13.471 1.00 0.00 C ATOM 452 CG HIS B 10 6.571 -0.861 -14.755 1.00 0.00 C ATOM 453 ND1 HIS B 10 6.594 0.393 -15.321 1.00 0.00 N ATOM 454 CD2 HIS B 10 7.172 -1.716 -15.638 1.00 0.00 C ATOM 455 CE1 HIS B 10 7.214 0.298 -16.510 1.00 0.00 C ATOM 456 NE2 HIS B 10 7.598 -0.972 -16.743 1.00 0.00 N ATOM 0 H HIS B 10 3.958 -0.418 -14.708 1.00 0.00 H new ATOM 0 HA HIS B 10 4.931 -3.060 -14.170 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.622 -0.358 -12.920 1.00 0.00 H new ATOM 0 HB3 HIS B 10 6.609 -1.804 -12.850 1.00 0.00 H new ATOM 0 HD2 HIS B 10 7.296 -2.781 -15.505 1.00 0.00 H new ATOM 0 HE1 HIS B 10 7.381 1.125 -17.185 1.00 0.00 H new ATOM 0 HE2 HIS B 10 8.099 -1.321 -17.560 1.00 0.00 H new ATOM 464 N LEU B 11 3.119 -1.619 -11.851 1.00 0.00 N ATOM 465 CA LEU B 11 2.326 -1.879 -10.649 1.00 0.00 C ATOM 466 C LEU B 11 1.315 -3.006 -10.921 1.00 0.00 C ATOM 467 O LEU B 11 1.213 -3.954 -10.147 1.00 0.00 O ATOM 468 CB LEU B 11 1.636 -0.558 -10.248 1.00 0.00 C ATOM 469 CG LEU B 11 0.835 -0.535 -8.934 1.00 0.00 C ATOM 470 CD1 LEU B 11 -0.552 -1.158 -9.085 1.00 0.00 C ATOM 471 CD2 LEU B 11 1.580 -1.194 -7.775 1.00 0.00 C ATOM 0 H LEU B 11 2.935 -0.707 -12.268 1.00 0.00 H new ATOM 0 HA LEU B 11 2.954 -2.215 -9.824 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.403 0.214 -10.186 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.962 -0.274 -11.056 1.00 0.00 H new ATOM 0 HG LEU B 11 0.711 0.521 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.075 -1.117 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.119 -0.606 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.452 -2.197 -9.399 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.967 -1.148 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.786 -2.236 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.519 -0.669 -7.601 1.00 0.00 H new ATOM 483 N VAL B 12 0.606 -2.926 -12.057 1.00 0.00 N ATOM 484 CA VAL B 12 -0.397 -3.918 -12.496 1.00 0.00 C ATOM 485 C VAL B 12 0.247 -5.286 -12.779 1.00 0.00 C ATOM 486 O VAL B 12 -0.276 -6.316 -12.355 1.00 0.00 O ATOM 487 CB VAL B 12 -1.150 -3.378 -13.731 1.00 0.00 C ATOM 488 CG1 VAL B 12 -2.114 -4.395 -14.355 1.00 0.00 C ATOM 489 CG2 VAL B 12 -1.981 -2.145 -13.353 1.00 0.00 C ATOM 0 H VAL B 12 0.714 -2.153 -12.714 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.113 -4.073 -11.689 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.374 -3.140 -14.458 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.608 -3.947 -15.217 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.557 -5.276 -14.673 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.863 -4.685 -13.619 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.506 -1.776 -14.234 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.706 -2.416 -12.586 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.322 -1.366 -12.970 1.00 0.00 H new ATOM 499 N GLU B 13 1.410 -5.310 -13.435 1.00 0.00 N ATOM 500 CA GLU B 13 2.210 -6.514 -13.684 1.00 0.00 C ATOM 501 C GLU B 13 2.671 -7.169 -12.373 1.00 0.00 C ATOM 502 O GLU B 13 2.581 -8.389 -12.229 1.00 0.00 O ATOM 503 CB GLU B 13 3.402 -6.137 -14.583 1.00 0.00 C ATOM 504 CG GLU B 13 4.356 -7.299 -14.867 1.00 0.00 C ATOM 505 CD GLU B 13 5.383 -6.921 -15.949 1.00 0.00 C ATOM 506 OE1 GLU B 13 6.430 -6.316 -15.613 1.00 0.00 O ATOM 507 OE2 GLU B 13 5.159 -7.239 -17.144 1.00 0.00 O ATOM 0 H GLU B 13 1.835 -4.466 -13.820 1.00 0.00 H new ATOM 0 HA GLU B 13 1.596 -7.256 -14.194 