USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 280 hydrogens (15 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: A 10 EAB HN2 : A 10 EAB N : A 9 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.106 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 23 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0.00973 K(o=0.0097,f=-1.6) USER MOD Single : B 30 THR OG1 : rot 39:sc= 0.112 USER MOD Single : B 32 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.067) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.975 -13.342 -20.269 1.00 0.00 N ATOM 2 CA GLY A 1 8.538 -13.333 -18.871 1.00 0.00 C ATOM 3 C GLY A 1 7.678 -12.105 -18.616 1.00 0.00 C ATOM 4 O GLY A 1 7.811 -11.111 -19.330 1.00 0.00 O ATOM 0 H1 GLY A 1 8.374 -13.991 -20.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.897 -12.383 -20.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.964 -13.659 -20.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.973 -14.238 -18.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.403 -13.328 -18.208 1.00 0.00 H new ATOM 8 N PRO A 2 6.768 -12.120 -17.627 1.00 0.00 N ATOM 9 CA PRO A 2 5.929 -10.959 -17.335 1.00 0.00 C ATOM 10 C PRO A 2 6.768 -9.782 -16.832 1.00 0.00 C ATOM 11 O PRO A 2 6.394 -8.624 -17.025 1.00 0.00 O ATOM 12 CB PRO A 2 4.957 -11.420 -16.250 1.00 0.00 C ATOM 13 CG PRO A 2 5.694 -12.572 -15.568 1.00 0.00 C ATOM 14 CD PRO A 2 6.496 -13.206 -16.704 1.00 0.00 C ATOM 0 HA PRO A 2 5.411 -10.611 -18.229 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.731 -10.618 -15.548 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.008 -11.748 -16.675 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.344 -12.215 -14.769 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.000 -13.284 -15.121 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.420 -13.650 -16.334 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.931 -14.003 -17.188 1.00 0.00 H new ATOM 22 N SER A 3 7.937 -10.075 -16.269 1.00 0.00 N ATOM 23 CA SER A 3 8.873 -9.131 -15.713 1.00 0.00 C ATOM 24 C SER A 3 10.239 -9.264 -16.371 1.00 0.00 C ATOM 25 O SER A 3 10.713 -10.368 -16.666 1.00 0.00 O ATOM 26 CB SER A 3 8.933 -9.386 -14.204 1.00 0.00 C ATOM 27 OG SER A 3 9.007 -10.776 -13.929 1.00 0.00 O ATOM 0 H SER A 3 8.266 -11.037 -16.189 1.00 0.00 H new ATOM 0 HA SER A 3 8.550 -8.107 -15.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.800 -8.880 -13.780 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.051 -8.962 -13.724 1.00 0.00 H new ATOM 0 HG SER A 3 9.046 -10.916 -12.960 1.00 0.00 H new ATOM 33 N GLN A 4 10.873 -8.121 -16.596 1.00 0.00 N ATOM 34 CA GLN A 4 12.196 -8.006 -17.178 1.00 0.00 C ATOM 35 C GLN A 4 12.869 -6.746 -16.591 1.00 0.00 C ATOM 36 O GLN A 4 13.288 -5.876 -17.357 1.00 0.00 O ATOM 37 CB GLN A 4 12.077 -8.055 -18.718 1.00 0.00 C ATOM 38 CG GLN A 4 11.105 -7.032 -19.339 1.00 0.00 C ATOM 39 CD GLN A 4 11.063 -7.087 -20.863 1.00 0.00 C ATOM 40 OE1 GLN A 4 11.417 -8.081 -21.489 1.00 0.00 O ATOM 41 NE2 GLN A 4 10.651 -6.011 -21.506 1.00 0.00 N ATOM 0 H GLN A 4 10.461 -7.216 -16.368 1.00 0.00 H new ATOM 0 HA GLN A 4 12.851 -8.840 -16.924 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.067 -7.897 -19.147 1.00 0.00 H new ATOM 0 HB3 GLN A 4 11.759 -9.056 -19.009 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.103 -7.210 -18.948 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.396 -6.029 -19.026 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.357 -5.186 -20.983 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.626 -6.004 -22.526 1.00 0.00 H new ATOM 50 N PRO A 5 12.959 -6.611 -15.246 1.00 0.00 N ATOM 51 CA PRO A 5 13.563 -5.457 -14.601 1.00 0.00 C ATOM 52 C PRO A 5 15.054 -5.402 -14.919 1.00 0.00 C ATOM 53 O PRO A 5 15.828 -6.256 -14.475 1.00 0.00 O ATOM 54 CB PRO A 5 13.279 -5.594 -13.101 1.00 0.00 C ATOM 55 CG PRO A 5 13.128 -7.100 -12.904 1.00 0.00 C ATOM 56 CD PRO A 5 12.514 -7.554 -14.226 1.00 0.00 C ATOM 0 HA PRO A 5 13.145 -4.517 -14.963 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.093 -5.190 -12.500 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.374 -5.059 -12.813 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.088 -7.582 -12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.483 -7.335 -12.057 