USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 153:sc= 0.0358 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.6!) USER MOD Single : A 10 GLN : amide:sc= -8.19! C(o=-8.2!,f=-17!) USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= -0.0352 (180deg=-0.68) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -9.03! C(o=-9!,f=-7!) USER MOD Single : A 27 THR OG1 : rot 119:sc= -1.31! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -8.88! C(o=-8.9!,f=-20!) USER MOD Single : A 33 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.59 K(o=-1.6,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.976 -10.388 24.278 1.00 0.00 N ATOM 2 CA GLU A 1 5.180 -9.273 23.795 1.00 0.00 C ATOM 3 C GLU A 1 4.703 -9.540 22.366 1.00 0.00 C ATOM 4 O GLU A 1 5.365 -10.249 21.610 1.00 0.00 O ATOM 5 CB GLU A 1 5.965 -7.963 23.875 1.00 0.00 C ATOM 6 CG GLU A 1 5.388 -7.042 24.952 1.00 0.00 C ATOM 7 CD GLU A 1 4.221 -6.219 24.402 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.310 -5.829 23.218 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.267 -5.999 25.179 1.00 0.00 O ATOM 0 H1 GLU A 1 6.647 -10.050 24.997 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.351 -11.105 24.698 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.501 -10.809 23.485 1.00 0.00 H new ATOM 0 HA GLU A 1 4.304 -9.173 24.437 1.00 0.00 H new ATOM 0 HB2 GLU A 1 7.011 -8.175 24.095 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.938 -7.459 22.909 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.050 -7.636 25.801 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.167 -6.374 25.320 1.00 0.00 H new ATOM 16 N GLU A 2 3.558 -8.959 22.040 1.00 0.00 N ATOM 17 CA GLU A 2 2.986 -9.126 20.715 1.00 0.00 C ATOM 18 C GLU A 2 4.002 -8.728 19.643 1.00 0.00 C ATOM 19 O GLU A 2 5.081 -8.229 19.960 1.00 0.00 O ATOM 20 CB GLU A 2 1.693 -8.320 20.571 1.00 0.00 C ATOM 21 CG GLU A 2 1.978 -6.817 20.599 1.00 0.00 C ATOM 22 CD GLU A 2 0.828 -6.053 21.259 1.00 0.00 C ATOM 23 OE1 GLU A 2 0.671 -6.215 22.488 1.00 0.00 O ATOM 24 OE2 GLU A 2 0.133 -5.325 20.518 1.00 0.00 O ATOM 0 H GLU A 2 3.011 -8.372 22.670 1.00 0.00 H new ATOM 0 HA GLU A 2 2.737 -10.178 20.578 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.199 -8.583 19.636 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.007 -8.579 21.378 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.904 -6.629 21.143 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.126 -6.452 19.583 1.00 0.00 H new ATOM 31 N TYR A 3 3.623 -8.964 18.396 1.00 0.00 N ATOM 32 CA TYR A 3 4.488 -8.637 17.275 1.00 0.00 C ATOM 33 C TYR A 3 3.681 -8.063 16.108 1.00 0.00 C ATOM 34 O TYR A 3 2.502 -8.378 15.951 1.00 0.00 O ATOM 35 CB TYR A 3 5.129 -9.955 16.838 1.00 0.00 C ATOM 36 CG TYR A 3 4.225 -10.825 15.961 1.00 0.00 C ATOM 37 CD1 TYR A 3 3.330 -11.697 16.546 1.00 0.00 C ATOM 38 CD2 TYR A 3 4.306 -10.738 14.586 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.480 -12.516 15.721 1.00 0.00 C ATOM 40 CE2 TYR A 3 3.456 -11.557 13.761 1.00 0.00 C ATOM 41 CZ TYR A 3 2.585 -12.406 14.369 1.00 0.00 C ATOM 42 OH TYR A 3 1.782 -13.179 13.590 1.00 0.00 O ATOM 0 H TYR A 3 2.728 -9.378 18.137 1.00 0.00 H new ATOM 0 HA TYR A 3 5.226 -7.890 17.566 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.047 -9.738 16.292 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.412 -10.522 17.725 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.267 -11.765 17.622 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.007 -10.056 14.129 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.775 -13.202 16.166 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.509 -11.498 12.684 1.00 0.00 H new ATOM 0 HH TYR A 3 1.966 -12.994 12.645 1.00 0.00 H new ATOM 52 N VAL A 4 4.348 -7.233 15.321 1.00 0.00 N ATOM 53 CA VAL A 4 3.708 -6.613 14.173 1.00 0.00 C ATOM 54 C VAL A 4 4.383 -7.103 12.891 1.00 0.00 C ATOM 55 O VAL A 4 4.967 -8.186 12.868 1.00 0.00 O ATOM 56 CB VAL A 4 3.734 -5.090 14.318 1.00 0.00 C ATOM 57 CG1 VAL A 4 3.159 -4.658 15.668 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.151 -4.546 14.126 1.00 0.00 C ATOM 0 H VAL A 4 5.326 -6.975 15.455 1.00 0.00 H new ATOM 0 HA VAL A 4 2.659 -6.903 14.119 1.00 0.00 H new ATOM 0 HB VAL A 4 3.104 -4.668 13.535 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.189 -3.571 15.745 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.127 -4.999 15.750 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.751 -5.096 16.472 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.142 -3.461 14.234 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.812 -4.980 14.876 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.510 -4.809 13.131 1.00 0.00 H new ATOM 68 N GLY A 5 4.282 -6.283 11.856 1.00 0.00 N ATOM 69 CA GLY A 5 4.876 -6.620 10.573 1.00 0.00 C ATOM 70 C GLY A 5 3.891 -6.370 9.430 1.00 0.00 C ATOM 71 O GLY A 5 4.252 -6.480 8.259 1.00 0.00 O ATOM 0 H GLY A 5 3.798 -5.386 11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.777 -6.026 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.181 -7.667 10.573 1.00 0.00 H new ATOM 75 N LEU A 6 2.665 -6.039 9.809 1.00 0.00 N ATOM 76 CA LEU A 6 1.625 -5.773 8.831 1.00 0.00 C ATOM 77 C LEU A 6 1.023 -4.392 9.095 1.00 0.00 C ATOM 78 O LEU A 6 -0.197 -4.240 9.135 1.00 0.00 O ATOM 79 CB LEU A 6 0.593 -6.903 8.825 1.00 0.00 C ATOM 80 CG LEU A 6 -0.199 -7.094 10.120 1.00 0.00 C ATOM 81 CD1 LEU A 6 -1.704 -7.125 9.843 1.00 0.00 C ATOM 82 CD2 LEU A 6 0.271 -8.342 10.871 1.00 0.00 C ATOM 0 H LEU A 6 2.369 -5.949 10.781 1.00 0.00 H new ATOM 0 HA LEU A 6 2.045 -5.751 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.112 -6.720 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.107 -7.837 8.595 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.008 -6.238 10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.244 -7.262 10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.009 -6.185 9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.933 -7.950 9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.308 -8.455 11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.129 -9.221 10.242 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.328 -8.241 11.119 1.00 0.00 H new ATOM 94 N SER A 7 1.906 -3.420 9.269 1.00 0.00 N ATOM 95 CA SER A 7 1.477 -2.056 9.529 1.00 0.00 C ATOM 96 C SER A 7 2.696 -1.149 9.709 1.00 0.00 C ATOM 97 O SER A 7 3.379 -1.218 10.730 1.00 0.00 O ATOM 98 CB SER A 7 0.577 -1.988 10.764 1.00 0.00 C ATOM 99 OG SER A 7 0.977 -2.916 11.768 1.00 0.00 O ATOM 0 H SER A 7 2.917 -3.550 9.235 1.00 0.00 H new ATOM 0 HA SER A 7 0.899 -1.710 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.600 -0.978 11.174 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.454 -2.191 10.473 1.00 0.00 H new ATOM 0 HG SER A 7 0.379 -2.840 12.540 1.00 0.00 H new ATOM 105 N ALA A 8 2.931 -0.320 8.703 1.00 0.00 N ATOM 106 CA ALA A 8 4.055 0.599 8.738 1.00 0.00 C ATOM 107 C ALA A 8 5.309 -0.116 8.231 1.00 0.00 C ATOM 108 O ALA A 8 6.042 0.420 7.401 1.00 0.00 O ATOM 109 CB ALA A 8 4.227 1.142 10.158 1.00 0.00 C ATOM 0 H ALA A 8 2.362 -0.266 7.858 1.00 0.00 H new ATOM 0 HA ALA A 8 3.874 1.451 8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.071 1.832 10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.320 1.666 10.459 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.413 0.315 10.844 1.00 0.00 H new ATOM 115 N ASN A 9 5.518 -1.316 8.753 1.00 0.00 N ATOM 116 CA ASN A 9 6.671 -2.110 8.364 1.00 0.00 C ATOM 117 C ASN A 9 6.511 -2.555 6.909 1.00 0.00 C ATOM 118 O ASN A 9 7.391 -2.316 6.083 1.00 0.00 O ATOM 119 CB ASN A 9 6.793 -3.365 9.231 1.00 0.00 C ATOM 120 CG ASN A 9 8.144 -4.050 9.017 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.889 -3.739 8.102 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.418 -4.998 9.909 1.00 0.00 N ATOM 0 H ASN A 9 4.909 -1.757 9.442 1.00 0.00 H new ATOM 0 HA ASN A 9 7.562 -1.495 8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.679 -3.098 10.282 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.987 -4.058 8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.296 -5.514 9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.750 -5.209 10.651 1.00 0.00 H new ATOM 129 N GLN A 10 5.382 -3.194 6.639 1.00 0.00 N ATOM 130 CA GLN A 10 5.096 -3.674 5.298 1.00 0.00 C ATOM 131 C GLN A 10 4.969 -2.496 4.329 1.00 0.00 C ATOM 132 O GLN A 10 5.206 -2.646 3.131 1.00 0.00 O ATOM 133 CB GLN A 10 3.832 -4.535 5.282 1.00 0.00 C ATOM 134 CG GLN A 10 2.702 -3.866 6.066 1.00 0.00 C ATOM 135 CD GLN A 10 1.349 -4.490 5.720 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.560 -4.843 6.581 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.125 -4.606 4.414 1.00 0.00 N ATOM 0 H GLN A 10 4.655 -3.390 7.326 1.00 0.00 H new ATOM 0 HA GLN A 10 5.927 -4.300 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.515 -4.703 4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.048 -5.513 5.712 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.889 -3.965 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.682 -2.799 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.828 -4.290 3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.250 -5.011 4.081 1.00 0.00 H new ATOM 146 N CYS A 11 4.596 -1.352 4.883 1.00 0.00 N ATOM 147 CA CYS A 11 4.435 -0.150 4.082 1.00 0.00 C ATOM 148 C CYS A 11 5.450 0.888 4.565 1.00 0.00 C ATOM 149 O CYS A 11 5.102 2.047 4.781 1.00 0.00 O ATOM 150 CB CYS A 11 3.002 0.382 4.143 1.00 0.00 C ATOM 151 SG CYS A 11 1.731 -0.877 4.530 1.00 0.00 S ATOM 0 H CYS A 11 4.401 -1.232 5.877 1.00 0.00 H new ATOM 0 HA CYS A 11 4.623 -0.380 3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.954 1.170 4.895 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.759 0.841 3.185 1.00 0.00 H new ATOM 156 N ALA A 12 6.685 0.433 4.719 1.00 0.00 N ATOM 157 CA ALA A 12 7.753 1.308 5.172 1.00 0.00 C ATOM 158 C ALA A 12 8.729 1.554 4.019 1.00 0.00 C ATOM 159 O ALA A 12 9.943 1.487 4.204 1.00 0.00 O ATOM 160 CB ALA A 12 8.438 0.689 6.393 1.00 0.00 C ATOM 0 H ALA A 12 6.970 -0.530 4.538 1.00 0.00 H new ATOM 0 HA ALA A 12 7.353 2.275 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.239 1.346 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.709 0.562 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.854 -0.282 6.124 1.00 0.00 H new ATOM 166 N VAL A 13 8.161 1.834 2.855 1.00 0.00 N ATOM 167 CA VAL A 13 8.965 2.091 1.673 1.00 0.00 C ATOM 168 C VAL A 13 9.354 3.570 1.637 1.00 0.00 C ATOM 169 O VAL A 13 8.590 4.428 2.076 1.00 0.00 O ATOM 170 CB VAL A 13 8.211 1.641 0.420 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.166 1.018 -0.601 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.083 0.671 0.777 1.00 0.00 C ATOM 0 H VAL A 13 7.153 1.888 2.706 1.00 0.00 H new ATOM 0 HA VAL A 13 9.888 1.513 1.706 1.00 0.00 H new ATOM 0 HB VAL A 13 7.762 2.524 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.604 0.707 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.918 1.752 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.657 0.151 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.563 0.367 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.501 -0.208 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.380 1.162 1.450 1.00 0.00 H new ATOM 182 N PRO A 14 10.575 3.830 1.096 1.00 0.00 N ATOM 183 CA PRO A 14 11.075 5.191 0.997 1.00 0.00 C ATOM 184 C PRO A 14 10.375 5.952 -0.130 1.00 0.00 C ATOM 185 O PRO A 14 10.661 7.125 -0.363 1.00 0.00 O ATOM 186 CB PRO A 14 12.572 5.044 0.775 1.00 0.00 C ATOM 187 CG PRO A 14 12.784 3.618 0.295 1.00 0.00 C ATOM 188 CD PRO A 14 11.507 2.839 0.566 1.00 0.00 C ATOM 0 HA PRO A 14 10.874 5.779 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.930 5.762 0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.124 5.232 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.020 3.605 -0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.627 3.162 0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.122 2.380 -0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.678 2.034 1.281 1.00 0.00 H new ATOM 196 N ALA A 15 9.470 5.253 -0.800 1.00 0.00 N ATOM 197 CA ALA A 15 8.727 5.848 -1.897 1.00 0.00 C ATOM 198 C ALA A 15 9.495 5.635 -3.203 1.00 0.00 C ATOM 199 O ALA A 15 8.938 5.796 -4.288 1.00 0.00 O ATOM 200 CB ALA A 15 8.479 7.329 -1.602 1.00 0.00 C ATOM 0 H ALA A 15 9.235 4.280 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 15 7.754 5.369 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.921 7.776 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.905 7.425 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.434 7.843 -1.490 1.00 0.00 H new ATOM 206 N LYS A 16 10.762 5.276 -3.055 1.00 0.00 N ATOM 207 CA LYS A 16 11.612 5.039 -4.210 1.00 0.00 C ATOM 208 C LYS A 16 11.646 3.540 -4.513 1.00 0.00 C ATOM 209 O LYS A 16 12.397 3.095 -5.380 1.00 0.00 O ATOM 210 CB LYS A 16 12.996 5.654 -3.991 1.00 0.00 C ATOM 211 CG LYS A 16 13.677 5.048 -2.763 1.00 0.00 C ATOM 212 CD LYS A 16 13.926 3.551 -2.957 1.00 0.00 C ATOM 213 CE LYS A 16 15.125 3.083 -2.128 1.00 0.00 C ATOM 214 NZ LYS A 16 14.841 1.773 -1.501 1.00 0.00 N ATOM 0 H LYS A 16 11.220 5.144 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 