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+ 165:sc= -0.0286 (180deg=-0.281) 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 K(o=0,f=-1.2) USER MOD Single : A 10 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.018) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -160:sc= 0.00944 USER MOD Single : A 25 HIS : no HE2:sc= -11! C(o=-11!,f=-9.3!) USER MOD Single : A 27 THR OG1 : rot 108:sc= -0.42 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.36! C(o=-3.4!,f=-6.1!) USER MOD Single : A 33 ASN : amide:sc=-0.00153 X(o=-0.0015,f=0) 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= -2.36 K(o=-2.4,f=-0.1) USER MOD Single : A 57 CYS SG : rot 150:sc= -0.354 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.159 -10.373 15.876 1.00 0.00 N ATOM 2 CA GLU A 1 12.005 -11.554 16.708 1.00 0.00 C ATOM 3 C GLU A 1 10.528 -11.782 17.036 1.00 0.00 C ATOM 4 O GLU A 1 10.190 -12.183 18.149 1.00 0.00 O ATOM 5 CB GLU A 1 12.838 -11.438 17.986 1.00 0.00 C ATOM 6 CG GLU A 1 13.972 -12.466 17.996 1.00 0.00 C ATOM 7 CD GLU A 1 15.189 -11.932 18.753 1.00 0.00 C ATOM 8 OE1 GLU A 1 14.973 -11.359 19.843 1.00 0.00 O ATOM 9 OE2 GLU A 1 16.308 -12.108 18.225 1.00 0.00 O ATOM 0 H1 GLU A 1 13.157 -10.081 15.869 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.855 -10.590 14.905 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.575 -9.601 16.257 1.00 0.00 H new ATOM 0 HA GLU A 1 12.372 -12.417 16.152 1.00 0.00 H new ATOM 0 HB2 GLU A 1 13.253 -10.433 18.064 1.00 0.00 H new ATOM 0 HB3 GLU A 1 12.199 -11.588 18.856 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.627 -13.389 18.461 1.00 0.00 H new ATOM 0 HG3 GLU A 1 14.255 -12.711 16.972 1.00 0.00 H new ATOM 16 N GLU A 2 9.687 -11.516 16.047 1.00 0.00 N ATOM 17 CA GLU A 2 8.254 -11.687 16.217 1.00 0.00 C ATOM 18 C GLU A 2 7.524 -11.375 14.909 1.00 0.00 C ATOM 19 O GLU A 2 7.615 -10.262 14.393 1.00 0.00 O ATOM 20 CB GLU A 2 7.729 -10.816 17.360 1.00 0.00 C ATOM 21 CG GLU A 2 8.485 -9.488 17.429 1.00 0.00 C ATOM 22 CD GLU A 2 7.638 -8.409 18.106 1.00 0.00 C ATOM 23 OE1 GLU A 2 7.188 -8.671 19.242 1.00 0.00 O ATOM 24 OE2 GLU A 2 7.460 -7.346 17.472 1.00 0.00 O ATOM 0 H GLU A 2 9.971 -11.183 15.125 1.00 0.00 H new ATOM 0 HA GLU A 2 8.060 -12.727 16.479 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.665 -10.626 17.218 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.834 -11.348 18.305 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.416 -9.624 17.980 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.754 -9.166 16.423 1.00 0.00 H new ATOM 31 N TYR A 3 6.814 -12.377 14.411 1.00 0.00 N ATOM 32 CA TYR A 3 6.069 -12.223 13.173 1.00 0.00 C ATOM 33 C TYR A 3 4.769 -11.452 13.409 1.00 0.00 C ATOM 34 O TYR A 3 3.872 -11.935 14.099 1.00 0.00 O ATOM 35 CB TYR A 3 5.730 -13.640 12.706 1.00 0.00 C ATOM 36 CG TYR A 3 4.543 -13.710 11.743 1.00 0.00 C ATOM 37 CD1 TYR A 3 4.738 -13.509 10.392 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.277 -13.975 12.225 1.00 0.00 C ATOM 39 CE1 TYR A 3 3.621 -13.576 9.485 1.00 0.00 C ATOM 40 CE2 TYR A 3 2.160 -14.041 11.319 1.00 0.00 C ATOM 41 CZ TYR A 3 2.388 -13.838 9.993 1.00 0.00 C ATOM 42 OH TYR A 3 1.333 -13.901 9.137 1.00 0.00 O ATOM 0 H TYR A 3 6.739 -13.298 14.842 1.00 0.00 H new ATOM 0 HA TYR A 3 6.654 -11.670 12.439 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.605 -14.070 12.220 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.514 -14.257 13.578 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.728 -13.301 10.014 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.124 -14.133 13.282 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.760 -13.422 8.425 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.164 -14.247 11.683 1.00 0.00 H new ATOM 0 HH TYR A 3 0.515 -14.097 9.640 1.00 0.00 H new ATOM 52 N VAL A 4 4.707 -10.265 12.822 1.00 0.00 N ATOM 53 CA VAL A 4 3.532 -9.422 12.960 1.00 0.00 C ATOM 54 C VAL A 4 3.739 -8.133 12.163 1.00 0.00 C ATOM 55 O VAL A 4 4.389 -7.203 12.638 1.00 0.00 O ATOM 56 CB VAL A 4 3.239 -9.170 14.440 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.512 -8.773 15.191 1.00 0.00 C ATOM 58 CG2 VAL A 4 2.149 -8.110 14.610 1.00 0.00 C ATOM 0 H VAL A 4 5.452 -9.868 12.250 1.00 0.00 H new ATOM 0 HA VAL A 4 2.654 -9.920 12.550 1.00 0.00 H new ATOM 0 HB VAL A 4 2.872 -10.101 14.872 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.276 -8.600 16.241 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.246 -9.575 15.112 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.922 -7.861 14.756 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.960 -7.950 15.671 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.476 -7.175 14.155 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.233 -8.449 14.125 1.00 0.00 H new ATOM 68 N GLY A 5 3.173 -8.118 10.965 1.00 0.00 N ATOM 69 CA GLY A 5 3.287 -6.958 10.097 1.00 0.00 C ATOM 70 C GLY A 5 2.043 -6.805 9.220 1.00 0.00 C ATOM 71 O GLY A 5 1.837 -7.581 8.288 1.00 0.00 O ATOM 0 H GLY A 5 2.634 -8.891 10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.424 -6.060 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.171 -7.056 9.467 1.00 0.00 H new ATOM 75 N LEU A 6 1.246 -5.799 9.549 1.00 0.00 N ATOM 76 CA LEU A 6 0.028 -5.534 8.803 1.00 0.00 C ATOM 77 C LEU A 6 0.112 -4.142 8.175 1.00 0.00 C ATOM 78 O LEU A 6 0.060 -4.004 6.954 1.00 0.00 O ATOM 79 CB LEU A 6 -1.200 -5.734 9.694 1.00 0.00 C ATOM 80 CG LEU A 6 -0.951 -6.430 11.033 1.00 0.00 C ATOM 81 CD1 LEU A 6 -2.142 -6.245 11.977 1.00 0.00 C ATOM 82 CD2 LEU A 6 -0.606 -7.906 10.828 1.00 0.00 C ATOM 0 H LEU A 6 1.420 -5.157 10.323 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.081 -6.247 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.644 -4.758 9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.937 -6.313 9.138 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.089 -5.961 11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.939 -6.749 12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.300 -5.182 12.160 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.036 -6.672 11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.434 -8.377 11.796 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.432 -8.406 10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.294 -7.988 10.219 1.00 0.00 H new ATOM 94 N SER A 7 0.240 -3.145 9.038 1.00 0.00 N ATOM 95 CA SER A 7 0.332 -1.768 8.583 1.00 0.00 C ATOM 96 C SER A 7 1.682 -1.172 8.988 1.00 0.00 C ATOM 97 O SER A 7 2.282 -1.599 9.973 1.00 0.00 O ATOM 98 CB SER A 7 -0.812 -0.924 9.148 1.00 0.00 C ATOM 99 OG SER A 7 -0.916 -1.045 10.564 1.00 0.00 O ATOM 0 H SER A 7 0.282 -3.263 10.050 1.00 0.00 H new ATOM 0 HA SER A 7 0.250 -1.761 7.496 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.655 0.122 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.751 -1.232 8.688 1.00 0.00 H new ATOM 0 HG SER A 7 -1.657 -0.490 10.886 1.00 0.00 H new ATOM 105 N ALA A 8 2.119 -0.194 8.208 1.00 0.00 N ATOM 106 CA ALA A 8 3.387 0.465 8.473 1.00 0.00 C ATOM 107 C ALA A 8 4.533 -0.452 8.041 1.00 0.00 C ATOM 108 O ALA A 8 5.164 -0.219 7.011 1.00 0.00 O ATOM 109 CB ALA A 8 3.467 0.840 9.954 1.00 0.00 C ATOM 0 H ALA A 8 1.618 0.158 7.392 1.00 0.00 H new ATOM 0 HA ALA A 8 3.468 1.387 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.418 1.334 10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.648 1.515 10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.392 -0.061 10.562 1.00 0.00 H new ATOM 115 N ASN A 9 4.768 -1.474 8.850 1.00 0.00 N ATOM 116 CA ASN A 9 5.827 -2.427 8.565 1.00 0.00 C ATOM 117 C ASN A 9 5.685 -2.925 7.125 1.00 0.00 C ATOM 118 O ASN A 9 6.678 -3.070 6.414 1.00 0.00 O ATOM 119 CB ASN A 9 5.744 -3.639 9.495 1.00 0.00 C ATOM 120 CG ASN A 9 6.246 -3.290 10.897 1.00 0.00 C ATOM 121 OD1 ASN A 9 6.373 -2.135 11.269 1.00 0.00 O ATOM 122 ND2 ASN A 9 6.522 -4.349 11.652 1.00 0.00 N ATOM 0 H ASN A 9 4.243 -1.663 9.704 1.00 0.00 H new ATOM 0 HA ASN A 9 6.782 -1.924 8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.713 -3.989 9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.337 -4.457 9.086 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.862 -4.221 12.605 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.393 -5.289 11.278 1.00 0.00 H new ATOM 129 N GLN A 10 4.442 -3.173 6.739 1.00 0.00 N ATOM 130 CA GLN A 10 4.157 -3.652 5.397 1.00 0.00 C ATOM 131 C GLN A 10 4.293 -2.511 4.386 1.00 0.00 C ATOM 132 O GLN A 10 4.656 -2.739 3.233 1.00 0.00 O ATOM 133 CB GLN A 10 2.766 -4.285 5.324 1.00 0.00 C ATOM 134 CG GLN A 10 2.756 -5.476 4.364 1.00 0.00 C ATOM 135 CD GLN A 10 2.869 -6.797 5.128 1.00 0.00 C ATOM 136 OE1 GLN A 10 3.944 -7.340 5.324 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.703 -7.282 5.546 1.00 0.00 N ATOM 0 H GLN A 10 3.621 -3.051 7.332 1.00 0.00 H new ATOM 0 HA GLN A 10 4.885 -4.423 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.458 -4.611 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.041 -3.541 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.837 -5.468 3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.583 -5.387 3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.840 -6.776 5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.672 -8.160 6.065 1.00 0.00 H new ATOM 146 N CYS A 11 3.996 -1.308 4.856 1.00 0.00 N ATOM 147 CA CYS A 11 4.080 -0.132 4.008 1.00 0.00 C ATOM 148 C CYS A 11 5.197 0.767 4.543 1.00 0.00 C ATOM 149 O CYS A 11 5.021 1.979 4.658 1.00 0.00 O ATOM 150 CB CYS A 11 2.742 0.606 3.928 1.00 0.00 C ATOM 151 SG CYS A 11 1.285 -0.393 4.405 1.00 0.00 S ATOM 0 H CYS A 11 3.697 -1.123 5.813 1.00 0.00 H new ATOM 0 HA CYS A 11 4.315 -0.433 2.987 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.789 1.485 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.601 0.964 2.908 1.00 0.00 H new ATOM 156 N ALA A 12 6.320 0.138 4.855 1.00 0.00 N ATOM 157 CA ALA A 12 7.465 0.866 5.376 1.00 0.00 C ATOM 158 C ALA A 12 8.431 1.176 4.230 1.00 0.00 C ATOM 159 O ALA A 12 9.639 0.984 4.362 1.00 0.00 O ATOM 160 CB ALA A 12 8.125 0.051 6.490 1.00 0.00 C ATOM 0 H ALA A 12 6.462 -0.867 4.757 1.00 0.00 H new ATOM 0 HA ALA A 12 7.151 1.816 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.984 0.597 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.407 -0.117 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.456 -0.908 6.092 1.00 0.00 H new ATOM 166 N VAL A 13 7.862 1.650 3.131 1.00 0.00 N ATOM 167 CA VAL A 13 8.658 1.988 1.963 1.00 0.00 C ATOM 168 C VAL A 13 8.883 3.501 1.925 1.00 0.00 C ATOM 169 O VAL A 13 8.046 4.269 2.397 1.00 0.00 O ATOM 170 CB VAL A 13 7.984 1.452 0.698 1.00 0.00 C ATOM 171 CG1 VAL A 13 8.946 0.574 -0.105 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.703 0.689 1.041 1.00 0.00 C ATOM 0 H VAL A 13 6.860 1.808 3.025 1.00 0.00 H new ATOM 0 HA VAL A 13 9.638 1.515 2.019 1.00 0.00 H new ATOM 0 HB VAL A 13 7.710 2.305 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.442 0.206 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.818 1.160 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.264 -0.271 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.244 0.319 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.943 -0.152 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.008 1.356 1.551 1.00 0.00 H new ATOM 182 N PRO A 14 10.048 3.894 1.345 1.00 0.00 N ATOM 183 CA PRO A 14 10.394 5.301 1.239 1.00 0.00 C ATOM 184 C PRO A 14 9.576 5.986 0.142 1.00 0.00 C ATOM 185 O PRO A 14 8.862 6.952 0.407 1.00 0.00 O ATOM 186 CB PRO A 14 11.889 5.320 0.964 1.00 0.00 C ATOM 187 CG PRO A 14 12.238 3.927 0.465 1.00 0.00 C ATOM 188 CD PRO A 14 11.063 3.013 0.775 1.00 0.00 C ATOM 0 HA PRO A 14 10.162 5.860 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.140 6.076 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.449 5.563 1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.436 3.944 -0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.143 3.563 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.698 2.519 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.346 2.229 1.477 1.00 0.00 H new ATOM 196 N ALA A 15 9.708 5.459 -1.066 1.00 0.00 N ATOM 197 CA ALA A 15 8.989 6.008 -2.204 1.00 0.00 C ATOM 198 C ALA A 15 9.661 5.542 -3.498 1.00 0.00 C ATOM 199 O ALA A 15 9.022 5.488 -4.548 1.00 0.00 O ATOM 200 CB ALA A 15 8.939 7.533 -2.090 1.00 0.00 C ATOM 0 H ALA A 15 10.302 4.658 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 15 7.960 5.649 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.400 7.944 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.428 7.812 