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.832 -8.567 -14.472 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.426 -7.568 -14.162 1.00 0.00 H new ATOM 64 N THR A 6 15.460 -4.422 -15.717 1.00 0.00 N ATOM 65 CA THR A 6 16.847 -4.219 -16.119 1.00 0.00 C ATOM 66 C THR A 6 17.685 -3.595 -14.990 1.00 0.00 C ATOM 67 O THR A 6 18.906 -3.531 -15.101 1.00 0.00 O ATOM 68 CB THR A 6 16.871 -3.349 -17.390 1.00 0.00 C ATOM 69 OG1 THR A 6 15.792 -3.668 -18.258 1.00 0.00 O ATOM 70 CG2 THR A 6 18.168 -3.536 -18.171 1.00 0.00 C ATOM 0 H THR A 6 14.821 -3.732 -16.111 1.00 0.00 H new ATOM 0 HA THR A 6 17.302 -5.186 -16.334 1.00 0.00 H new ATOM 0 HB THR A 6 16.786 -2.316 -17.053 1.00 0.00 H new ATOM 0 HG1 THR A 6 15.833 -3.098 -19.054 1.00 0.00 H new ATOM 0 HG21 THR A 6 18.150 -2.907 -19.061 1.00 0.00 H new ATOM 0 HG22 THR A 6 19.014 -3.254 -17.544 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.268 -4.580 -18.466 1.00 0.00 H new ATOM 78 N TYR A 7 17.056 -3.178 -13.888 1.00 0.00 N ATOM 79 CA TYR A 7 17.708 -2.563 -12.745 1.00 0.00 C ATOM 80 C TYR A 7 17.692 -3.571 -11.584 1.00 0.00 C ATOM 81 O TYR A 7 16.698 -3.635 -10.855 1.00 0.00 O ATOM 82 CB TYR A 7 16.988 -1.242 -12.444 1.00 0.00 C ATOM 83 CG TYR A 7 17.805 -0.252 -11.649 1.00 0.00 C ATOM 84 CD1 TYR A 7 18.803 0.502 -12.295 1.00 0.00 C ATOM 85 CD2 TYR A 7 17.541 -0.049 -10.284 1.00 0.00 C ATOM 86 CE1 TYR A 7 19.558 1.444 -11.575 1.00 0.00 C ATOM 87 CE2 TYR A 7 18.290 0.893 -9.560 1.00 0.00 C ATOM 88 CZ TYR A 7 19.307 1.631 -10.198 1.00 0.00 C ATOM 89 OH TYR A 7 20.017 2.536 -9.477 1.00 0.00 O ATOM 0 H TYR A 7 16.047 -3.265 -13.770 1.00 0.00 H new ATOM 0 HA TYR A 7 18.754 -2.318 -12.930 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.696 -0.779 -13.386 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.070 -1.459 -11.897 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.989 0.356 -13.349 1.00 0.00 H new ATOM 0 HD2 TYR A 7 16.764 -0.616 -9.793 1.00 0.00 H new ATOM 0 HE1 TYR A 7 20.325 2.021 -12.071 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.086 1.052 -8.511 1.00 0.00 H new ATOM 0 HH TYR A 7 19.707 2.529 -8.547 1.00 0.00 H new ATOM 99 N PRO A 8 18.709 -4.440 -11.443 1.00 0.00 N ATOM 100 CA PRO A 8 18.765 -5.435 -10.382 1.00 0.00 C ATOM 101 C PRO A 8 18.977 -4.785 -9.011 1.00 0.00 C ATOM 102 O PRO A 8 20.038 -4.218 -8.740 1.00 0.00 O ATOM 103 CB PRO A 8 19.921 -6.362 -10.769 1.00 0.00 C ATOM 104 CG PRO A 8 20.879 -5.449 -11.528 1.00 0.00 C ATOM 105 CD PRO A 8 19.929 -4.491 -12.240 1.00 0.00 C ATOM 0 HA PRO A 8 17.829 -5.985 -10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 8 20.396 -6.798 -9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.580 -7.190 -11.391 1.00 0.00 H new ATOM 0 HG2 PRO A 8 21.557 -4.923 -10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 8 21.497 -6.005 -12.232 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.374 -3.500 -12.330 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.716 -4.838 -13.251 1.00 0.00 H new ATOM 113 N GLY A 9 17.971 -4.862 -8.139 1.00 0.00 N ATOM 114 CA GLY A 9 18.032 -4.310 -6.795 1.00 0.00 C ATOM 115 C GLY A 9 18.921 -5.144 -5.877 1.00 0.00 C ATOM 116 O GLY A 9 19.352 -6.245 -6.253 1.00 0.00 O ATOM 0 H GLY A 9 17.083 -5.316 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.412 -3.289 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 9 17.026 -4.258 -6.378 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO B 11 14.371 3.538 -0.753 1.00 0.00 N ATOM 122 CA PRO B 11 13.108 4.249 -0.794 1.00 0.00 C ATOM 123 C PRO B 11 12.312 3.700 0.392 1.00 0.00 C ATOM 124 O PRO B 11 12.213 2.478 0.570 1.00 0.00 O ATOM 125 CB PRO B 11 12.459 3.898 -2.127 1.00 0.00 C ATOM 126 CG PRO B 11 13.033 2.524 -2.460 1.00 0.00 C ATOM 127 CD PRO B 11 14.390 2.477 -1.752 1.00 0.00 C ATOM 0 HA PRO B 11 13.183 5.334 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO B 11 11.372 3.869 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO B 11 12.703 4.631 -2.896 1.00 0.00 H new ATOM 0 HG2 PRO B 11 12.377 1.727 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO B 11 13.145 2.394 -3.536 1.00 0.00 H new ATOM 0 HD2 PRO B 11 14.550 1.506 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO B 11 15.204 2.627 -2.462 1.00 0.00 H new ATOM 135 N VAL B 12 11.696 4.581 1.168 1.00 0.00 