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.023 -5.751 -15.529 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.960 -5.329 -14.110 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.875 -7.580 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.787 -8.170 -15.190 1.00 0.00 H new ATOM 514 N ALA B 14 3.100 -6.375 -11.386 1.00 0.00 N ATOM 515 CA ALA B 14 3.468 -6.871 -10.064 1.00 0.00 C ATOM 516 C ALA B 14 2.263 -7.413 -9.278 1.00 0.00 C ATOM 517 O ALA B 14 2.373 -8.457 -8.632 1.00 0.00 O ATOM 518 CB ALA B 14 4.158 -5.740 -9.309 1.00 0.00 C ATOM 0 H ALA B 14 3.201 -5.365 -11.487 1.00 0.00 H new ATOM 0 HA ALA B 14 4.145 -7.717 -10.180 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.443 -6.087 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.049 -5.429 -9.855 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.476 -4.895 -9.216 1.00 0.00 H new ATOM 524 N LEU B 15 1.100 -6.756 -9.368 1.00 0.00 N ATOM 525 CA LEU B 15 -0.129 -7.248 -8.746 1.00 0.00 C ATOM 526 C LEU B 15 -0.527 -8.606 -9.336 1.00 0.00 C ATOM 527 O LEU B 15 -0.798 -9.544 -8.589 1.00 0.00 O ATOM 528 CB LEU B 15 -1.274 -6.212 -8.877 1.00 0.00 C ATOM 529 CG LEU B 15 -2.099 -5.968 -7.594 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.460 -7.243 -6.831 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.337 -5.039 -6.659 1.00 0.00 C ATOM 0 H LEU B 15 0.988 -5.876 -9.871 1.00 0.00 H new ATOM 0 HA LEU B 15 0.059 -7.390 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.846 -5.263 -9.199 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.950 -6.541 -9.666 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.036 -5.520 -7.926 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.038 -6.985 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.052 -7.896 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.547 -7.759 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.924 -4.870 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.383 -5.494 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.158 -4.087 -7.158 1.00 0.00 H new ATOM 543 N TYR B 16 -0.470 -8.756 -10.663 1.00 0.00 N ATOM 544 CA TYR B 16 -0.714 -10.035 -11.337 1.00 0.00 C ATOM 545 C TYR B 16 0.319 -11.116 -10.967 1.00 0.00 C ATOM 546 O TYR B 16 -0.055 -12.271 -10.769 1.00 0.00 O ATOM 547 CB TYR B 16 -0.754 -9.819 -12.857 1.00 0.00 C ATOM 548 CG TYR B 16 -1.018 -11.096 -13.640 1.00 0.00 C ATOM 549 CD1 TYR B 16 -2.280 -11.724 -13.566 1.00 0.00 C ATOM 550 CD2 TYR B 16 0.013 -11.681 -14.404 1.00 0.00 C ATOM 551 CE1 TYR B 16 -2.508 -12.929 -14.258 1.00 0.00 C ATOM 552 CE2 TYR B 16 -0.214 -12.890 -15.094 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.479 -13.519 -15.021 1.00 0.00 C ATOM 554 OH TYR B 16 -1.710 -14.691 -15.680 1.00 0.00 O ATOM 0 H TYR B 16 -0.253 -7.991 -11.302 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.679 -10.405 -10.992 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.529 -9.090 -13.093 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.195 -9.392 -13.181 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.070 -11.280 -12.979 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.979 -11.202 -14.461 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.476 -13.404 -14.204 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.578 -13.335 -15.678 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.899 -14.962 -16.159 1.00 0.00 H new ATOM 564 N LEU B 17 1.597 -10.756 -10.798 1.00 0.00 N ATOM 