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.954 7.930 -2.076 1.00 0.00 H new ATOM 206 N LYS A 16 10.940 5.217 -3.380 1.00 0.00 N ATOM 207 CA LYS A 16 11.704 4.758 -4.527 1.00 0.00 C ATOM 208 C LYS A 16 11.646 3.231 -4.594 1.00 0.00 C ATOM 209 O LYS A 16 12.320 2.616 -5.420 1.00 0.00 O ATOM 210 CB LYS A 16 13.127 5.318 -4.481 1.00 0.00 C ATOM 211 CG LYS A 16 13.898 4.761 -3.283 1.00 0.00 C ATOM 212 CD LYS A 16 14.743 3.551 -3.688 1.00 0.00 C ATOM 213 CE LYS A 16 14.847 2.545 -2.540 1.00 0.00 C ATOM 214 NZ LYS A 16 15.700 1.401 -2.930 1.00 0.00 N ATOM 0 H LYS A 16 11.466 5.263 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 16 11.267 5.135 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.650 5.066 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.092 6.406 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.542 5.536 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.199 4.474 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.300 3.069 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.740 3.881 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.263 3.032 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.853 2.189 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.760 0.728 -2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.287 0.927 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.653 1.743 -3.166 1.00 0.00 H new ATOM 228 N ASP A 17 10.835 2.662 -3.715 1.00 0.00 N ATOM 229 CA ASP A 17 10.680 1.218 -3.664 1.00 0.00 C ATOM 230 C ASP A 17 9.201 0.862 -3.826 1.00 0.00 C ATOM 231 O ASP A 17 8.808 -0.284 -3.610 1.00 0.00 O ATOM 232 CB ASP A 17 11.157 0.659 -2.322 1.00 0.00 C ATOM 233 CG ASP A 17 10.827 -0.815 -2.081 1.00 0.00 C ATOM 234 OD1 ASP A 17 10.739 -1.549 -3.089 1.00 0.00 O ATOM 235 OD2 ASP A 17 10.671 -1.175 -0.895 1.00 0.00 O ATOM 0 H ASP A 17 10.278 3.175 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 17 11.278 0.787 -4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.237 0.790 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.714 1.251 -1.521 1.00 0.00 H new ATOM 240 N ARG A 18 8.422 1.864 -4.205 1.00 0.00 N ATOM 241 CA ARG A 18 6.995 1.671 -4.398 1.00 0.00 C ATOM 242 C ARG A 18 6.731 0.949 -5.721 1.00 0.00 C ATOM 243 O ARG A 18 7.001 1.490 -6.792 1.00 0.00 O ATOM 244 CB ARG A 18 6.253 3.009 -4.398 1.00 0.00 C ATOM 245 CG ARG A 18 6.780 3.928 -3.295 1.00 0.00 C ATOM 246 CD ARG A 18 6.583 3.297 -1.915 1.00 0.00 C ATOM 247 NE ARG A 18 6.814 4.307 -0.858 1.00 0.00 N ATOM 248 CZ ARG A 18 6.049 5.393 -0.678 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.001 5.615 -1.482 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.333 6.256 0.307 1.00 0.00 N ATOM 0 H ARG A 18 8.752 2.812 -4.384 1.00 0.00 H new ATOM 0 HA ARG A 18 6.628 1.065 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.370 3.494 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.186 2.837 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.839 4.129 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.263 4.887 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.573 2.895 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.271 2.461 -1.787 1.00 0.00 H new ATOM 0 HE ARG A 18 7.604 4.168 -0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.785 4.958 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.419 6.441 -1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.131 6.086 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.751 7.083 0.444 1.00 0.00 H new ATOM 264 N VAL A 19 6.207 -0.262 -5.603 1.00 0.00 N ATOM 265 CA VAL A 19 5.904 -1.064 -6.777 1.00 0.00 C ATOM 266 C VAL A 19 4.571 -0.606 -7.372 1.00 0.00 C ATOM 267 O VAL A 19 4.209 -1.008 -8.476 1.00 0.00 O ATOM 268 CB VAL A 19 5.917 -2.550 -6.413 1.00 0.00 C ATOM 269 CG1 VAL A 19 6.155 -3.415 -7.652 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.960 -2.840 -5.333 1.00 0.00 C ATOM 0 H VAL A 19 5.984 -0.708 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 19 6.667 -0.924 -7.543 1.00 0.00 H new ATOM 0 HB VAL A 19 4.937 -2.805 -6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.160 -4.467 -7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.360 -3.240 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.115 -3.156 -8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.949 -3.903 -5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.949 -2.561 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.727 -2.263 -4.438 1.00 0.00 H new ATOM 280 N ASP A 20 3.876 0.229 -6.612 1.00 0.00 N ATOM 281 CA ASP A 20 2.591 0.746 -7.050 1.00 0.00 C ATOM 282 C ASP A 20 1.634 -0.421 -7.297 1.00 0.00 C ATOM 283 O ASP A 20 1.879 -1.257 -8.166 1.00 0.00 O ATOM 284 CB ASP A 20 2.729 1.529 -8.358 1.00 0.00 C ATOM 285 CG ASP A 20 1.416 1.782 -9.102 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.942 0.828 -9.756 1.00 0.00 O ATOM 287 OD2 ASP A 20 0.916 2.923 -8.999 1.00 0.00 O ATOM 0 H ASP A 20 4.179 0.560 -5.696 1.00 0.00 H new ATOM 0 HA ASP A 20 2.211 1.408 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.197 2.489 -8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.405 0.987 -9.019 1.00 0.00 H new ATOM 292 N CYS A 21 0.562 -0.442 -6.518 1.00 0.00 N ATOM 293 CA CYS A 21 -0.433 -1.493 -6.641 1.00 0.00 C ATOM 294 C CYS A 21 -1.420 -1.094 -7.740 1.00 0.00 C ATOM 295 O CYS A 21 -2.106 -1.946 -8.303 1.00 0.00 O ATOM 296 CB CYS A 21 -1.138 -1.763 -5.311 1.00 0.00 C ATOM 297 SG CYS A 21 -1.511 -3.525 -4.983 1.00 0.00 S ATOM 0 H CYS A 21 0.361 0.253 -5.799 1.00 0.00 H new ATOM 0 HA CYS A 21 0.055 -2.429 -6.914 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.515 -1.381 -4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.070 -1.199 -5.289 1.00 0.00 H new ATOM 302 N GLY A 22 -1.462 0.202 -8.011 1.00 0.00 N ATOM 303 CA GLY A 22 -2.354 0.725 -9.032 1.00 0.00 C ATOM 304 C GLY A 22 -3.816 0.591 -8.603 1.00 0.00 C ATOM 305 O GLY A 22 -4.451 -0.431 -8.861 1.00 0.00 O ATOM 0 H GLY A 22 -0.893 0.906 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.121 1.773 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.195 0.189 -9.968 1.00 0.00 H new ATOM 309 N TYR A 23 -4.308 1.637 -7.956 1.00 0.00 N ATOM 310 CA TYR A 23 -5.684 1.649 -7.489 1.00 0.00 C ATOM 311 C TYR A 23 -6.332 3.014 -7.726 1.00 0.00 C ATOM 312 O TYR A 23 -5.655 4.040 -7.698 1.00 0.00 