N ATOM 136 CA VAL B 12 10.924 4.262 2.332 1.00 0.00 C ATOM 137 C VAL B 12 9.599 5.000 2.198 1.00 0.00 C ATOM 138 O VAL B 12 8.592 4.388 1.844 1.00 0.00 O ATOM 139 CB VAL B 12 11.780 4.654 3.549 1.00 0.00 C ATOM 140 CG1 VAL B 12 12.559 3.433 4.045 1.00 0.00 C ATOM 141 CG2 VAL B 12 12.796 5.807 3.382 1.00 0.00 C ATOM 0 H VAL B 12 11.731 5.583 0.982 1.00 0.00 H new ATOM 0 HA VAL B 12 10.677 3.207 2.452 1.00 0.00 H new ATOM 0 HB VAL B 12 11.035 5.028 4.251 1.00 0.00 H new ATOM 0 HG11 VAL B 12 13.164 3.713 4.907 1.00 0.00 H new ATOM 0 HG12 VAL B 12 11.860 2.648 4.332 1.00 0.00 H new ATOM 0 HG13 VAL B 12 13.208 3.068 3.249 1.00 0.00 H new ATOM 0 HG21 VAL B 12 13.323 5.967 4.323 1.00 0.00 H new ATOM 0 HG22 VAL B 12 13.514 5.550 2.603 1.00 0.00 H new ATOM 0 HG23 VAL B 12 12.269 6.719 3.102 1.00 0.00 H new ATOM 151 N GLU B 13 9.595 6.319 2.380 1.00 0.00 N ATOM 152 CA GLU B 13 8.397 7.133 2.236 1.00 0.00 C ATOM 153 C GLU B 13 7.934 7.053 0.767 1.00 0.00 C ATOM 154 O GLU B 13 6.740 7.156 0.479 1.00 0.00 O ATOM 155 CB GLU B 13 8.730 8.549 2.719 1.00 0.00 C ATOM 156 CG GLU B 13 7.772 9.633 2.211 1.00 0.00 C ATOM 157 CD GLU B 13 8.295 11.037 2.491 1.00 0.00 C ATOM 158 OE1 GLU B 13 9.500 11.268 2.220 1.00 0.00 O ATOM 159 OE2 GLU B 13 7.445 11.950 2.506 1.00 0.00 O ATOM 0 H GLU B 13 10.427 6.852 2.632 1.00 0.00 H new ATOM 0 HA GLU B 13 7.563 6.781 2.843 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.725 8.559 3.809 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.743 8.799 2.403 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.622 9.510 1.138 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.799 9.508 2.686 1.00 0.00 H new ATOM 166 N ASP B 14 8.866 6.794 -0.155 1.00 0.00 N ATOM 167 CA ASP B 14 8.655 6.654 -1.593 1.00 0.00 C ATOM 168 C ASP B 14 8.497 5.173 -1.988 1.00 0.00 C ATOM 169 O ASP B 14 8.812 4.776 -3.111 1.00 0.00 O ATOM 170 CB ASP B 14 9.791 7.356 -2.344 1.00 0.00 C ATOM 171 CG ASP B 14 9.443 7.740 -3.786 1.00 0.00 C ATOM 172 OD1 ASP B 14 8.388 7.345 -4.323 1.00 0.00 O ATOM 173 OD2 ASP B 14 10.193 8.574 -4.340 1.00 0.00 O ATOM 0 H ASP B 14 9.845 6.670 0.101 1.00 0.00 H new ATOM 0 HA ASP B 14 7.721 7.139 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP B 14 10.072 8.256 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP B 14 10.664 6.703 -2.354 1.00 0.00 H new ATOM 178 N LEU B 15 8.114 4.325 -1.025 1.00 0.00 N ATOM 179 CA LEU B 15 7.878 2.895 -1.198 1.00 0.00 C ATOM 180 C LEU B 15 6.553 2.503 -0.537 1.00 0.00 C ATOM 181 O LEU B 15 5.704 1.868 -1.163 1.00 0.00 O ATOM 182 CB LEU B 15 9.044 2.061 -0.639 1.00 0.00 C ATOM 183 CG LEU B 15 8.747 0.549 -0.699 1.00 0.00 C ATOM 184 CD1 LEU B 15 8.552 0.050 -2.136 1.00 0.00 C ATOM 185 CD2 LEU B 15 9.912 -0.208 -0.083 1.00 0.00 C ATOM 0 H LEU B 15 7.955 4.634 -0.066 1.00 0.00 H new ATOM 0 HA LEU B 15 7.814 2.683 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU B 15 9.950 2.276 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.237 2.353 0.393 1.00 0.00 H new ATOM 0 HG LEU B 15 7.821 0.374 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.345 -1.020 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU B 15 7.714 0.576 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU B 15 9.457 0.239 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU B 15 9.711 -1.279 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU B 15 10.823 0.010 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU B 15 10.039 0.101 0.955 1.00 0.00 H new ATOM 197 N ILE B 16 6.324 2.888 0.723 1.00 0.00 N ATOM 198 CA ILE B 16 5.072 2.524 1.396 1.00 0.00 C ATOM 199 C ILE B 16 3.856 3.242 0.810 1.00 0.00 C ATOM 200 O ILE B 16 2.721 2.820 1.033 1.00 0.00 O ATOM 201 CB ILE B 16 5.153 2.587 2.923 1.00 0.00 C ATOM 202 CG1 ILE B 16 4.756 3.924 3.557 1.00 0.00 C ATOM 203 CG2 ILE B 16 6.498 2.034 3.425 1.00 0.00 C ATOM 204 CD1 ILE B 16 5.669 5.109 3.261 1.00 0.00 C ATOM 0 H ILE B 16 6.972 3.439 1.287 1.00 0.00 H new ATOM 0 HA ILE B 16 4.918 1.467 1.179 1.00 0.00 H new ATOM 0 HB ILE B 16 4.365 1.926 3.284 1.00 0.00 H new ATOM 0 HG12 ILE B 16 3.749 4.176 3.223 1.00 0.00 H new ATOM 0 HG13 ILE B 16 4.709 3.790 4.638 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.531 2.090 4.513 1.00 0.00 H new ATOM 0 HG22 ILE B 16 6.604 0.996 3.111 1.00 0.00 H new