16 11.204 5.534 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.615 5.489 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.903 6.733 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.623 5.557 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.054 5.206 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.037 2.990 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.105 3.342 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.007 3.005 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.352 3.820 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.348 1.704 -0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.819 1.683 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.156 1.010 -2.133 1.00 0.00 H new ATOM 228 N ASP A 17 10.823 2.802 -3.783 1.00 0.00 N ATOM 229 CA ASP A 17 10.749 1.362 -3.963 1.00 0.00 C ATOM 230 C ASP A 17 9.282 0.937 -4.051 1.00 0.00 C ATOM 231 O ASP A 17 8.956 -0.229 -3.836 1.00 0.00 O ATOM 232 CB ASP A 17 11.385 0.626 -2.782 1.00 0.00 C ATOM 233 CG ASP A 17 10.994 -0.848 -2.652 1.00 0.00 C ATOM 234 OD1 ASP A 17 11.200 -1.579 -3.645 1.00 0.00 O ATOM 235 OD2 ASP A 17 10.498 -1.210 -1.564 1.00 0.00 O ATOM 0 H ASP A 17 10.201 3.174 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 17 11.286 1.109 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.469 0.692 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.111 1.142 -1.862 1.00 0.00 H new ATOM 240 N ARG A 18 8.436 1.907 -4.366 1.00 0.00 N ATOM 241 CA ARG A 18 7.012 1.649 -4.485 1.00 0.00 C ATOM 242 C ARG A 18 6.712 0.917 -5.795 1.00 0.00 C ATOM 243 O ARG A 18 7.004 1.428 -6.876 1.00 0.00 O ATOM 244 CB ARG A 18 6.210 2.951 -4.441 1.00 0.00 C ATOM 245 CG ARG A 18 6.685 3.849 -3.297 1.00 0.00 C ATOM 246 CD ARG A 18 6.400 3.205 -1.939 1.00 0.00 C ATOM 247 NE ARG A 18 6.428 4.233 -0.875 1.00 0.00 N ATOM 248 CZ ARG A 18 5.559 5.250 -0.791 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.590 5.381 -1.707 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.660 6.136 0.210 1.00 0.00 N ATOM 0 H ARG A 18 8.710 2.873 -4.542 1.00 0.00 H new ATOM 0 HA ARG A 18 6.717 1.026 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.314 3.478 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.151 2.726 -4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.754 4.037 -3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.185 4.816 -3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.427 2.715 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.141 2.434 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 18 7.153 4.163 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.513 4.707 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.929 6.155 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.398 6.036 0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.999 6.910 0.274 1.00 0.00 H new ATOM 264 N VAL A 19 6.133 -0.266 -5.656 1.00 0.00 N ATOM 265 CA VAL A 19 5.791 -1.073 -6.815 1.00 0.00 C ATOM 266 C VAL A 19 4.447 -0.607 -7.376 1.00 0.00 C ATOM 267 O VAL A 19 4.054 -1.008 -8.471 1.00 0.00 O ATOM 268 CB VAL A 19 5.801 -2.557 -6.442 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.372 -3.423 -7.627 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.175 -2.982 -5.920 1.00 0.00 C ATOM 0 H VAL A 19 5.892 -0.686 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 19 6.534 -0.945 -7.602 1.00 0.00 H new ATOM 0 HB VAL A 19 5.078 -2.706 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.388 -4.473 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.363 -3.147 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.059 -3.267 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.155 -4.041 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.926 -2.811 -6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.424 -2.398 -5.034 1.00 0.00 H new ATOM 280 N ASP A 20 3.777 0.234 -6.601 1.00 0.00 N ATOM 281 CA ASP A 20 2.485 0.760 -7.008 1.00 0.00 C ATOM 282 C ASP A 20 1.518 -0.403 -7.243 1.00 0.00 C ATOM 283 O ASP A 20 1.720 -1.209 -8.151 1.00 0.00 O ATOM 284 CB ASP A 20 2.598 1.553 -8.311 1.00 0.00 C ATOM 285 CG ASP A 20 1.270 1.814 -9.026 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.256 1.948 -8.308 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.300 1.873 -10.274 1.00 0.00 O ATOM 0 H ASP A 20 4.105 0.564 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 20 2.124 1.418 -6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.072 2.511 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.260 1.015 -8.990 1.00 0.00 H new ATOM 292 N CYS A 21 0.489 -0.452 -6.411 1.00 0.00 N ATOM 293 CA CYS A 21 -0.510 -1.503 -6.517 1.00 0.00 C ATOM 294 C CYS A 21 -1.483 -1.128 -7.637 1.00 0.00 C ATOM 295 O CYS A 21 -2.185 -1.988 -8.168 1.00 0.00 O ATOM 296 CB CYS A 21 -1.231 -1.735 -5.188 1.00 0.00 C ATOM 297 SG CYS A 21 -1.653 -3.480 -4.839 1.00 0.00 S ATOM 0 H CYS A 21 0.325 0.219 -5.660 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.024 -2.448 -6.760 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.604 -1.359 -4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.148 -1.146 -5.180 1.00 0.00 H new ATOM 302 N GLY A 22 -1.494 0.156 -7.963 1.00 0.00 N ATOM 303 CA GLY A 22 -2.370 0.654 -9.010 1.00 0.00 C ATOM 304 C GLY A 22 -3.839 0.544 -8.595 1.00 0.00 C ATOM 305 O GLY A 22 -4.481 -0.477 -8.837 1.00 0.00 O ATOM 0 H GLY A 22 -0.911 0.866 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.127 1.694 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.204 0.089 -9.927 1.00 0.00 H new ATOM 309 N TYR A 23 -4.328 1.609 -7.977 1.00 0.00 N ATOM 310 CA TYR A 23 -5.708 1.645 -7.527 1.00 0.00 C ATOM 311 C TYR A 23 -6.329 3.022 -7.770 1.00 0.00 C ATOM 312 O TYR A 23 -5.642 4.039 -7.693 1.00 0.00 O ATOM 313 CB TYR A 23 -5.668 1.376 -6.021 1.00 0.00 C ATOM 314 CG TYR A 23 -5.802 -0.102 -5.649 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.966 -0.784 -5.941 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.760 -0.754 -5.021 1.00 0.00 C ATOM 317 CE1 TYR A 23 -7.093 -2.175 -5.591 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.887 -2.145 -4.671 1.00 0.00 C ATOM 319 CZ TYR A 23 -6.047 -2.787 -4.973 1.00 0.00 C ATOM 320 OH TYR A 23 -6.167 -4.101 -4.643 1.00 0.00 O ATOM 0 H TYR A 23 -3.792 2.454 -7.777 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.306 0.912 -8.067 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.729 1.758 -5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.471 1.935 -5.541 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.782 -0.274 -6.432 