O ATOM 313 CB TYR A 23 -5.621 1.382 -5.983 1.00 0.00 C ATOM 314 CG TYR A 23 -5.701 -0.099 -5.610 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.862 -0.808 -5.843 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.612 -0.727 -5.039 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.937 -2.203 -5.491 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.687 -2.121 -4.687 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.846 -2.790 -4.931 1.00 0.00 C ATOM 320 OH TYR A 23 -5.917 -4.107 -4.599 1.00 0.00 O ATOM 0 H TYR A 23 -3.778 2.483 -7.744 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.276 0.904 -8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.692 1.796 -5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.438 1.914 -5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.714 -0.317 -6.289 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.704 -0.172 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.839 -2.770 -5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.843 -2.624 -4.240 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.227 -4.315 -3.935 1.00 0.00 H new ATOM 330 N PRO A 24 -7.671 2.982 -7.961 1.00 0.00 N ATOM 331 CA PRO A 24 -8.419 4.204 -8.203 1.00 0.00 C ATOM 332 C PRO A 24 -8.630 4.984 -6.904 1.00 0.00 C ATOM 333 O PRO A 24 -8.001 6.019 -6.687 1.00 0.00 O ATOM 334 CB PRO A 24 -9.721 3.749 -8.841 1.00 0.00 C ATOM 335 CG PRO A 24 -9.854 2.272 -8.509 1.00 0.00 C ATOM 336 CD PRO A 24 -8.507 1.785 -8.001 1.00 0.00 C ATOM 0 HA PRO A 24 -7.891 4.897 -8.858 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.566 4.315 -8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.704 3.907 -9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.625 2.118 -7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.156 1.708 -9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.597 1.331 -7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.084 1.029 -8.662 1.00 0.00 H new ATOM 344 N HIS A 25 -9.518 4.458 -6.073 1.00 0.00 N ATOM 345 CA HIS A 25 -9.820 5.092 -4.801 1.00 0.00 C ATOM 346 C HIS A 25 -8.904 4.525 -3.714 1.00 0.00 C ATOM 347 O HIS A 25 -9.264 3.566 -3.032 1.00 0.00 O ATOM 348 CB HIS A 25 -11.304 4.947 -4.460 1.00 0.00 C ATOM 349 CG HIS A 25 -11.725 3.533 -4.139 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.939 3.228 -3.547 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.084 2.345 -4.335 1.00 0.00 C ATOM 352 CE1 HIS A 25 -13.012 1.914 -3.397 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.861 1.369 -3.885 1.00 0.00 N ATOM 0 H HIS A 25 -10.038 3.600 -6.256 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.626 6.162 -4.870 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.535 5.586 -3.608 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.896 5.310 -5.300 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -13.655 3.901 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.108 2.220 -4.781 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.838 1.370 -2.964 1.00 0.00 H new ATOM 362 N VAL A 26 -7.738 5.141 -3.587 1.00 0.00 N ATOM 363 CA VAL A 26 -6.768 4.709 -2.595 1.00 0.00 C ATOM 364 C VAL A 26 -6.862 5.617 -1.367 1.00 0.00 C ATOM 365 O VAL A 26 -6.980 6.834 -1.498 1.00 0.00 O ATOM 366 CB VAL A 26 -5.368 4.680 -3.211 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.266 3.602 -4.292 1.00 0.00 C ATOM 368 CG2 VAL A 26 -4.985 6.052 -3.767 1.00 0.00 C ATOM 0 H VAL A 26 -7.443 5.936 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.985 3.693 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.660 4.429 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.261 3.603 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.475 2.626 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.990 3.808 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.985 6.003 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.699 6.345 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.997 6.787 -2.962 1.00 0.00 H new ATOM 378 N THR A 27 -6.808 4.989 -0.201 1.00 0.00 N ATOM 379 CA THR A 27 -6.886 5.725 1.049 1.00 0.00 C ATOM 380 C THR A 27 -6.116 4.991 2.149 1.00 0.00 C ATOM 381 O THR A 27 -5.668 3.862 1.951 1.00 0.00 O ATOM 382 CB THR A 27 -8.364 5.939 1.381 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.735 4.759 2.089 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.252 5.921 0.135 1.00 0.00 C ATOM 0 H THR A 27 -6.711 3.979 -0.096 1.00 0.00 H new ATOM 0 HA THR A 27 -6.413 6.703 0.962 1.00 0.00 H new ATOM 0 HB THR A 27 -8.486 6.890 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.859 4.972 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.291 6.077 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.942 6.715 -0.544 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.157 4.958 -0.366 1.00 0.00 H new ATOM 392 N PRO A 28 -5.983 5.679 3.315 1.00 0.00 N ATOM 393 CA PRO A 28 -5.276 5.104 4.446 1.00 0.00 C ATOM 394 C PRO A 28 -6.123 4.032 5.135 1.00 0.00 C ATOM 395 O PRO A 28 -6.126 3.932 6.361 1.00 0.00 O ATOM 396 CB PRO A 28 -4.958 6.283 5.352 1.00 0.00 C ATOM 397 CG PRO A 28 -5.898 7.399 4.927 1.00 0.00 C ATOM 398 CD PRO A 28 -6.500 7.017 3.585 1.00 0.00 C ATOM 0 HA PRO A 28 -4.363 4.587 4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.109 6.023 6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.917 6.588 5.246 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.682 7.541 5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.359 8.343 4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.589 7.020 3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.207 7.720 2.805 1.00 0.00 H new ATOM 406 N LYS A 29 -6.820 3.258 4.317 1.00 0.00 N ATOM 407 CA LYS A 29 -7.669 2.197 4.833 1.00 0.00 C ATOM 408 C LYS A 29 -8.280 1.425 3.662 1.00 0.00 C ATOM 409 O LYS A 29 -8.251 0.195 3.642 1.00 0.00 O ATOM 410 CB LYS A 29 -8.706 2.765 5.803 1.00 0.00 C ATOM 411 CG LYS A 29 -9.147 1.707 6.816 1.00 0.00 C ATOM 412 CD LYS A 29 -10.119 0.711 6.181 1.00 0.00 C ATOM 413 CE LYS A 29 -11.541 0.921 6.708 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.283 -0.359 6.720 1.00 0.00 N ATOM 0 H LYS A 29 -6.815 3.344 3.301 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.081 1.486 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.286 3.623 