ATOM 0 HG23 ILE B 16 7.313 2.624 3.007 1.00 0.00 H new ATOM 0 HD11 ILE B 16 5.286 5.998 3.763 1.00 0.00 H new ATOM 0 HD12 ILE B 16 6.674 4.893 3.622 1.00 0.00 H new ATOM 0 HD13 ILE B 16 5.700 5.285 2.186 1.00 0.00 H new ATOM 216 N ARG B 17 4.074 4.281 -0.002 1.00 0.00 N ATOM 217 CA ARG B 17 3.015 5.053 -0.641 1.00 0.00 C ATOM 218 C ARG B 17 2.135 4.216 -1.579 1.00 0.00 C ATOM 219 O ARG B 17 1.106 4.704 -2.031 1.00 0.00 O ATOM 220 CB ARG B 17 3.614 6.276 -1.361 1.00 0.00 C ATOM 221 CG ARG B 17 4.711 5.888 -2.365 1.00 0.00 C ATOM 222 CD ARG B 17 4.865 6.892 -3.505 1.00 0.00 C ATOM 223 NE ARG B 17 5.546 8.140 -3.147 1.00 0.00 N ATOM 224 CZ ARG B 17 6.004 9.017 -4.049 1.00 0.00 C ATOM 225 NH1 ARG B 17 5.630 8.930 -5.326 1.00 0.00 N ATOM 226 NH2 ARG B 17 6.817 9.996 -3.669 1.00 0.00 N ATOM 0 H ARG B 17 5.010 4.612 -0.235 1.00 0.00 H new ATOM 0 HA ARG B 17 2.347 5.399 0.148 1.00 0.00 H new ATOM 0 HB2 ARG B 17 2.821 6.811 -1.883 1.00 0.00 H new ATOM 0 HB3 ARG B 17 4.028 6.962 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG B 17 5.661 5.797 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG B 17 4.483 4.907 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG B 17 5.416 6.416 -4.316 1.00 0.00 H new ATOM 0 HD3 ARG B 17 3.875 7.134 -3.891 1.00 0.00 H new ATOM 0 HE ARG B 17 5.678 8.351 -2.158 1.00 0.00 H new ATOM 0 HH11 ARG B 17 4.991 8.192 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG B 17 5.983 9.602 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.092 10.079 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.166 10.664 -4.356 1.00 0.00 H new ATOM 240 N PHE B 18 2.522 2.990 -1.927 1.00 0.00 N ATOM 241 CA PHE B 18 1.728 2.110 -2.787 1.00 0.00 C ATOM 242 C PHE B 18 0.946 1.081 -1.946 1.00 0.00 C ATOM 243 O PHE B 18 0.037 0.423 -2.450 1.00 0.00 O ATOM 244 CB PHE B 18 2.622 1.472 -3.859 1.00 0.00 C ATOM 245 CG PHE B 18 1.884 0.536 -4.797 1.00 0.00 C ATOM 246 CD1 PHE B 18 0.832 1.019 -5.601 1.00 0.00 C ATOM 247 CD2 PHE B 18 2.198 -0.835 -4.813 1.00 0.00 C ATOM 248 CE1 PHE B 18 0.102 0.140 -6.418 1.00 0.00 C ATOM 249 CE2 PHE B 18 1.450 -1.717 -5.609 1.00 0.00 C ATOM 250 CZ PHE B 18 0.404 -1.231 -6.413 1.00 0.00 C ATOM 0 H PHE B 18 3.401 2.575 -1.619 1.00 0.00 H new ATOM 0 HA PHE B 18 0.976 2.697 -3.315 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.091 2.263 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE B 18 3.424 0.921 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE B 18 0.586 2.071 -5.589 1.00 0.00 H new ATOM 0 HD2 PHE B 18 3.014 -1.209 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE B 18 -0.689 0.518 -7.048 1.00 0.00 H new ATOM 0 HE2 PHE B 18 1.679 -2.772 -5.604 1.00 0.00 H new ATOM 0 HZ PHE B 18 -0.167 -1.912 -7.027 1.00 0.00 H new ATOM 260 N TYR B 19 1.218 0.988 -0.642 1.00 0.00 N ATOM 261 CA TYR B 19 0.561 0.074 0.290 1.00 0.00 C ATOM 262 C TYR B 19 -0.407 0.864 1.170 1.00 0.00 C ATOM 263 O TYR B 19 -1.528 0.437 1.440 1.00 0.00 O ATOM 264 CB TYR B 19 1.641 -0.604 1.142 1.00 0.00 C ATOM 265 CG TYR B 19 1.305 -1.991 1.652 1.00 0.00 C ATOM 266 CD1 TYR B 19 0.298 -2.177 2.617 1.00 0.00 C ATOM 267 CD2 TYR B 19 2.036 -3.099 1.180 1.00 0.00 C ATOM 268 CE1 TYR B 19 0.015 -3.465 3.100 1.00 0.00 C ATOM 269 CE2 TYR B 19 1.768 -4.386 1.673 1.00 0.00 C ATOM 270 CZ TYR B 19 0.759 -4.574 2.639 1.00 0.00 C ATOM 271 OH TYR B 19 0.495 -5.826 3.089 1.00 0.00 O ATOM 0 H TYR B 19 1.927 1.568 -0.192 1.00 0.00 H new ATOM 0 HA TYR B 19 -0.005 -0.687 -0.247 1.00 0.00 H new ATOM 0 HB2 TYR B 19 2.556 -0.666 0.553 1.00 0.00 H new ATOM 0 HB3 TYR B 19 1.856 0.035 1.998 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -0.258 -1.328 2.987 1.00 0.00 H new ATOM 0 HD2 TYR B 19 2.806 -2.958 0.436 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -0.773 -3.608 3.825 1.00 0.00 H new ATOM 0 HE2 TYR B 19 2.335 -5.232 1.312 1.00 0.00 H new ATOM 0 HH TYR B 19 1.105 -6.463 2.662 1.00 0.00 H new ATOM 281 N ASN B 20 -0.005 2.068 1.578 1.00 0.00 N ATOM 282 CA ASN B 20 -0.808 2.942 2.420 1.00 0.00 C ATOM 283 C ASN B 20 -2.071 3.401 1.698 1.00 0.00 C ATOM 284 O ASN B 20 -3.103 3.573 2.336 1.00 0.00 O ATOM 285 CB ASN B 20 0.035 4.136 2.876 1.00 0.00 C ATOM 286 CG ASN B 20 0.934 3.780 4.054 1.00 0.00 C ATOM 287 OD1 ASN B 20 1.177 2.612 4.356 1.00 0.00 O ATOM 288 ND2 ASN B 20 1.387 