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.849 -0.221 -4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.998 -2.720 -5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.079 -2.667 -4.180 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.343 -4.406 -4.209 1.00 0.00 H new ATOM 330 N PRO A 24 -7.657 3.009 -8.066 1.00 0.00 N ATOM 331 CA PRO A 24 -8.378 4.244 -8.321 1.00 0.00 C ATOM 332 C PRO A 24 -8.640 5.005 -7.020 1.00 0.00 C ATOM 333 O PRO A 24 -8.054 6.061 -6.785 1.00 0.00 O ATOM 334 CB PRO A 24 -9.655 3.816 -9.026 1.00 0.00 C ATOM 335 CG PRO A 24 -9.820 2.335 -8.726 1.00 0.00 C ATOM 336 CD PRO A 24 -8.503 1.824 -8.165 1.00 0.00 C ATOM 0 HA PRO A 24 -7.812 4.941 -8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.511 4.386 -8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.586 3.992 -10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.627 2.178 -8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.087 1.789 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.643 1.355 -7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.059 1.074 -8.819 1.00 0.00 H new ATOM 344 N HIS A 25 -9.521 4.439 -6.208 1.00 0.00 N ATOM 345 CA HIS A 25 -9.868 5.051 -4.936 1.00 0.00 C ATOM 346 C HIS A 25 -8.951 4.507 -3.838 1.00 0.00 C ATOM 347 O HIS A 25 -9.312 3.566 -3.133 1.00 0.00 O ATOM 348 CB HIS A 25 -11.352 4.850 -4.623 1.00 0.00 C ATOM 349 CG HIS A 25 -11.711 3.435 -4.234 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.883 3.115 -3.571 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.042 2.262 -4.422 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.907 1.805 -3.374 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.765 1.278 -3.901 1.00 0.00 N ATOM 0 H HIS A 25 -10.005 3.563 -6.406 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.711 6.128 -4.992 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.636 5.522 -3.813 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.939 5.136 -5.496 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.086 2.152 -4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.693 1.252 -2.882 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.509 0.291 -3.896 1.00 0.00 H new ATOM 362 N VAL A 26 -7.783 5.123 -3.728 1.00 0.00 N ATOM 363 CA VAL A 26 -6.812 4.713 -2.728 1.00 0.00 C ATOM 364 C VAL A 26 -6.933 5.621 -1.503 1.00 0.00 C ATOM 365 O VAL A 26 -6.998 6.842 -1.636 1.00 0.00 O ATOM 366 CB VAL A 26 -5.407 4.710 -3.334 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.281 3.641 -4.422 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.041 6.092 -3.878 1.00 0.00 C ATOM 0 H VAL A 26 -7.487 5.903 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.011 3.694 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.701 4.465 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.273 3.660 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.478 2.659 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.002 3.841 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.038 6.062 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.754 6.379 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.070 6.821 -3.068 1.00 0.00 H new ATOM 378 N THR A 27 -6.960 4.990 -0.339 1.00 0.00 N ATOM 379 CA THR A 27 -7.072 5.726 0.909 1.00 0.00 C ATOM 380 C THR A 27 -6.339 4.988 2.031 1.00 0.00 C ATOM 381 O THR A 27 -5.919 3.846 1.857 1.00 0.00 O ATOM 382 CB THR A 27 -8.558 5.947 1.196 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.971 4.741 1.834 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.400 6.000 -0.081 1.00 0.00 C ATOM 0 H THR A 27 -6.906 3.977 -0.233 1.00 0.00 H new ATOM 0 HA THR A 27 -6.592 6.702 0.837 1.00 0.00 H new ATOM 0 HB THR A 27 -8.686 6.875 1.754 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.294 4.943 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.446 6.159 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.055 6.820 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.299 5.059 -0.622 1.00 0.00 H new ATOM 392 N PRO A 28 -6.205 5.690 3.189 1.00 0.00 N ATOM 393 CA PRO A 28 -5.530 5.114 4.339 1.00 0.00 C ATOM 394 C PRO A 28 -6.416 4.076 5.031 1.00 0.00 C ATOM 395 O PRO A 28 -6.433 3.987 6.258 1.00 0.00 O ATOM 396 CB PRO A 28 -5.194 6.298 5.232 1.00 0.00 C ATOM 397 CG PRO A 28 -6.098 7.432 4.777 1.00 0.00 C ATOM 398 CD PRO A 28 -6.690 7.046 3.431 1.00 0.00 C ATOM 0 HA PRO A 28 -4.626 4.568 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.367 6.058 6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.144 6.573 5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.889 7.605 5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.533 8.360 4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.779 7.079 3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.366 7.729 2.645 1.00 0.00 H new ATOM 406 N LYS A 29 -7.131 3.316 4.214 1.00 0.00 N ATOM 407 CA LYS A 29 -8.017 2.288 4.732 1.00 0.00 C ATOM 408 C LYS A 29 -8.642 1.523 3.564 1.00 0.00 C ATOM 409 O LYS A 29 -8.815 0.307 3.634 1.00 0.00 O ATOM 410 CB LYS A 29 -9.044 2.897 5.688 1.00 0.00 C ATOM 411 CG LYS A 29 -9.537 1.859 6.698 1.00 0.00 C ATOM 412 CD LYS A 29 -10.721 1.068 6.139 1.00 0.00 C ATOM 413 CE LYS A 29 -11.320 0.150 7.205 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.320 0.881 8.016 1.00 0.00 N ATOM 0 H LYS A 29 -7.114 3.392 3.197 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.456 1.565 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.599 3.740 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.889 3.286 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.725 1.176 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.832 2.357 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.484 1.757 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.395 0.475 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.788 -0.712 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.529 -0.232 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.717 0.243 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.863 1.689 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.083 1.225 7.399 1.00 0.00 H new ATOM 428 N GLU A 30 -8.963 2.267 2.516 1.00 0.00 N ATOM 429 CA GLU A 30 -9.565 1.675 1.334 1.00 0.00 C ATOM 430 C GLU A 30 -8.490 1.029 0.457 1.00 0.00 C ATOM 431 O GLU A 30 -8.723 -0.015 -0.150 1.00 0.00 O ATOM 432 CB GLU A 30 -10.364 2.714 0.545 1.00 0.00 C ATOM 433 CG GLU A 30 -11.021 2.084 -0.685 1.00 0.00 C ATOM 434 CD GLU A 30 -12.523 2.373 -0.713 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.869 3.566 -0.853 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.292 