6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.572 3.124 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.274 1.176 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.622 2.191 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.108 0.827 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.794 -0.307 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.504 1.336 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.064 1.645 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.245 -0.199 7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.334 -0.740 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.792 -1.039 7.335 1.00 0.00 H new ATOM 428 N GLU A 30 -8.820 2.178 2.715 1.00 0.00 N ATOM 429 CA GLU A 30 -9.437 1.579 1.544 1.00 0.00 C ATOM 430 C GLU A 30 -8.373 0.933 0.654 1.00 0.00 C ATOM 431 O GLU A 30 -8.581 -0.156 0.123 1.00 0.00 O ATOM 432 CB GLU A 30 -10.250 2.614 0.763 1.00 0.00 C ATOM 433 CG GLU A 30 -10.738 2.038 -0.568 1.00 0.00 C ATOM 434 CD GLU A 30 -12.196 2.420 -0.829 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.433 3.623 -1.069 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.041 1.500 -0.782 1.00 0.00 O ATOM 0 H GLU A 30 -8.843 3.198 2.735 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.124 0.801 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.104 2.936 1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.639 3.498 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.111 2.407 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.639 0.953 -0.557 1.00 0.00 H new ATOM 443 N CYS A 31 -7.256 1.633 0.520 1.00 0.00 N ATOM 444 CA CYS A 31 -6.159 1.141 -0.296 1.00 0.00 C ATOM 445 C CYS A 31 -5.558 -0.084 0.395 1.00 0.00 C ATOM 446 O CYS A 31 -5.214 -1.066 -0.262 1.00 0.00 O ATOM 447 CB CYS A 31 -5.110 2.226 -0.547 1.00 0.00 C ATOM 448 SG CYS A 31 -3.430 1.600 -0.912 1.00 0.00 S ATOM 0 H CYS A 31 -7.087 2.536 0.963 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.534 0.855 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.441 2.845 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.059 2.872 0.329 1.00 0.00 H new ATOM 453 N ASN A 32 -5.450 0.012 1.712 1.00 0.00 N ATOM 454 CA ASN A 32 -4.897 -1.077 2.500 1.00 0.00 C ATOM 455 C ASN A 32 -5.980 -2.131 2.735 1.00 0.00 C ATOM 456 O ASN A 32 -5.711 -3.184 3.313 1.00 0.00 O ATOM 457 CB ASN A 32 -4.416 -0.580 3.864 1.00 0.00 C ATOM 458 CG ASN A 32 -5.376 -1.012 4.975 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.520 -0.592 5.039 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.848 -1.871 5.842 1.00 0.00 N ATOM 0 H ASN A 32 -5.736 0.828 2.254 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.054 -1.497 1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.419 -0.972 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.335 0.507 3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.408 -2.219 6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.883 -2.181 5.729 1.00 0.00 H new ATOM 467 N ASN A 33 -7.181 -1.813 2.276 1.00 0.00 N ATOM 468 CA ASN A 33 -8.306 -2.720 2.430 1.00 0.00 C ATOM 469 C ASN A 33 -8.537 -3.465 1.114 1.00 0.00 C ATOM 470 O ASN A 33 -8.869 -4.650 1.117 1.00 0.00 O ATOM 471 CB ASN A 33 -9.586 -1.957 2.773 1.00 0.00 C ATOM 472 CG ASN A 33 -10.805 -2.880 2.723 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.973 -3.773 3.538 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.643 -2.617 1.725 1.00 0.00 N ATOM 0 H ASN A 33 -7.400 -0.939 1.797 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.073 -3.413 3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.497 -1.519 3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.721 -1.133 2.073 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.487 -3.178 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.442 -1.854 1.078 1.00 0.00 H new ATOM 481 N ARG A 34 -8.354 -2.741 0.020 1.00 0.00 N ATOM 482 CA ARG A 34 -8.539 -3.319 -1.300 1.00 0.00 C ATOM 483 C ARG A 34 -7.606 -4.516 -1.491 1.00 0.00 C ATOM 484 O ARG A 34 -7.903 -5.422 -2.269 1.00 0.00 O ATOM 485 CB ARG A 34 -8.265 -2.287 -2.397 1.00 0.00 C ATOM 486 CG ARG A 34 -9.259 -2.434 -3.550 1.00 0.00 C ATOM 487 CD ARG A 34 -10.672 -2.044 -3.109 1.00 0.00 C ATOM 488 NE ARG A 34 -11.651 -2.429 -4.149 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.092 -3.679 -4.339 1.00 0.00 C ATOM 490 NH1 ARG A 34 -11.644 -4.674 -3.561 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.982 -3.936 -5.308 1.00 0.00 N ATOM 0 H ARG A 34 -8.079 -1.759 0.021 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.576 -3.647 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.332 -1.282 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.249 -2.410 -2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.948 -1.806 -4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.257 -3.464 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.917 -2.536 -2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.723 -0.970 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.013 -1.696 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.967 -4.479 -2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.980 -5.626 -3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.323 -3.179 -5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.318 -4.888 -5.453 1.00 0.00 H new ATOM 505 N GLY A 35 -6.496 -4.482 -0.769 1.00 0.00 N ATOM 506 CA GLY A 35 -5.517 -5.553 -0.849 1.00 0.00 C ATOM 507 C GLY A 35 -4.149 -5.015 -1.275 1.00 0.00 C ATOM 508 O GLY A 35 -3.711 -5.246 -2.401 1.00 0.00 O ATOM 0 H GLY A 35 -6.252 -3.729 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.432 -6.046 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.854 -6.306 -1.562 1.00 0.00 H new ATOM 512 N CYS A 36 -3.513 -4.308 -0.353 1.00 0.00 N ATOM 513 CA CYS A 36 -2.205 -3.735 -0.619 1.00 0.00 C ATOM 514 C CYS A 36 -1.863 -2.768 0.516 1.00 0.00 C ATOM 515 O CYS A 36 -2.415 -2.871 1.610 1.00 0.00 O ATOM 516 CB CYS A 36 -2.154 -3.051 -1.987 1.00 0.00 C ATOM 517 SG CYS A 36 -0.848 -3.671 -3.108 1.00 0.00 S ATOM 0 H CYS A 36 -3.880 -4.119 0.580 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.459 -4.529 -0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.121 -3.174 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.007 -1.981 -1.837 1.00 0.00 H new ATOM 522 N CYS