4.774 4.790 1.00 0.00 N ATOM 0 H ASN B 20 0.900 2.465 1.327 1.00 0.00 H new ATOM 0 HA ASN B 20 -1.128 2.382 3.299 1.00 0.00 H new ATOM 0 HB2 ASN B 20 0.647 4.487 2.045 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -0.623 4.959 3.157 1.00 0.00 H new ATOM 0 HD21 ASN B 20 1.946 4.580 5.621 1.00 0.00 H new ATOM 0 HD22 ASN B 20 1.179 5.738 4.529 1.00 0.00 H new ATOM 295 N ASP B 21 -2.054 3.455 0.370 1.00 0.00 N ATOM 296 CA ASP B 21 -3.197 3.871 -0.437 1.00 0.00 C ATOM 297 C ASP B 21 -4.353 2.884 -0.271 1.00 0.00 C ATOM 298 O ASP B 21 -5.516 3.285 -0.366 1.00 0.00 O ATOM 299 CB ASP B 21 -2.799 4.000 -1.913 1.00 0.00 C ATOM 300 CG ASP B 21 -2.335 5.409 -2.269 1.00 0.00 C ATOM 301 OD1 ASP B 21 -1.508 5.995 -1.542 1.00 0.00 O ATOM 302 OD2 ASP B 21 -2.804 5.942 -3.300 1.00 0.00 O ATOM 0 H ASP B 21 -1.234 3.208 -0.184 1.00 0.00 H new ATOM 0 HA ASP B 21 -3.528 4.850 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -2.001 3.291 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -3.649 3.731 -2.541 1.00 0.00 H new ATOM 307 N LEU B 22 -4.070 1.616 0.069 1.00 0.00 N ATOM 308 CA LEU B 22 -5.082 0.576 0.279 1.00 0.00 C ATOM 309 C LEU B 22 -6.014 0.964 1.426 1.00 0.00 C ATOM 310 O LEU B 22 -7.119 0.431 1.532 1.00 0.00 O ATOM 311 CB LEU B 22 -4.431 -0.768 0.652 1.00 0.00 C ATOM 312 CG LEU B 22 -3.484 -1.354 -0.408 1.00 0.00 C ATOM 313 CD1 LEU B 22 -2.683 -2.509 0.201 1.00 0.00 C ATOM 314 CD2 LEU B 22 -4.262 -1.855 -1.627 1.00 0.00 C ATOM 0 H LEU B 22 -3.116 1.283 0.207 1.00 0.00 H new ATOM 0 HA LEU B 22 -5.635 0.477 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -3.875 -0.639 1.581 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -5.220 -1.493 0.851 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.807 -0.565 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -2.012 -2.923 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -2.099 -2.142 1.045 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.367 -3.285 0.544 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.566 -2.264 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.962 -2.632 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.813 -1.027 -2.073 1.00 0.00 H new ATOM 326 N GLN B 23 -5.570 1.871 2.302 1.00 0.00 N ATOM 327 CA GLN B 23 -6.380 2.310 3.423 1.00 0.00 C ATOM 328 C GLN B 23 -7.655 2.978 2.901 1.00 0.00 C ATOM 329 O GLN B 23 -8.730 2.740 3.451 1.00 0.00 O ATOM 330 CB GLN B 23 -5.582 3.246 4.349 1.00 0.00 C ATOM 331 CG GLN B 23 -4.338 2.651 5.050 1.00 0.00 C ATOM 332 CD GLN B 23 -4.244 1.129 5.031 1.00 0.00 C ATOM 333 OE1 GLN B 23 -4.907 0.460 5.822 1.00 0.00 O ATOM 334 NE2 GLN B 23 -3.435 0.548 4.158 1.00 0.00 N ATOM 0 H GLN B 23 -4.651 2.311 2.249 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.665 1.444 4.021 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.261 4.108 3.764 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.258 3.618 5.119 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -3.445 3.060 4.577 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.331 2.986 6.087 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -2.892 1.117 3.509 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -3.355 -0.469 4.135 1.00 0.00 H new ATOM 343 N GLN B 24 -7.561 3.771 1.826 1.00 0.00 N ATOM 344 CA GLN B 24 -8.724 4.445 1.262 1.00 0.00 C ATOM 345 C GLN B 24 -9.670 3.447 0.589 1.00 0.00 C ATOM 346 O GLN B 24 -10.881 3.630 0.659 1.00 0.00 O ATOM 347 CB GLN B 24 -8.298 5.560 0.297 1.00 0.00 C ATOM 348 CG GLN B 24 -9.429 6.593 0.189 1.00 0.00 C ATOM 349 CD GLN B 24 -9.095 7.724 -0.776 1.00 0.00 C ATOM 350 OE1 GLN B 24 -9.241 7.589 -1.989 1.00 0.00 O ATOM 351 NE2 GLN B 24 -8.655 8.859 -0.267 1.00 0.00 N ATOM 0 H GLN B 24 -6.688 3.958 1.333 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.273 4.911 2.080 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -7.386 6.038 0.654 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -8.076 5.142 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -10.341 6.095 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -9.632 7.009 1.176 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -8.539 8.955 0.742 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -8.430 9.641 -0.882 1.00 0.00 H new ATOM 360 N TYR B 25 -9.134 2.392 -0.031 1.00 0.00 N ATOM 