1.394 -0.594 1.00 0.00 O ATOM 0 H GLU A 30 -8.817 3.275 2.461 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.259 0.899 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.129 3.152 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.705 3.525 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.555 2.474 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.854 1.007 -0.679 1.00 0.00 H new ATOM 443 N CYS A 31 -7.335 1.678 0.419 1.00 0.00 N ATOM 444 CA CYS A 31 -6.223 1.181 -0.374 1.00 0.00 C ATOM 445 C CYS A 31 -5.605 -0.011 0.361 1.00 0.00 C ATOM 446 O CYS A 31 -5.094 -0.935 -0.269 1.00 0.00 O ATOM 447 CB CYS A 31 -5.193 2.276 -0.652 1.00 0.00 C ATOM 448 SG CYS A 31 -3.498 1.670 -0.982 1.00 0.00 S ATOM 0 H CYS A 31 -7.145 2.543 0.924 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.584 0.858 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.528 2.861 -1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.162 2.952 0.203 1.00 0.00 H new ATOM 453 N ASN A 32 -5.673 0.050 1.683 1.00 0.00 N ATOM 454 CA ASN A 32 -5.126 -1.013 2.509 1.00 0.00 C ATOM 455 C ASN A 32 -6.192 -2.090 2.718 1.00 0.00 C ATOM 456 O ASN A 32 -5.929 -3.116 3.343 1.00 0.00 O ATOM 457 CB ASN A 32 -4.713 -0.484 3.884 1.00 0.00 C ATOM 458 CG ASN A 32 -5.924 -0.364 4.812 1.00 0.00 C ATOM 459 OD1 ASN A 32 -7.019 -0.806 4.506 1.00 0.00 O ATOM 460 ND2 ASN A 32 -5.666 0.255 5.960 1.00 0.00 N ATOM 0 H ASN A 32 -6.098 0.818 2.202 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.251 -1.419 2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.975 -1.152 4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.236 0.490 3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.408 0.384 6.648 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.726 0.601 6.153 1.00 0.00 H new ATOM 467 N ASN A 33 -7.374 -1.820 2.183 1.00 0.00 N ATOM 468 CA ASN A 33 -8.481 -2.754 2.303 1.00 0.00 C ATOM 469 C ASN A 33 -8.625 -3.538 0.997 1.00 0.00 C ATOM 470 O ASN A 33 -8.877 -4.742 1.016 1.00 0.00 O ATOM 471 CB ASN A 33 -9.797 -2.017 2.560 1.00 0.00 C ATOM 472 CG ASN A 33 -10.987 -2.975 2.471 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.841 -4.185 2.420 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.170 -2.367 2.455 1.00 0.00 N ATOM 0 H ASN A 33 -7.589 -0.968 1.665 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.271 -3.420 3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.772 -1.553 3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.917 -1.214 1.833 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.026 -2.918 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.221 -1.349 2.501 1.00 0.00 H new ATOM 481 N ARG A 34 -8.459 -2.823 -0.107 1.00 0.00 N ATOM 482 CA ARG A 34 -8.568 -3.437 -1.419 1.00 0.00 C ATOM 483 C ARG A 34 -7.602 -4.618 -1.534 1.00 0.00 C ATOM 484 O ARG A 34 -7.861 -5.566 -2.274 1.00 0.00 O ATOM 485 CB ARG A 34 -8.261 -2.427 -2.527 1.00 0.00 C ATOM 486 CG ARG A 34 -9.183 -2.635 -3.729 1.00 0.00 C ATOM 487 CD ARG A 34 -10.645 -2.733 -3.288 1.00 0.00 C ATOM 488 NE ARG A 34 -11.092 -4.143 -3.327 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.333 -4.546 -3.022 1.00 0.00 C ATOM 490 NH1 ARG A 34 -13.258 -3.649 -2.654 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.649 -5.847 -3.084 1.00 0.00 N ATOM 0 H ARG A 34 -8.250 -1.825 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.593 -3.788 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.380 -1.414 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.222 -2.529 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.065 -1.808 -4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.897 -3.544 -4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.757 -2.335 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.272 -2.126 -3.941 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.413 -4.852 -3.603 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.018 -2.659 -2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.203 -3.956 -2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.945 -6.530 -3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.594 -6.154 -2.852 1.00 0.00 H new ATOM 505 N GLY A 35 -6.509 -4.523 -0.791 1.00 0.00 N ATOM 506 CA GLY A 35 -5.504 -5.572 -0.800 1.00 0.00 C ATOM 507 C GLY A 35 -4.138 -5.018 -1.211 1.00 0.00 C ATOM 508 O GLY A 35 -3.674 -5.261 -2.324 1.00 0.00 O ATOM 0 H GLY A 35 -6.298 -3.735 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.435 -6.023 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.803 -6.361 -1.490 1.00 0.00 H new ATOM 512 N CYS A 36 -3.531 -4.284 -0.289 1.00 0.00 N ATOM 513 CA CYS A 36 -2.227 -3.694 -0.541 1.00 0.00 C ATOM 514 C CYS A 36 -1.920 -2.708 0.587 1.00 0.00 C ATOM 515 O CYS A 36 -2.490 -2.804 1.673 1.00 0.00 O ATOM 516 CB CYS A 36 -2.165 -3.026 -1.916 1.00 0.00 C ATOM 517 SG CYS A 36 -0.841 -3.650 -3.014 1.00 0.00 S ATOM 0 H CYS A 36 -3.918 -4.085 0.633 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.468 -4.476 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.125 -3.162 -2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.027 -1.954 -1.777 1.00 0.00 H new ATOM 522 N CYS A 37 -1.019 -1.782 0.292 1.00 0.00 N ATOM 523 CA CYS A 37 -0.629 -0.779 1.269 1.00 0.00 C ATOM 524 C CYS A 37 -0.961 0.601 0.698 1.00 0.00 C ATOM 525 O CYS A 37 -0.988 0.784 -0.518 1.00 0.00 O ATOM 526 CB CYS A 37 0.848 -0.901 1.645 1.00 0.00 C ATOM 527 SG CYS A 37 1.189 -1.996 3.072 1.00 0.00 S ATOM 0 H CYS A 37 -0.548 -1.705 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.185 -0.932 2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.399 -1.272 0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.235 0.093 1.867 1.00 0.00 H new ATOM 532 N PHE A 38 -1.205 1.537 1.603 1.00 0.00 N ATOM 533 CA PHE A 38 -1.533 2.896 1.205 1.00 0.00 C ATOM 534 C PHE A 38 -0.491 3.887 1.727 1.00 0.00 C ATOM 535 O PHE A 38 0.400 3.513 2.488 1.00 0.00 O ATOM 536 CB PHE A 38 -2.892 3.227 1.827 1.00 0.00 C ATOM 537 CG PHE A 38 -3.309 4.691 1.666 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.888 5.109 0.508 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.100 5.573 2.679 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.275 6.467 0.359 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.488 6.931 2.530 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.067 7.349 1.373 1.00 0.00 C ATOM 0 H PHE A 38 -1.182 1.382 2.611 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.553 2.971 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.652 2.591 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.864 