A 37 -0.955 -1.851 0.216 1.00 0.00 N ATOM 523 CA CYS A 37 -0.533 -0.866 1.198 1.00 0.00 C ATOM 524 C CYS A 37 -0.854 0.526 0.650 1.00 0.00 C ATOM 525 O CYS A 37 -0.889 0.727 -0.563 1.00 0.00 O ATOM 526 CB CYS A 37 0.949 -1.015 1.547 1.00 0.00 C ATOM 527 SG CYS A 37 1.289 -2.020 3.038 1.00 0.00 S ATOM 0 H CYS A 37 -0.500 -1.769 -0.693 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.075 -1.022 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.464 -1.464 0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.376 -0.022 1.690 1.00 0.00 H new ATOM 532 N PHE A 38 -1.080 1.451 1.571 1.00 0.00 N ATOM 533 CA PHE A 38 -1.397 2.819 1.195 1.00 0.00 C ATOM 534 C PHE A 38 -0.311 3.784 1.675 1.00 0.00 C ATOM 535 O PHE A 38 0.604 3.387 2.395 1.00 0.00 O ATOM 536 CB PHE A 38 -2.718 3.176 1.878 1.00 0.00 C ATOM 537 CG PHE A 38 -3.117 4.645 1.732 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.752 5.069 0.606 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.838 5.528 2.728 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.122 6.433 0.470 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.208 6.893 2.592 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.842 7.316 1.466 1.00 0.00 C ATOM 0 H PHE A 38 -1.050 1.281 2.576 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.465 2.901 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.510 2.552 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.644 2.934 2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.975 4.368 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.335 5.192 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.626 6.769 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.986 7.594 3.383 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.123 8.354 1.362 1.00 0.00 H new ATOM 552 N ASP A 39 -0.449 5.034 1.257 1.00 0.00 N ATOM 553 CA ASP A 39 0.509 6.059 1.636 1.00 0.00 C ATOM 554 C ASP A 39 0.102 7.390 1.000 1.00 0.00 C ATOM 555 O ASP A 39 -0.321 7.428 -0.155 1.00 0.00 O ATOM 556 CB ASP A 39 1.914 5.710 1.142 1.00 0.00 C ATOM 557 CG ASP A 39 2.986 6.758 1.447 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.522 6.710 2.575 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.246 7.583 0.545 1.00 0.00 O ATOM 0 H ASP A 39 -1.209 5.360 0.660 1.00 0.00 H new ATOM 0 HA ASP A 39 0.516 6.128 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.215 4.763 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.876 5.555 0.064 1.00 0.00 H new ATOM 564 N SER A 40 0.244 8.451 1.782 1.00 0.00 N ATOM 565 CA SER A 40 -0.104 9.780 1.310 1.00 0.00 C ATOM 566 C SER A 40 1.024 10.762 1.633 1.00 0.00 C ATOM 567 O SER A 40 0.820 11.975 1.617 1.00 0.00 O ATOM 568 CB SER A 40 -1.418 10.259 1.930 1.00 0.00 C ATOM 569 OG SER A 40 -1.312 10.425 3.342 1.00 0.00 O ATOM 0 H SER A 40 0.595 8.417 2.739 1.00 0.00 H new ATOM 0 HA SER A 40 -0.239 9.734 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.710 11.205 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.207 9.541 1.707 1.00 0.00 H new ATOM 0 HG SER A 40 -2.170 10.733 3.700 1.00 0.00 H new ATOM 575 N ARG A 41 2.190 10.201 1.918 1.00 0.00 N ATOM 576 CA ARG A 41 3.351 11.011 2.244 1.00 0.00 C ATOM 577 C ARG A 41 3.692 11.943 1.080 1.00 0.00 C ATOM 578 O ARG A 41 3.980 13.121 1.286 1.00 0.00 O ATOM 579 CB ARG A 41 4.565 10.134 2.558 1.00 0.00 C ATOM 580 CG ARG A 41 5.412 10.749 3.674 1.00 0.00 C ATOM 581 CD ARG A 41 6.193 9.670 4.427 1.00 0.00 C ATOM 582 NE ARG A 41 7.008 10.289 5.496 1.00 0.00 N ATOM 583 CZ ARG A 41 7.614 9.600 6.473 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.501 8.265 6.521 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.334 10.245 7.401 1.00 0.00 N ATOM 0 H ARG A 41 2.355 9.195 1.930 1.00 0.00 H new ATOM 0 HA ARG A 41 3.105 11.601 3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.232 9.139 2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.172 10.012 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.105 11.476 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.768 11.289 4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.503 8.944 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.837 9.126 3.736 1.00 0.00 H new ATOM 0 HE ARG A 41 7.115 11.303 5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.954 7.774 5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.962 7.741 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.421 11.261 7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.795 9.720 8.144 1.00 0.00 H new ATOM 599 N ILE A 42 3.648 11.381 -0.119 1.00 0.00 N ATOM 600 CA ILE A 42 3.948 12.147 -1.317 1.00 0.00 C ATOM 601 C ILE A 42 3.158 11.574 -2.495 1.00 0.00 C ATOM 602 O ILE A 42 3.122 10.360 -2.691 1.00 0.00 O ATOM 603 CB ILE A 42 5.459 12.198 -1.556 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.159 11.008 -0.895 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.042 13.535 -1.094 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.637 9.684 -1.456 1.00 0.00 C ATOM 0 H ILE A 42 3.409 10.404 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 42 3.633 13.183 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 42 5.638 12.122 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.234 11.078 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.998 11.039 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.117 13.545 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.573 14.348 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.852 13.666 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.151 8.855 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.566 9.607 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.822 9.646 -2.530 1.00 0.00 H new ATOM 618 N PRO A 43 2.529 12.499 -3.269 1.00 0.00 N ATOM 619 CA PRO A 43 1.742 12.098 -4.423 1.00 0.00 C ATOM 620 C PRO A 43 2.646 11.688 -5.587 1.00 0.00 C ATOM 621 O PRO A 43 2.276 10.835 -6.394 1.00 0.00 O ATOM 622 CB PRO A 43 0.871 13.302 -4.742 1.00 0.00 C ATOM 623 CG PRO A 43 1.530 14.487 -4.054 1.00 0.00 C ATOM 624 CD PRO A 43 2.550 13.944 -3.067 1.00 0.00 C ATOM 0 HA PRO A 43 1.127 11.219 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.805 13.462 -5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.146 13.156 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.014 15.133 -4.786 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.784 15.092 -3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.541 14.356 -3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.286 14.204 -2.042 1.00 0.00 H new ATOM 632 N GLY A 44 3.812 12.314 -5.638 1.00 0.00 N ATOM 633 CA GLY A 44 4.771 12.024 -6.691 1.00 0.00 C ATOM 634 C GLY A 44 4.933 10.515 -6.886 1.00 0.00 C ATOM 635 O GLY A 44 5.201 10.054 -7.994 1.00 0.00 O ATOM 0 H GLY A 44 4.115 13.021 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.441 12.481 -7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.735 12.468 -6.442 1.00 0.00 H new ATOM 639 N VAL A 45 4.762 9.788 -5.792 1.00 0.00 N ATOM 640 CA VAL A 45 4.885 8.340 -5.829 1.00 0.00 C ATOM 641 C VAL A 45 3.490 7.713 -5.787 1.00 0.00 C ATOM 642 O VAL A 45 2.498 8.410 -5.581 1.00 0.00 O ATOM 643 CB VAL A 45 5.790 7.863 -4.691 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.797 8.946 -4.299 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.963 7.421 -3.482 1.00 0.00 C ATOM 0 H VAL A 45 4.539 10.174 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 45 5.357 8.020 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 45 6.350 6.999 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.427 8.580 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.419 9.193 -5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.263 9.837 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.630 7.087 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.364 8.259 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.304 6.602 -3.771 1.00 0.00 H new ATOM 655 N PRO A 46 3.458 6.369 -5.992 1.00 0.00 N ATOM 656 CA PRO A 46 2.202 5.640 -5.980 1.00 0.00 C ATOM 657 C PRO A 46 1.680 5.469 -4.551 1.00 0.00 C ATOM 658 O PRO A 46 1.998 4.487 -3.884 1.00 0.00 O ATOM 659 CB PRO A 46 2.508 4.316 -6.662 1.00 0.00 C ATOM 660 CG PRO A 46 4.020 4.163 -6.613 1.00 0.00 C ATOM 661 CD PRO A 46 4.614 5.511 -6.239 1.00 0.00 C ATOM 0 HA PRO A 46 1.405 6.168 -6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.015 3.490 -6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.148 4.314 -7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.303 3.405 -5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.402 3.833 -7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.246 5.434 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.236 5.906 -7.042 1.00 0.00 H new ATOM 669 N TRP A 47 0.888 6.442 -4.125 1.00 0.00 N ATOM 670 CA TRP A 47 0.319 6.412 -2.788 1.00 0.00 C ATOM 671 C TRP A 47 0.108 4.948 -2.397 1.00 0.00 C ATOM 672 O TRP A 47 0.613 4.498 -1.370 1.00 0.00 O ATOM 673 CB TRP A 47 -0.965 7.241 -2.720 1.00 0.00 C ATOM 674 CG TRP A 47 -0.738 8.714 -2.375 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.346 9.462 -2.624 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.666 9.593 -1.705 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.185 10.753 -2.164 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.077 10.835 -1.588 1.00 0.00 C ATOM 679 CE3 TRP A 47 -2.960 9.346 -1.213 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.708 11.929 -0.982 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.577 10.449 -0.611 1.00 0.00 C ATOM 682 CH2 TRP A 47 -2.998 11.706 -0.485 1.00 0.00 C ATOM 0 H TRP A 47 0.627 7.256 -4.682 1.00 0.00 H new ATOM 0 HA TRP A 47 0.998 6.870 -2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.477 7.178 -3.680 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.629 6.802 -1.975 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.233 9.100 -3.122 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.867 11.508 -2.234 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.440 8.382 -1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.226 12.892 -0.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.573 10.313 -0.217 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.541 12.507 -0.006 1.00 0.00 H new ATOM 693 N CYS A 48 -0.640 4.247 -3.236 1.00 0.00 N ATOM 694 CA CYS A 48 -0.924 2.843 -2.990 1.00 0.00 C ATOM 695 C CYS A 48 0.134 2.005 -3.712 1.00 0.00 C ATOM 696 O CYS A 48 0.183 1.986 -4.941 1.00 0.00 O ATOM 697 CB CYS A 48 -2.342 2.469 -3.425 1.00 0.00 C ATOM 698 SG CYS A 48 -3.017 0.965 -2.630 1.00 0.00 S ATOM 0 H CYS A 48 -1.058 4.624 -4.086 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.877 2.642 -1.920 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.006 3.306 -3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.350 2.326 -4.506 1.00 0.00 H new ATOM 703 N PHE A 49 0.953 1.333 -2.917 1.00 0.00 N ATOM 704 CA PHE A 49 2.007 0.495 -3.465 1.00 0.00 C ATOM 705 C PHE A 49 2.035 -0.871 -2.777 1.00 0.00 C ATOM 706 O PHE A 49 1.416 -1.055 -1.730 1.00 0.00 O ATOM 707 CB PHE A 49 3.332 1.213 -3.200 1.00 0.00 C ATOM 708 CG PHE A 49 3.470 1.760 -1.778 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.619 0.904 -0.731 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.444 3.102 -1.560 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.748 1.412 0.589 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.572 3.610 -0.240 1.00 0.00 C ATOM 713 CZ PHE A 49 3.721 2.754 0.806 1.00 0.00 C ATOM 0 H PHE A 49 0.909 1.351 -1.898 1.00 0.00 H new ATOM 0 HA PHE A 49 1.838 0.332 -4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.153 0.522 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.435 2.037 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.639 -0.162 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.326 3.782 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.867 0.733 1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.551 4.676 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.818 3.140 1.810 1.00 0.00 H new ATOM 723 N LYS A 50 2.758 -1.794 -3.393 1.00 0.00 N ATOM 724 CA LYS A 50 2.874 -3.138 -2.854 1.00 0.00 C ATOM 725 C LYS A 50 3.543 -3.075 -1.479 1.00 0.00 C ATOM 726 O LYS A 50 4.146 -2.063 -1.124 1.00 0.00 O ATOM 727 CB LYS A 50 3.594 -4.053 -3.846 1.00 0.00 C ATOM 728 CG LYS A 50 2.687 -4.403 -5.027 1.00 0.00 C ATOM 729 CD LYS A 50 2.927 -5.839 -5.498 1.00 0.00 C ATOM 730 CE LYS A 50 3.187 -5.885 -7.005 1.00 0.00 C ATOM 731 NZ LYS A 50 2.356 -6.932 -7.642 1.00 0.00 N ATOM 0 H LYS A 50 3.270 -1.637 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 50 