361 CA TYR B 25 -9.914 1.351 -0.700 1.00 0.00 C ATOM 362 C TYR B 25 -10.871 0.746 0.315 1.00 0.00 C ATOM 363 O TYR B 25 -12.081 0.875 0.156 1.00 0.00 O ATOM 364 CB TYR B 25 -8.964 0.316 -1.322 1.00 0.00 C ATOM 365 CG TYR B 25 -9.627 -0.734 -2.184 1.00 0.00 C ATOM 366 CD1 TYR B 25 -10.280 -0.360 -3.374 1.00 0.00 C ATOM 367 CD2 TYR B 25 -9.525 -2.094 -1.839 1.00 0.00 C ATOM 368 CE1 TYR B 25 -10.834 -1.339 -4.215 1.00 0.00 C ATOM 369 CE2 TYR B 25 -10.089 -3.072 -2.672 1.00 0.00 C ATOM 370 CZ TYR B 25 -10.752 -2.700 -3.859 1.00 0.00 C ATOM 371 OH TYR B 25 -11.306 -3.655 -4.648 1.00 0.00 O ATOM 0 H TYR B 25 -8.127 2.236 -0.082 1.00 0.00 H new ATOM 0 HA TYR B 25 -10.507 1.760 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -8.224 0.843 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -8.423 -0.185 -0.519 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -10.355 0.684 -3.641 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -9.013 -2.385 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -11.322 -1.049 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -10.015 -4.115 -2.402 1.00 0.00 H new ATOM 0 HH TYR B 25 -11.153 -4.537 -4.250 1.00 0.00 H new ATOM 381 N LEU B 26 -10.374 0.242 1.446 1.00 0.00 N ATOM 382 CA LEU B 26 -11.218 -0.336 2.472 1.00 0.00 C ATOM 383 C LEU B 26 -12.194 0.693 3.060 1.00 0.00 C ATOM 384 O LEU B 26 -13.293 0.340 3.499 1.00 0.00 O ATOM 385 CB LEU B 26 -10.266 -0.988 3.498 1.00 0.00 C ATOM 386 CG LEU B 26 -10.035 -0.280 4.856 1.00 0.00 C ATOM 387 CD1 LEU B 26 -11.097 -0.605 5.915 1.00 0.00 C ATOM 388 CD2 LEU B 26 -8.678 -0.701 5.424 1.00 0.00 C ATOM 0 H LEU B 26 -9.379 0.227 1.668 1.00 0.00 H new ATOM 0 HA LEU B 26 -11.884 -1.100 2.071 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -10.642 -1.989 3.708 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -9.295 -1.107 3.018 1.00 0.00 H new ATOM 0 HG LEU B 26 -10.087 0.789 4.647 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.866 -0.072 6.837 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -12.078 -0.296 5.553 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -11.102 -1.678 6.108 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -8.514 -0.204 6.380 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -8.664 -1.781 5.570 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -7.889 -0.419 4.728 1.00 0.00 H new ATOM 400 N ASN B 27 -11.824 1.977 3.021 1.00 0.00 N ATOM 401 CA ASN B 27 -12.621 3.091 3.519 1.00 0.00 C ATOM 402 C ASN B 27 -13.832 3.393 2.643 1.00 0.00 C ATOM 403 O ASN B 27 -14.701 4.160 3.058 1.00 0.00 O ATOM 404 CB ASN B 27 -11.769 4.359 3.588 1.00 0.00 C ATOM 405 CG ASN B 27 -12.141 5.262 4.750 1.00 0.00 C ATOM 406 OD1 ASN B 27 -13.154 5.075 5.424 1.00 0.00 O ATOM 407 ND2 ASN B 27 -11.248 6.175 5.079 1.00 0.00 N ATOM 0 H ASN B 27 -10.931 2.274 2.628 1.00 0.00 H new ATOM 0 HA ASN B 27 -12.972 2.793 4.507 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -10.719 4.080 3.674 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -11.876 4.913 2.656 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -11.387 6.748 5.911 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -10.418 6.308 4.501 1.00 0.00 H new ATOM 414 N VAL B 28 -13.934 2.786 1.462 1.00 0.00 N ATOM 415 CA VAL B 28 -15.054 2.999 0.551 1.00 0.00 C ATOM 416 C VAL B 28 -15.585 1.676 0.008 1.00 0.00 C ATOM 417 O VAL B 28 -16.773 1.404 0.171 1.00 0.00 O ATOM 418 CB VAL B 28 -14.674 3.977 -0.584 1.00 0.00 C ATOM 419 CG1 VAL B 28 -15.922 4.395 -1.380 1.00 0.00 C ATOM 420 CG2 VAL B 28 -14.055 5.278 -0.060 1.00 0.00 C ATOM 0 H VAL B 28 -13.238 2.129 1.110 1.00 0.00 H new ATOM 0 HA VAL B 28 -15.862 3.461 1.117 1.00 0.00 H new ATOM 0 HB VAL B 28 -13.953 3.439 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -15.633 5.083 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -16.388 3.512 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -16.631 4.887 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.808 5.927 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.768 5.783 0.592 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.149 5.050 0.501 1.00 0.00 H new ATOM 430 N VAL B 29 -14.725 0.817 -0.545 1.00 0.00 N ATOM 431 CA VAL B 29 -15.102 -0.456 -1.133 1.00 0.00 C ATOM 432 C VAL B 29 -15.939 -1.305 -0.188 1.00 