565 CA LEU B 17 2.673 -11.690 -10.437 1.00 0.00 C ATOM 566 C LEU B 17 2.497 -12.268 -9.017 1.00 0.00 C ATOM 567 O LEU B 17 2.873 -13.415 -8.766 1.00 0.00 O ATOM 568 CB LEU B 17 4.019 -10.962 -10.618 1.00 0.00 C ATOM 569 CG LEU B 17 5.277 -11.824 -10.394 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.363 -13.018 -11.351 1.00 0.00 C ATOM 571 CD2 LEU B 17 6.522 -10.963 -10.612 1.00 0.00 C ATOM 0 H LEU B 17 1.918 -9.794 -10.910 1.00 0.00 H new ATOM 0 HA LEU B 17 2.641 -12.558 -11.096 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.057 -10.551 -11.627 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.051 -10.118 -9.929 1.00 0.00 H new ATOM 0 HG LEU B 17 5.217 -12.207 -9.375 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.270 -13.586 -11.144 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.493 -13.660 -11.211 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.387 -12.659 -12.380 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.415 -11.568 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.522 -10.574 -11.630 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.518 -10.132 -9.906 1.00 0.00 H new ATOM 583 N VAL B 18 1.873 -11.505 -8.111 1.00 0.00 N ATOM 584 CA VAL B 18 1.508 -11.937 -6.749 1.00 0.00 C ATOM 585 C VAL B 18 0.142 -12.644 -6.708 1.00 0.00 C ATOM 586 O VAL B 18 -0.005 -13.660 -6.029 1.00 0.00 O ATOM 587 CB VAL B 18 1.543 -10.716 -5.799 1.00 0.00 C ATOM 588 CG1 VAL B 18 0.984 -11.008 -4.402 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.977 -10.219 -5.619 1.00 0.00 C ATOM 0 H VAL B 18 1.599 -10.542 -8.307 1.00 0.00 H new ATOM 0 HA VAL B 18 2.239 -12.673 -6.414 1.00 0.00 H new ATOM 0 HB VAL B 18 0.911 -9.966 -6.275 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.041 -10.107 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -0.056 -11.325 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.569 -11.800 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.983 -9.360 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.588 -11.016 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.385 -9.926 -6.587 1.00 0.00 H new ATOM 599 N CYS B 19 -0.858 -12.123 -7.421 1.00 0.00 N ATOM 600 CA CYS B 19 -2.256 -12.548 -7.310 1.00 0.00 C ATOM 601 C CYS B 19 -2.647 -13.723 -8.228 1.00 0.00 C ATOM 602 O CYS B 19 -3.495 -14.544 -7.866 1.00 0.00 O ATOM 603 CB CYS B 19 -3.121 -11.313 -7.605 1.00 0.00 C ATOM 604 SG CYS B 19 -4.884 -11.491 -7.257 1.00 0.00 S ATOM 0 H CYS B 19 -0.717 -11.380 -8.105 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.416 -12.935 -6.304 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -2.737 -10.476 -7.022 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.001 -11.051 -8.656 1.00 0.00 H new ATOM 609 N GLY B 20 -2.036 -13.826 -9.411 1.00 0.00 N ATOM 610 CA GLY B 20 -2.445 -14.746 -10.474 1.00 0.00 C ATOM 611 C GLY B 20 -3.796 -14.370 -11.105 1.00 0.00 C ATOM 612 O GLY B 20 -4.237 -13.221 -11.053 1.00 0.00 O ATOM 0 H GLY B 20 -1.226 -13.260 -9.661 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.679 -14.760 -11.249 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.508 -15.756 -10.069 1.00 0.00 H new ATOM 616 N GLU B 21 -4.487 -15.357 -11.683 1.00 0.00 N ATOM 617 CA GLU B 21 -5.753 -15.179 -12.423 1.00 0.00 C ATOM 618 C GLU B 21 -6.992 -14.936 -11.529 1.00 0.00 C ATOM 619 O GLU B 21 -8.115 -14.832 -12.034 1.00 0.00 O ATOM 620 CB GLU B 21 -5.969 -16.374 -13.370 1.00 0.00 C ATOM 621 CG GLU B 21 -4.865 -16.497 -14.428 1.00 0.00 C ATOM 622 CD GLU B 21 -5.174 -17.640 -15.417 1.00 0.00 C ATOM 623 OE1 GLU B 21 -4.777 -18.803 -15.153 1.00 0.00 O ATOM 624 OE2 GLU B 21 -5.818 -17.388 -16.467 1.00 0.00 O ATOM 0 H GLU B 21 -4.179 -16.329 -11.652 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.648 -14.260 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -6.010 -17.293 -12.785 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.933 -16.269 -13.867 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.770 -15.557 -14.971 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.908 -16.682 -13.941 1.00 0.00 H new ATOM 631 N ARG B 22 -6.810 -14.799 -10.207 1.00 0.00 N ATOM 632 CA ARG B 22 -7.881 -14.497 -9.230 1.00 0.00 C ATOM 633 C ARG B 22 -8.493 -13.099 -9.396 1.00 0.00 C ATOM 634 O ARG B 22 -9.652 -12.894 -9.030 1.00 0.00 O ATOM 635 CB ARG B 22 -7.323 -14.653 -7.804 1.00 0.00 C ATOM 636 CG ARG B 22 -6.992 -16.111 -7.457 1.00 0.00 C ATOM 637 CD ARG B 22 -6.534 -16.235 -5.999 1.00 0.00 C ATOM 638 NE ARG B 22 -5.185 -15.672 -5.783 1.00 0.00 N ATOM 639 CZ ARG B 22 -4.689 -15.223 -4.646 1.00 0.00 C ATOM 640 NH1 ARG B 22 -5.439 -14.915 -3.626 1.00 0.00 N ATOM 641 NH2 ARG B 22 -3.402 -15.066 -4.521 1.00 0.00 N ATOM 0 H ARG B 22 -5.893 -14.897 -9.771 1.00 0.00 H new ATOM 0 HA ARG B 22 -8.687 -15.207 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -6.424 -14.046 -7.701 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.051 -14.269 -7.089 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.869 -16.737 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.210 -16.479 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -7.246 -15.723 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -6.537 -17.285 -5.708 1.00 0.00 H new ATOM 0 HE ARG B 22 -4.573 -15.626 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.452 -15.018 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.013 -14.571 -2.765 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.783 -15.290 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.013 -14.719 -3.644 1.00 0.00 H new ATOM 655 N GLY B 23 -7.735 -12.155 -9.960 1.00 0.00 N ATOM 656 CA GLY B 23 -8.139 -10.756 -10.149 1.00 0.00 C ATOM 657 C GLY B 23 -7.911 -9.874 -8.913 1.00 0.00 C ATOM 658 O GLY B 23 -7.891 -10.348 -7.774 1.00 0.00 O ATOM 0 H GLY B 23 -6.796 -12.347 -10.308 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.585 -10.338 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.195 -10.725 -10.416 1.00 0.00 H new ATOM 662 N PHE B 24 -7.698 -8.581 -9.155 1.00 0.00 N ATOM 663 CA PHE B 24 -7.249 -7.601 -8.159 1.00 0.00 C ATOM 664 C PHE B 24 -7.749 -6.177 -8.452 1.00 0.00 C ATOM 665 O PHE B 24 -8.232 -5.876 -9.550 1.00 0.00 O ATOM 666 CB PHE B 24 -5.713 -7.624 -8.110 1.00 0.00 C ATOM 667 CG PHE B 24 -5.023 -7.401 -9.445 1.00 0.00 C ATOM 668 CD1 PHE B 24 -4.834 -6.097 -9.944 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.587 -8.506 -10.200 1.00 0.00 C ATOM 670 CE1 PHE B 24 -4.216 -5.901 -11.196 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.976 -8.310 -11.449 1.00 0.00 C ATOM 672 CZ PHE B 24 -3.788 -7.012 -11.944 1.00 0.00 C ATOM 0 H PHE B 24 -7.837 -8.171 -10.078 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.673 -7.881 -7.195 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.376 -6.858 -7.412 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.392 -8.585 -7.709 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.163 -5.246 -9.366 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.723 -9.507 -9.818 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.072 -4.902 -11.579 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.650 -9.161 -12.029 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.313 -6.865 -12.903 1.00 0.00 H new ATOM 682 N PHE B 25 -7.575 -5.286 -7.477 1.00 0.00 N ATOM 683 CA PHE B 25 -7.797 -3.842 -7.589 1.00 0.00 C ATOM 684 C PHE B 25 -6.473 -3.069 -7.730 1.00 0.00 C ATOM 685 O PHE B 25 -5.425 -3.506 -7.249 1.00 0.00 O ATOM 686 CB PHE B 25 -8.588 -3.353 -6.368 1.00 0.00 C ATOM 687 CG PHE B 25 -9.916 -4.064 -6.164 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.049 -3.674 -6.902 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.016 -5.123 -5.242 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.275 -4.335 -6.716 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.243 -5.790 -5.059 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.372 -5.392 -5.796 1.00 0.00 C ATOM 0 H PHE B 25 -7.262 -5.561 -6.546 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.373 -3.651 -8.495 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.976 -3.485 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.773 -2.284 -6.472 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.976 -2.865 -7.613 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.149 -5.425 -4.673 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.143 -4.030 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.316 -6.605 -4.354 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.315 -5.899 -5.655 1.00 0.00 H new ATOM 702 N TYR B 26 -6.521 -1.900 -8.373 1.00 0.00 N ATOM 703 CA TYR B 26 -5.425 -0.923 -8.417 1.00 0.00 C ATOM 704 C TYR B 26 -5.970 0.500 -8.648 1.00 0.00 C ATOM 705 O TYR B 26 -7.141 0.668 -9.002 1.00 0.00 O ATOM 706 CB TYR B 26 -4.380 -1.311 -9.483 1.00 0.00 C ATOM 707 CG TYR B 26 -4.717 -0.926 -10.913 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.664 -1.668 -11.649 1.00 0.00 C ATOM 709 CD2 TYR B 26 -4.070 0.172 -11.513 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.976 -1.301 -12.975 1.00 0.00 C ATOM 711 CE2 TYR B 26 -4.378 0.537 -12.836 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.335 -0.194 -13.571 1.00 0.00 C ATOM 713 OH TYR B 26 -5.640 0.173 -14.848 1.00 0.00 O ATOM 0 H TYR B 26 -7.345 -1.596 -8.892 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.922 -0.931 -7.450 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.429 -0.849 -9.217 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.232 -2.390 -9.443 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.151 -2.519 -11.197 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.336 0.735 -10.956 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.706 -1.868 -13.534 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.880 1.380 -13.291 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.571 -0.063 -15.043 1.00 0.00 H new ATOM 723 N THR B 27 -5.132 1.521 -8.457 1.00 0.00 N ATOM 724 CA THR B 27 -5.473 2.938 -8.689 1.00 0.00 C ATOM 725 C THR B 27 -4.429 3.637 -9.569 1.00 0.00 C ATOM 726 O THR B 27 -3.272 3.212 -9.621 1.00 0.00 O ATOM 727 CB THR B 27 -5.683 3.712 -7.373 1.00 0.00 C ATOM 728 OG1 THR B 27 -4.505 3.769 -6.591 1.00 0.00 O ATOM 729 CG2 THR B 27 -6.762 3.082 -6.490 1.00 0.00 C ATOM 0 H THR B 27 -4.175 1.389 -8.130 1.00 0.00 H new ATOM 0 HA THR B 27 -6.422 2.941 -9.225 1.00 0.00 H new ATOM 0 HB THR B 