2.982 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.053 4.408 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.639 5.241 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.735 6.800 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.323 7.631 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.362 8.382 1.259 1.00 0.00 H new ATOM 552 N ASP A 39 -0.639 5.132 1.298 1.00 0.00 N ATOM 553 CA ASP A 39 0.278 6.180 1.713 1.00 0.00 C ATOM 554 C ASP A 39 -0.166 7.511 1.102 1.00 0.00 C ATOM 555 O ASP A 39 -0.652 7.549 -0.027 1.00 0.00 O ATOM 556 CB ASP A 39 1.701 5.890 1.230 1.00 0.00 C ATOM 557 CG ASP A 39 2.677 7.061 1.355 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.218 7.232 2.469 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.862 7.757 0.334 1.00 0.00 O ATOM 0 H ASP A 39 -1.380 5.438 0.667 1.00 0.00 H new ATOM 0 HA ASP A 39 0.269 6.225 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.096 5.046 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.658 5.582 0.185 1.00 0.00 H new ATOM 564 N SER A 40 0.017 8.571 1.876 1.00 0.00 N ATOM 565 CA SER A 40 -0.358 9.900 1.426 1.00 0.00 C ATOM 566 C SER A 40 0.765 10.893 1.732 1.00 0.00 C ATOM 567 O SER A 40 0.556 12.104 1.692 1.00 0.00 O ATOM 568 CB SER A 40 -1.663 10.356 2.083 1.00 0.00 C ATOM 569 OG SER A 40 -1.534 10.479 3.497 1.00 0.00 O ATOM 0 H SER A 40 0.420 8.536 2.812 1.00 0.00 H new ATOM 0 HA SER A 40 -0.518 9.863 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.965 11.315 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.454 9.643 1.852 1.00 0.00 H new ATOM 0 HG SER A 40 -2.387 10.774 3.879 1.00 0.00 H new ATOM 575 N ARG A 41 1.933 10.343 2.031 1.00 0.00 N ATOM 576 CA ARG A 41 3.089 11.165 2.343 1.00 0.00 C ATOM 577 C ARG A 41 3.420 12.085 1.166 1.00 0.00 C ATOM 578 O ARG A 41 3.572 13.293 1.342 1.00 0.00 O ATOM 579 CB ARG A 41 4.310 10.300 2.663 1.00 0.00 C ATOM 580 CG ARG A 41 5.138 10.916 3.793 1.00 0.00 C ATOM 581 CD ARG A 41 6.584 11.145 3.350 1.00 0.00 C ATOM 582 NE ARG A 41 6.830 12.590 3.149 1.00 0.00 N ATOM 583 CZ ARG A 41 8.047 13.135 3.022 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.138 12.358 3.074 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.174 14.457 2.842 1.00 0.00 N ATOM 0 H ARG A 41 2.103 9.338 2.064 1.00 0.00 H new ATOM 0 HA ARG A 41 2.842 11.764 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.986 9.299 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.928 10.193 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.694 11.863 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.120 10.259 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.269 10.752 4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.780 10.602 2.425 1.00 0.00 H new ATOM 0 HE ARG A 41 6.022 13.211 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.041 11.352 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.065 12.773 2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.344 15.048 2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.101 14.872 2.745 1.00 0.00 H new ATOM 599 N ILE A 42 3.520 11.479 -0.008 1.00 0.00 N ATOM 600 CA ILE A 42 3.830 12.229 -1.213 1.00 0.00 C ATOM 601 C ILE A 42 3.058 11.633 -2.392 1.00 0.00 C ATOM 602 O ILE A 42 2.984 10.414 -2.537 1.00 0.00 O ATOM 603 CB ILE A 42 5.343 12.287 -1.434 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.047 11.137 -0.712 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.905 13.650 -1.026 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.564 9.783 -1.236 1.00 0.00 C ATOM 0 H ILE A 42 3.392 10.477 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 42 3.507 13.265 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 42 5.537 12.165 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.125 11.221 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.857 11.205 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.982 13.664 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.435 14.431 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.699 13.827 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.080 8.983 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.490 9.692 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.777 9.708 -2.302 1.00 0.00 H new ATOM 618 N PRO A 43 2.489 12.544 -3.226 1.00 0.00 N ATOM 619 CA PRO A 43 1.725 12.120 -4.387 1.00 0.00 C ATOM 620 C PRO A 43 2.651 11.627 -5.502 1.00 0.00 C ATOM 621 O PRO A 43 2.325 10.674 -6.207 1.00 0.00 O ATOM 622 CB PRO A 43 0.910 13.339 -4.788 1.00 0.00 C ATOM 623 CG PRO A 43 1.588 14.529 -4.129 1.00 0.00 C ATOM 624 CD PRO A 43 2.556 13.995 -3.086 1.00 0.00 C ATOM 0 HA PRO A 43 1.072 11.273 -4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.886 13.454 -5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.124 13.245 -4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.118 15.126 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.848 15.181 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.567 14.363 -3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.270 14.310 -2.082 1.00 0.00 H new ATOM 632 N GLY A 44 3.786 12.299 -5.625 1.00 0.00 N ATOM 633 CA GLY A 44 4.761 11.942 -6.641 1.00 0.00 C ATOM 634 C GLY A 44 4.844 10.423 -6.811 1.00 0.00 C ATOM 635 O GLY A 44 4.897 9.922 -7.933 1.00 0.00 O ATOM 0 H GLY A 44 4.052 13.089 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.488 12.403 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.740 12.335 -6.365 1.00 0.00 H new ATOM 639 N VAL A 45 4.854 9.734 -5.679 1.00 0.00 N ATOM 640 CA VAL A 45 4.930 8.283 -5.688 1.00 0.00 C ATOM 641 C VAL A 45 3.515 7.702 -5.675 1.00 0.00 C ATOM 642 O VAL A 45 2.545 8.427 -5.462 1.00 0.00 O ATOM 643 CB VAL A 45 5.787 7.797 -4.517 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.881 8.812 -4.179 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.922 7.495 -3.293 1.00 0.00 C ATOM 0 H VAL A 45 4.811 10.153 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 45 5.417 7.932 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 45 6.273 6.870 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.475 8.442 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.525 8.956 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.423 9.763 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.556 7.152 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.395 8.399 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.198 6.719 -3.542 1.00 0.00 H new ATOM 655 N PRO A 46 3.441 6.364 -5.911 1.00 0.00 N ATOM 656 CA PRO A 46 2.160 5.678 -5.928 1.00 0.00 C ATOM 657 C PRO A 46 1.618 5.493 -4.509 1.00 0.00 C ATOM 658 O PRO A 46 1.908 4.492 -3.855 1.00 0.00 O ATOM 659 CB PRO A 46 2.430 4.361 -6.637 1.00 0.00 C ATOM 660 CG PRO A 46 3.935 4.155 -6.578 1.00 0.00 C ATOM 661 CD PRO A 46 4.569 5.474 -6.166 1.00 0.00 C ATOM 0 HA PRO A 46 1.386 6.244 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.904 3.540 -6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.081 4.395 -7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.185 3.371 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.315 3.835 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.188 5.355 -5.277 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.213 5.867 -6.953 1.00 0.00 H new ATOM 669 N TRP A 47 0.841 6.473 -4.074 1.00 0.00 N ATOM 670 CA TRP A 47 0.256 6.431 -2.745 1.00 0.00 C ATOM 671 C TRP A 47 0.052 4.963 -2.364 1.00 0.00 C ATOM 672 O TRP A 47 0.539 4.513 -1.329 1.00 0.00 O ATOM 673 CB TRP A 47 -1.037 7.248 -2.688 1.00 0.00 C ATOM 674 CG TRP A 47 -0.825 8.725 -2.347 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.270 9.470 -2.552 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.782 9.611 -1.730 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.089 10.766 -2.113 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.198 10.854 -1.597 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.098 9.369 -1.297 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.856 11.953 -1.033 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.742 10.478 -0.736 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.168 11.736 -0.595 1.00 0.00 C ATOM 0 H TRP A 47 0.603 7.302 -4.619 1.00 0.00 H new ATOM 0 HA TRP A 47 0.923 6.891 -2.016 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.542 7.177 -3.651 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.702 6.806 -1.946 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.180 9.103 -3.004 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.774 11.520 -2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.574 8.404 -1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.377 12.917 -0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.756 10.347 -0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.732 12.542 -0.150 1.00 0.00 H new ATOM 693 N CYS A 48 -0.670 4.257 -3.223 1.00 0.00 N ATOM 694 CA CYS A 48 -0.944 2.850 -2.989 1.00 0.00 C ATOM 695 C CYS A 48 0.158 2.028 -3.661 1.00 0.00 C ATOM 696 O CYS A 48 0.331 2.090 -4.877 1.00 0.00 O ATOM 697 CB CYS A 48 -2.335 2.454 -3.489 1.00 0.00 C ATOM 698 SG CYS A 48 -3.064 0.996 -2.656 1.00 0.00 S ATOM 0 H CYS A 48 -1.073 4.633 -4.081 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.944 2.650 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.007 3.302 -3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.277 2.253 -4.559 1.00 0.00 H new ATOM 703 N PHE A 49 0.876 1.276 -2.838 1.00 0.00 N ATOM 704 CA PHE A 49 1.956 0.443 -3.337 1.00 0.00 C ATOM 705 C PHE A 49 1.991 -0.903 -2.611 1.00 0.00 C ATOM 706 O PHE A 49 1.321 -1.082 -1.595 1.00 0.00 O ATOM 707 CB PHE A 49 3.262 1.191 -3.061 1.00 0.00 C ATOM 708 CG PHE A 49 3.371 1.750 -1.641 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.590 0.910 -0.594 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.248 3.088 -1.426 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.691 1.429 0.724 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.349 3.606 -0.108 1.00 0.00 C ATOM 713 CZ PHE A 49 3.568 2.766 0.939 1.00 0.00 C ATOM 0 H PHE A 49 0.730 1.227 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 49 1.815 0.249 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.100 0.517 -3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.356 2.012 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.687 -0.152 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.074 3.755 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.865 0.762 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.252 4.668 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.644 3.161 1.941 1.00 0.00 H new ATOM 723 N LYS A 50 2.778 -1.816 -3.161 1.00 0.00 N ATOM 724 CA LYS A 50 2.908 -3.141 -2.579 1.00 0.00 C ATOM 725 C LYS A 50 3.705 -3.045 -1.276 1.00 0.00 C ATOM 726 O LYS A 50 4.366 -2.039 -1.022 1.00 0.00 O ATOM 727 CB LYS A 50 3.506 -4.117 -3.594 1.00 0.00 C ATOM 728 CG LYS A 50 2.538 -4.363 -4.754 1.00 0.00 C ATOM 729 CD LYS A 50 2.619 -5.812 -5.237 1.00 0.00 C ATOM 730 CE LYS A 50 2.808 -5.874 -6.754 1.00 0.00 C ATOM 731 NZ LYS A 50 1.957 -6.935 -7.339 1.00 0.00 N ATOM 0 H LYS A 50 3.332 -1.664 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 50 1.927 -3.543 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.445 -3.718 -3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.738 -5.062 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.520 -4.138 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.772 -3.688 -5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.448 -6.318 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.709 -6.344 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.555 -4.911 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.855 -6.068 -6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.097 -6.964 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.217 -7.854 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.958 -6.733 -7.131 1.00 0.00 H new ATOM 745 N PRO A 51 3.614 -4.132 -0.464 1.00 0.00 N ATOM 746 CA PRO A 51 4.318 -4.179 0.805 1.00 0.00 C ATOM 747 C PRO A 51 5.814 -4.420 0.594 1.00 0.00 C ATOM 748 O PRO A 51 6.205 -5.383 -0.064 1.00 0.00 O ATOM 749 CB PRO A 51 3.642 -5.293 1.589 1.00 0.00 C ATOM 750 CG PRO A 51 2.899 -6.133 0.563 1.00 0.00 C ATOM 751 CD PRO A 51 2.840 -5.341 -0.733 1.00 0.00 C ATOM 0 HA PRO A 51 4.265 -3.237 1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.376 -5.893 2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.956 -4.887 2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.409 -7.084 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.894 -6.365 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.264 -5.907 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.812 -5.101 -1.004 1.00 0.00 H new ATOM 759 N LEU A 52 6.611 -3.527 1.164 1.00 0.00 N ATOM 760 CA LEU A 52 8.055 -3.631 1.046 1.00 0.00 C ATOM 761 C LEU A 52 8.456 -5.107 1.011 1.00 0.00 C ATOM 762 O LEU A 52 7.869 -5.929 1.713 1.00 0.00 O ATOM 763 CB LEU A 52 8.742 -2.833 2.156 1.00 0.00 C ATOM 764 CG LEU A 52 10.242 -3.077 2.328 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.886 -1.969 3.164 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.508 -4.465 2.915 1.00 0.00 C ATOM 0 H LEU A 52 6.284 -2.729 1.708 1.00 0.00 H new ATOM 0 HA LEU A 52 8.393 -3.187 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.587 -1.772 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.247 -3.061 3.100 1.00 0.00 H new ATOM 0 HG LEU A 52 10.707 -3.049 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.953 -2.167 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.743 -1.009 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.422 -1.940 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.582 -4.613 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.027 -4.546 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.105 -5.226 2.247 1.00 0.00 H new ATOM 778 N GLN A 53 9.452 -5.397 0.188 1.00 0.00 N ATOM 779 CA GLN A 53 9.938 -6.760 0.053 1.00 0.00 C ATOM 780 C GLN A 53 10.569 -7.231 1.365 1.00 0.00 C ATOM 781 O GLN A 53 11.787 -7.384 1.453 1.00 0.00 O ATOM 782 CB GLN A 53 10.931 -6.876 -1.105 1.00 0.00 C ATOM 783 CG GLN A 53 10.269 -7.504 -2.333 1.00 0.00 C ATOM 784 CD GLN A 53 9.945 -6.441 -3.385 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.273 -6.567 -4.554 1.00 0.00 O ATOM 786 NE2 GLN A 53 9.285 -5.390 -2.907 1.00 0.00 N ATOM 0 H GLN A 53 9.936 -4.712 -0.392 1.00 0.00 H new ATOM 0 HA GLN A 53 9.090 -7.406 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.315 -5.888 -1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.784 -7.481 -0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.931 -8.256 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.354 -8.017 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.041 -5.348 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.023 -4.626 -3.530 1.00 0.00 H new ATOM 795 N GLU A 54 9.713 -7.448 2.353 1.00 0.00 N ATOM 796 CA GLU A 54 10.171 -7.898 3.656 1.00 0.00 C ATOM 797 C GLU A 54 11.248 -8.974 3.497 1.00 0.00 C ATOM 798 O GLU A 54 11.004 -10.015 2.890 1.00 0.00 O ATOM 799 CB GLU A 54 9.003 -8.411 4.500 1.00 0.00 C ATOM 800 CG GLU A 54 8.683 -9.869 4.165 1.00 0.00 C ATOM 801 CD GLU A 54 9.571 -10.824 4.965 1.00 0.00 C ATOM 802 OE1 GLU A 54 9.757 -10.550 6.170 1.00 0.00 O ATOM 803 OE2 GLU A 54 10.043 -11.806 4.353 1.00 0.00 O ATOM 0 H GLU A 54 8.704 -7.320 2.277 1.00 0.00 H new ATOM 0 HA GLU A 54 10.609 -7.048 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.248 -8.323 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.123 -7.792 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.635 -10.074 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.827 -10.041 3.098 1.00 0.00 H new ATOM 810 N ALA A 55 12.414 -8.684 4.054 1.00 0.00 N ATOM 811 CA ALA A 55 13.529 -9.614 3.982 1.00 0.00 C ATOM 812 C ALA A 55 14.681 -9.089 4.841 1.00 0.00 C ATOM 813 O ALA A 55 15.161 -9.786 5.734 1.00 0.00 O ATOM 814 CB ALA A 55 13.935 -9.812 2.520 1.00 0.00 C ATOM 0 H ALA A 55 12.612 -7.819 4.557 1.00 0.00 H new ATOM 0 HA ALA A 55 13.242 -10.589 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.771 -10.509 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.091 -10.213 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.233 -8.855 2.092 1.00 0.00 H new ATOM 820 N GLU A 56 15.092 -7.866 4.541 1.00 0.00 N ATOM 821 CA GLU A 56 16.178 -7.240 5.275 1.00 0.00 C ATOM 822 C GLU A 56 16.026 -7.502 6.775 1.00 0.00 C ATOM 823 O GLU A 56 15.061 -7.055 7.392 1.00 0.00 O ATOM 824 CB GLU A 56 16.244 -5.739 4.985 1.00 0.00 C ATOM 825 CG GLU A 56 17.540 -5.378 4.257 1.00 0.00 C ATOM 826 CD GLU A 56 17.280 -5.115 2.772 1.00 0.00 C ATOM 827 OE1 GLU A 56 16.711 -4.042 2.476 1.00 0.00 O ATOM 828 OE2 GLU A 56 17.656 -5.994 1.966 1.00 0.00 O ATOM 0 H GLU A 56 14.692 -7.292 3.799 1.00 0.00 H new ATOM 0 HA GLU A 56 17.117 -7.682 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.388 -5.444 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.180 -5.181 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.984 -4.494 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.260 -6.189 4.366 1.00 0.00 H new ATOM 835 N CYS A 57 16.994 -8.226 7.318 1.00 0.00 N ATOM 836 CA CYS A 57 16.980 -8.553 8.733 1.00 0.00 C ATOM 837 C CYS A 57 18.406 -8.906 9.159 1.00 0.00 C ATOM 838 O CYS A 57 18.795 -10.073 9.134 1.00 0.00 O ATOM 839 CB CYS A 57 15.996 -9.683 9.043 1.00 0.00 C ATOM 840 SG CYS A 57 15.079 -9.492 10.616 1.00 0.00 S ATOM 0 H CYS A 57 17.793 -8.595 6.803 1.00 0.00 H new ATOM 0 HA CYS A 57 16.634 -7.691 9.304 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.278 -9.755 8.226 1.00 0.00 H new ATOM 0 HB3 CYS A 57 16.543 -10.625 9.070 1.00 0.00 H new ATOM 0 HG CYS A 57 14.275 -10.501 10.775 1.00 0.00 H new ATOM 845 N THR A 58 19.148 -7.877 9.540 1.00 0.00 N ATOM 846 CA THR A 58 20.523 -8.064 9.971 1.00 0.00 C ATOM 847 C THR A 58 21.354 -8.686 8.847 1.00 0.00 C ATOM 848 O THR A 58 21.621 -9.887 8.860 1.00 0.00 O ATOM 849 CB THR A 58 20.508 -8.901 11.251 1.00 0.00 C ATOM 850 OG1 THR A 58 19.754 -8.116 12.171 1.00 0.00 O ATOM 851 CG2 THR A 58 21.891 -9.008 11.898 1.00 0.00 C ATOM 0 H THR A 58 18.823 -6.910 9.559 1.00 0.00 H new ATOM 0 HA THR A 58 21.000 -7.110 10.196 1.00 0.00 H new ATOM 0 HB THR A 58 20.135 -9.900 11.026 1.00 0.00 H new ATOM 0 HG1 THR A 58 19.693 -8.586 13.029 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.824 -9.612 12.803 1.00 0.00 H new ATOM 0 HG22 THR A 58 22.584 -9.476 11.199 1.00 0.00 H new ATOM 0 HG23 THR A 58 22.251 -8.011 12.153 1.00 0.00 H new ATOM 859 N PHE A 59 21.739 -7.841 7.902 1.00 0.00 N ATOM 860 CA PHE A 59 22.534 -8.294 6.773 1.00 0.00 C ATOM 861 C PHE A 59 21.966 -9.587 6.185 1.00 0.00 C ATOM 862 O PHE A 59 20.792 -9.898 6.380 1.00 0.00 O ATOM 863 CB PHE A 59 23.946 -8.564 7.299 1.00 0.00 C ATOM 864 CG PHE A 59 25.014 -7.632 6.722 1.00 0.00 C ATOM 865 CD1 PHE A 59 25.257 -7.624 5.384 1.00 0.00 C ATOM 866 CD2 PHE A 59 25.719 -6.813 7.546 1.00 0.00 C ATOM 867 CE1 PHE A 59 26.248 -6.759 4.848 1.00 0.00 C ATOM 868 CE2 PHE A 59 26.710 -5.949 7.011 1.00 0.00 C ATOM 869 CZ PHE A 59 26.954 -5.940 5.673 1.00 0.00 C ATOM 0 H PHE A 59 21.515 -6.846 7.895 1.00 0.00 H new ATOM 0 HA PHE A 59 22.530 -7.537 5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 59 23.943 -8.468 8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 59 24.217 -9.595 7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 59 24.697 -8.275 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 59 25.525 -6.820 8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 59 26.441 -6.752 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 59 27.270 -5.299 7.666 1.00 0.00 H new ATOM 0 HZ PHE A 59 27.708 -5.283 5.266 1.00 0.00 H new TER 879 PHE A 59