0.00 C ATOM 433 O VAL B 29 -17.149 -1.465 -0.372 1.00 0.00 O ATOM 434 CB VAL B 29 -13.882 -1.115 -1.844 1.00 0.00 C ATOM 435 CG1 VAL B 29 -13.572 -2.569 -1.455 1.00 0.00 C ATOM 436 CG2 VAL B 29 -14.163 -1.060 -3.352 1.00 0.00 C ATOM 0 H VAL B 29 -13.723 0.999 -0.594 1.00 0.00 H new ATOM 0 HA VAL B 29 -15.808 -0.307 -1.950 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.002 -0.554 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.704 -2.918 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -13.361 -2.623 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -14.431 -3.199 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -13.332 -1.512 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -15.080 -1.607 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -14.277 -0.022 -3.663 1.00 0.00 H new ATOM 446 N THR B 30 -15.326 -1.793 0.873 1.00 0.00 N ATOM 447 CA THR B 30 -15.997 -2.620 1.849 1.00 0.00 C ATOM 448 C THR B 30 -16.846 -1.757 2.781 1.00 0.00 C ATOM 449 O THR B 30 -17.922 -2.200 3.188 1.00 0.00 O ATOM 450 CB THR B 30 -14.964 -3.468 2.593 1.00 0.00 C ATOM 451 OG1 THR B 30 -13.739 -2.780 2.786 1.00 0.00 O ATOM 452 CG2 THR B 30 -14.627 -4.758 1.846 1.00 0.00 C ATOM 0 H THR B 30 -14.342 -1.624 1.081 1.00 0.00 H new ATOM 0 HA THR B 30 -16.684 -3.306 1.354 1.00 0.00 H new ATOM 0 HB THR B 30 -15.431 -3.691 3.552 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.921 -1.842 3.005 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.890 -5.325 2.414 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.531 -5.356 1.726 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.220 -4.514 0.865 1.00 0.00 H new ATOM 460 N ARG B 31 -16.499 -0.476 2.966 1.00 0.00 N ATOM 461 CA ARG B 31 -17.243 0.434 3.838 1.00 0.00 C ATOM 462 C ARG B 31 -18.660 0.698 3.348 1.00 0.00 C ATOM 463 O ARG B 31 -19.521 1.067 4.141 1.00 0.00 O ATOM 464 CB ARG B 31 -16.466 1.758 3.925 1.00 0.00 C ATOM 465 CG ARG B 31 -17.016 2.829 4.879 1.00 0.00 C ATOM 466 CD ARG B 31 -16.778 2.461 6.335 1.00 0.00 C ATOM 467 NE ARG B 31 -17.240 3.517 7.246 1.00 0.00 N ATOM 468 CZ ARG B 31 -16.503 4.488 7.796 1.00 0.00 C ATOM 469 NH1 ARG B 31 -15.249 4.717 7.417 1.00 0.00 N ATOM 470 NH2 ARG B 31 -17.011 5.174 8.808 1.00 0.00 N ATOM 0 H ARG B 31 -15.693 -0.044 2.513 1.00 0.00 H new ATOM 0 HA ARG B 31 -17.337 -0.035 4.817 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -15.443 1.531 4.225 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -16.417 2.188 2.925 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -16.542 3.786 4.663 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -18.085 2.956 4.706 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -17.297 1.530 6.564 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -15.715 2.281 6.496 1.00 0.00 H new ATOM 0 HE ARG B 31 -18.232 3.509 7.485 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -14.824 4.144 6.688 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -14.712 5.465 7.856 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -17.946 4.957 9.153 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -16.467 5.919 9.243 1.00 0.00 H new ATOM 484 N HIS B 32 -18.935 0.374 2.096 1.00 0.00 N ATOM 485 CA HIS B 32 -20.220 0.547 1.450 1.00 0.00 C ATOM 486 C HIS B 32 -20.705 -0.802 0.904 1.00 0.00 C ATOM 487 O HIS B 32 -20.965 -0.981 -0.285 1.00 0.00 O ATOM 488 CB HIS B 32 -20.168 1.743 0.475 1.00 0.00 C ATOM 489 CG HIS B 32 -21.103 2.876 0.842 1.00 0.00 C ATOM 490 ND1 HIS B 32 -21.837 3.615 -0.054 1.00 0.00 N ATOM 491 CD2 HIS B 32 -21.383 3.364 2.093 1.00 0.00 C ATOM 492 CE1 HIS B 32 -22.598 4.477 0.634 1.00 0.00 C ATOM 493 NE2 HIS B 32 -22.351 4.370 1.952 1.00 0.00 N ATOM 0 H HIS B 32 -18.236 -0.035 1.476 1.00 0.00 H new ATOM 0 HA HIS B 32 -21.003 0.837 2.151 1.00 0.00 H new ATOM 0 HB2 HIS B 32 -19.148 2.125 0.438 1.00 0.00 H new ATOM 0 HB3 HIS B 32 -20.414 1.393 -0.527 1.00 0.00 H new ATOM 0 HD2 HIS B 32 -20.938 3.033 3.020 1.00 0.00 H new ATOM 0 HE1 HIS B 32 -23.309 5.160 0.193 1.00 0.00 H new ATOM 0 HE2 HIS B 32 -22.782 4.913 2.701 1.00 0.00 H new ATOM 501 N ARG B 33 -20.870 -1.745 1.842 1.00 0.00 N ATOM 502 CA ARG B 33 -21.353 -3.114 1.646 1.00 0.00 C ATOM 503 C ARG B 33 -20.654 -3.867 0.504 1.00 0.00 C ATOM 504 O ARG B 33 -21.350 -4.452 -0.334 1.00 0.00 O