27 -5.984 4.711 -7.688 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.832 3.166 -6.969 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.870 3.666 -5.576 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.710 3.070 -7.027 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.475 2.061 -6.237 1.00 0.00 H new ATOM 737 N LYS B 28 -4.824 4.716 -10.255 1.00 0.00 N ATOM 738 CA LYS B 28 -3.969 5.535 -11.137 1.00 0.00 C ATOM 739 C LYS B 28 -4.404 7.016 -11.159 1.00 0.00 C ATOM 740 O LYS B 28 -5.585 7.293 -10.930 1.00 0.00 O ATOM 741 CB LYS B 28 -3.934 4.918 -12.551 1.00 0.00 C ATOM 742 CG LYS B 28 -5.305 4.805 -13.242 1.00 0.00 C ATOM 743 CD LYS B 28 -5.149 4.084 -14.583 1.00 0.00 C ATOM 744 CE LYS B 28 -6.518 3.809 -15.212 1.00 0.00 C ATOM 745 NZ LYS B 28 -6.410 2.852 -16.345 1.00 0.00 N ATOM 0 H LYS B 28 -5.783 5.060 -10.213 1.00 0.00 H new ATOM 0 HA LYS B 28 -2.956 5.529 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -3.276 5.519 -13.178 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -3.492 3.924 -12.487 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -6.001 4.260 -12.604 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -5.727 5.798 -13.399 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -4.547 4.691 -15.260 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -4.615 3.145 -14.437 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.193 3.407 -14.457 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -6.954 4.744 -15.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.320 2.802 -16.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -5.671 3.174 -17.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.163 1.910 -15.981 1.00 0.00 H new ATOM 759 N PRO B 29 -3.492 7.967 -11.448 1.00 0.00 N ATOM 760 CA PRO B 29 -3.814 9.399 -11.524 1.00 0.00 C ATOM 761 C PRO B 29 -4.572 9.805 -12.805 1.00 0.00 C ATOM 762 O PRO B 29 -5.107 10.913 -12.872 1.00 0.00 O ATOM 763 CB PRO B 29 -2.455 10.108 -11.423 1.00 0.00 C ATOM 764 CG PRO B 29 -1.496 9.113 -12.073 1.00 0.00 C ATOM 765 CD PRO B 29 -2.058 7.764 -11.629 1.00 0.00 C ATOM 0 HA PRO B 29 -4.501 9.679 -10.725 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -2.459 11.064 -11.946 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -2.183 10.312 -10.387 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -1.487 9.210 -13.159 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -0.471 9.257 -11.731 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -1.864 6.995 -12.377 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -1.591 7.432 -10.702 1.00 0.00 H new ATOM 773 N THR B 30 -4.608 8.930 -13.821 1.00 0.00 N ATOM 774 CA THR B 30 -5.200 9.147 -15.160 1.00 0.00 C ATOM 775 C THR B 30 -6.698 9.470 -15.113 1.00 0.00 C ATOM 776 O THR B 30 -7.097 10.513 -15.674 1.00 0.00 O ATOM 777 CB THR B 30 -4.963 7.919 -16.048 1.00 0.00 C ATOM 778 OG1 THR B 30 -3.616 7.507 -15.932 1.00 0.00 O ATOM 779 CG2 THR B 30 -5.229 8.207 -17.528 1.00 0.00 C ATOM 780 OXT THR B 30 -7.476 8.684 -14.525 1.00 0.00 O ATOM 0 H THR B 30 -4.203 7.998 -13.731 1.00 0.00 H new ATOM 0 HA THR B 30 -4.700 10.019 -15.582 1.00 0.00 H new ATOM 0 HB THR B 30 -5.655 7.147 -15.710 1.00 0.00 H new ATOM 0 HG1 THR B 30 -3.464 6.721 -16.498 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.047 7.305 -18.113 1.00 0.00 H new ATOM 0 HG22 THR B 30 -6.265 8.520 -17.657 1.00 0.00 H new ATOM 0 HG23 THR B 30 -4.565 9.001 -17.869 1.00 0.00 H new TER 788 THR B 30