ATOM 505 CB ARG B 33 -22.885 -3.073 1.437 1.00 0.00 C ATOM 506 CG ARG B 33 -23.682 -2.245 2.459 1.00 0.00 C ATOM 507 CD ARG B 33 -25.183 -2.273 2.146 1.00 0.00 C ATOM 508 NE ARG B 33 -25.477 -1.679 0.828 1.00 0.00 N ATOM 509 CZ ARG B 33 -26.676 -1.372 0.324 1.00 0.00 C ATOM 510 NH1 ARG B 33 -27.786 -1.683 0.983 1.00 0.00 N ATOM 511 NH2 ARG B 33 -26.735 -0.730 -0.838 1.00 0.00 N ATOM 0 H ARG B 33 -20.655 -1.557 2.821 1.00 0.00 H new ATOM 0 HA ARG B 33 -21.105 -3.681 2.543 1.00 0.00 H new ATOM 0 HB2 ARG B 33 -23.086 -2.676 0.442 1.00 0.00 H new ATOM 0 HB3 ARG B 33 -23.262 -4.096 1.454 1.00 0.00 H new ATOM 0 HG2 ARG B 33 -23.510 -2.636 3.462 1.00 0.00 H new ATOM 0 HG3 ARG B 33 -23.326 -1.215 2.453 1.00 0.00 H new ATOM 0 HD2 ARG B 33 -25.540 -3.303 2.169 1.00 0.00 H new ATOM 0 HD3 ARG B 33 -25.726 -1.730 2.919 1.00 0.00 H new ATOM 0 HE ARG B 33 -24.673 -1.480 0.233 1.00 0.00 H new ATOM 0 HH11 ARG B 33 -27.728 -2.161 1.882 1.00 0.00 H new ATOM 0 HH12 ARG B 33 -28.696 -1.444 0.590 1.00 0.00 H new ATOM 0 HH21 ARG B 33 -25.875 -0.481 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG B 33 -27.640 -0.486 -1.241 1.00 0.00 H new ATOM 525 N TYR B 34 -19.316 -3.950 0.522 1.00 0.00 N ATOM 526 CA TYR B 34 -18.524 -4.626 -0.516 1.00 0.00 C ATOM 527 C TYR B 34 -18.979 -4.138 -1.896 1.00 0.00 C ATOM 528 O TYR B 34 -19.644 -4.823 -2.670 1.00 0.00 O ATOM 529 CB TYR B 34 -18.536 -6.155 -0.344 1.00 0.00 C ATOM 530 CG TYR B 34 -17.587 -6.889 -1.281 1.00 0.00 C ATOM 531 CD1 TYR B 34 -16.195 -6.779 -1.106 1.00 0.00 C ATOM 532 CD2 TYR B 34 -18.085 -7.669 -2.342 1.00 0.00 C ATOM 533 CE1 TYR B 34 -15.311 -7.419 -1.991 1.00 0.00 C ATOM 534 CE2 TYR B 34 -17.210 -8.325 -3.228 1.00 0.00 C ATOM 535 CZ TYR B 34 -15.813 -8.189 -3.062 1.00 0.00 C ATOM 536 OH TYR B 34 -14.948 -8.787 -3.925 1.00 0.00 O ATOM 0 H TYR B 34 -18.747 -3.545 1.266 1.00 0.00 H new ATOM 0 HA TYR B 34 -17.473 -4.357 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -18.273 -6.397 0.686 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -19.549 -6.521 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -15.803 -6.198 -0.285 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -19.152 -7.765 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -14.245 -7.321 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -17.604 -8.930 -4.031 1.00 0.00 H new ATOM 0 HH TYR B 34 -15.453 -9.280 -4.605 1.00 0.00 H new HETATM 546 N NH2 B 35 -18.876 -2.837 -2.091 1.00 0.00 N TER 549 NH2 B 35 HETATM 550 N EAB A 10 19.185 -4.621 -4.674 1.00 0.00 N HETATM 551 CA EAB A 10 20.012 -5.285 -3.675 1.00 0.00 C HETATM 552 CB EAB A 10 19.993 -4.695 -2.265 1.00 0.00 C HETATM 553 CG2 EAB A 10 20.810 -5.299 -1.288 1.00 0.00 C HETATM 554 CD2 EAB A 10 20.826 -4.820 0.034 1.00 0.00 C HETATM 555 CE EAB A 10 20.021 -3.726 0.397 1.00 0.00 C HETATM 556 CD1 EAB A 10 19.200 -3.112 -0.569 1.00 0.00 C HETATM 557 CG1 EAB A 10 19.185 -3.596 -1.894 1.00 0.00 C HETATM 558 NG EAB A 10 18.378 -2.045 -0.226 1.00 0.00 N HETATM 559 NI EAB A 10 17.964 -1.707 0.736 1.00 0.00 N HETATM 560 CI EAB A 10 17.160 -0.623 1.069 1.00 0.00 C HETATM 561 CJ2 EAB A 10 16.116 -0.816 1.990 1.00 0.00 C HETATM 562 CK2 EAB A 10 15.239 0.237 2.291 1.00 0.00 C HETATM 563 CL EAB A 10 15.377 1.478 1.649 1.00 0.00 C HETATM 564 CK1 EAB A 10 16.451 1.700 0.760 1.00 0.00 C HETATM 565 CJ1 EAB A 10 17.347 0.646 0.484 1.00 0.00 C HETATM 566 CM EAB A 10 16.645 3.042 0.062 1.00 0.00 C HETATM 567 C EAB A 10 15.413 3.944 -0.009 1.00 0.00 C HETATM 568 O EAB A 10 15.321 4.870 0.805 1.00 0.00 O HETATM 0 HN1 EAB A 10 18.631 -3.804 -4.416 1.00 0.00 H new HETATM 0 HM3 EAB A 10 16.992 2.854 -0.954 1.00 0.00 H new HETATM 0 HM2 EAB A 10 17.439 3.585 0.575 1.00 0.00 H new HETATM 0 HL EAB A 10 14.654 2.271 1.837 1.00 0.00 H new HETATM 0 HK2 EAB A 10 14.448 0.091 3.026 1.00 0.00 H new HETATM 0 HJ2 EAB A 10 15.987 -1.785 2.471 1.00 0.00 H new HETATM 0 HJ1 EAB A 10 18.190 0.814 -0.186 1.00 0.00 H new HETATM 0 HG2 EAB A 10 21.437 -6.148 -1.561 1.00 0.00 H new HETATM 0 HG1 EAB A 10 18.546 -3.119 -2.637 1.00 0.00 H new HETATM 0 HE EAB A 10 20.032 -3.354 1.422 1.00 0.00 H new HETATM 0 HD2 EAB A 10 21.463 -5.297 0.778 1.00 0.00 H new HETATM 0 HA3 EAB A 10 19.698 -6.327 -3.612 1.00 0.00 H new HETATM 0 HA2 EAB A 10 21.042 -5.283 -4.031 1.00 0.00 H new