1.887 -3.577 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.497 -3.562 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.909 -4.966 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.643 -4.282 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.872 -3.711 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.778 -6.263 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.061 -6.455 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.963 -4.915 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.242 -6.085 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.544 -6.950 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.589 -7.858 -7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.350 -6.724 -7.479 1.00 0.00 H new ATOM 745 N PRO A 51 3.410 -4.197 -0.723 1.00 0.00 N ATOM 746 CA PRO A 51 3.994 -4.279 0.605 1.00 0.00 C ATOM 747 C PRO A 51 5.510 -4.469 0.526 1.00 0.00 C ATOM 748 O PRO A 51 5.989 -5.417 -0.095 1.00 0.00 O ATOM 749 CB PRO A 51 3.283 -5.442 1.277 1.00 0.00 C ATOM 750 CG PRO A 51 2.665 -6.258 0.153 1.00 0.00 C ATOM 751 CD PRO A 51 2.703 -5.414 -1.111 1.00 0.00 C ATOM 0 HA PRO A 51 3.861 -3.363 1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.982 -6.044 1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.518 -5.086 1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.216 -7.187 0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.639 -6.531 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.221 -5.933 -1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.698 -5.191 -1.469 1.00 0.00 H new ATOM 759 N LEU A 52 6.224 -3.554 1.166 1.00 0.00 N ATOM 760 CA LEU A 52 7.676 -3.609 1.176 1.00 0.00 C ATOM 761 C LEU A 52 8.127 -5.069 1.094 1.00 0.00 C ATOM 762 O LEU A 52 7.691 -5.903 1.887 1.00 0.00 O ATOM 763 CB LEU A 52 8.232 -2.861 2.389 1.00 0.00 C ATOM 764 CG LEU A 52 9.555 -3.385 2.952 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.430 -2.235 3.455 1.00 0.00 C ATOM 766 CD2 LEU A 52 9.311 -4.437 4.036 1.00 0.00 C ATOM 0 H LEU A 52 5.824 -2.770 1.681 1.00 0.00 H new ATOM 0 HA LEU A 52 8.083 -3.099 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.366 -1.814 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.485 -2.890 3.183 1.00 0.00 H new ATOM 0 HG LEU A 52 10.100 -3.875 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.364 -2.634 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.646 -1.555 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.904 -1.695 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.267 -4.793 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.736 -3.995 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.756 -5.274 3.612 1.00 0.00 H new ATOM 778 N GLN A 53 8.994 -5.334 0.128 1.00 0.00 N ATOM 779 CA GLN A 53 9.509 -6.679 -0.067 1.00 0.00 C ATOM 780 C GLN A 53 10.783 -6.884 0.754 1.00 0.00 C ATOM 781 O GLN A 53 11.728 -7.521 0.292 1.00 0.00 O ATOM 782 CB GLN A 53 9.761 -6.959 -1.550 1.00 0.00 C ATOM 783 CG GLN A 53 8.541 -7.617 -2.199 1.00 0.00 C ATOM 784 CD GLN A 53 7.905 -6.688 -3.235 1.00 0.00 C ATOM 785 OE1 GLN A 53 7.462 -7.107 -4.292 1.00 0.00 O ATOM 786 NE2 GLN A 53 7.884 -5.408 -2.875 1.00 0.00 N ATOM 0 H GLN A 53 9.353 -4.640 -0.528 1.00 0.00 H new ATOM 0 HA GLN A 53 8.758 -7.389 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.993 -6.027 -2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.630 -7.608 -1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.838 -8.551 -2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.808 -7.869 -1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.272 -5.125 -1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.480 -4.709 -3.499 1.00 0.00 H new ATOM 795 N GLU A 54 10.769 -6.331 1.959 1.00 0.00 N ATOM 796 CA GLU A 54 11.911 -6.446 2.849 1.00 0.00 C ATOM 797 C GLU A 54 11.485 -7.060 4.183 1.00 0.00 C ATOM 798 O GLU A 54 11.967 -6.654 5.240 1.00 0.00 O ATOM 799 CB GLU A 54 12.580 -5.086 3.060 1.00 0.00 C ATOM 800 CG GLU A 54 14.046 -5.122 2.622 1.00 0.00 C ATOM 801 CD GLU A 54 14.873 -6.015 3.550 1.00 0.00 C ATOM 802 OE1 GLU A 54 14.936 -7.229 3.260 1.00 0.00 O ATOM 803 OE2 GLU A 54 15.423 -5.463 4.527 1.00 0.00 O ATOM 0 H GLU A 54 9.984 -5.802 2.339 1.00 0.00 H new ATOM 0 HA GLU A 54 12.643 -7.107 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.046 -4.323 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.518 -4.805 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.115 -5.492 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.455 -4.112 2.624 1.00 0.00 H new ATOM 810 N ALA A 55 10.587 -8.030 4.092 1.00 0.00 N ATOM 811 CA ALA A 55 10.091 -8.705 5.279 1.00 0.00 C ATOM 812 C ALA A 55 10.238 -10.217 5.101 1.00 0.00 C ATOM 813 O ALA A 55 9.247 -10.945 5.097 1.00 0.00 O ATOM 814 CB ALA A 55 8.641 -8.287 5.536 1.00 0.00 C ATOM 0 H ALA A 55 10.190 -8.365 3.214 1.00 0.00 H new ATOM 0 HA ALA A 55 10.674 -8.418 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.269 -8.793 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.594 -7.208 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.026 -8.561 4.679 1.00 0.00 H new ATOM 820 N GLU A 56 11.484 -10.645 4.957 1.00 0.00 N ATOM 821 CA GLU A 56 11.774 -12.057 4.778 1.00 0.00 C ATOM 822 C GLU A 56 11.098 -12.881 5.875 1.00 0.00 C ATOM 823 O GLU A 56 11.494 -12.817 7.038 1.00 0.00 O ATOM 824 CB GLU A 56 13.283 -12.308 4.755 1.00 0.00 C ATOM 825 CG GLU A 56 13.872 -11.986 3.380 1.00 0.00 C ATOM 826 CD GLU A 56 14.933 -13.015 2.983 1.00 0.00 C ATOM 827 OE1 GLU A 56 14.637 -14.221 3.131 1.00 0.00 O ATOM 828 OE2 GLU A 56 16.015 -12.573 2.540 1.00 0.00 O ATOM 0 H GLU A 56 12.304 -10.038 4.961 1.00 0.00 H new ATOM 0 HA GLU A 56 11.372 -12.371 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.769 -11.696 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.486 -13.349 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.077 -11.972 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.314 -10.990 3.394 1.00 0.00 H new ATOM 835 N CYS A 57 10.088 -13.636 5.467 1.00 0.00 N ATOM 836 CA CYS A 57 9.353 -14.472 6.401 1.00 0.00 C ATOM 837 C CYS A 57 8.992 -15.780 5.695 1.00 0.00 C ATOM 838 O CYS A 57 9.443 -16.851 6.096 1.00 0.00 O ATOM 839 CB CYS A 57 8.115 -13.757 6.946 1.00 0.00 C ATOM 840 SG CYS A 57 7.969 -13.757 8.770 1.00 0.00 S ATOM 0 H CYS A 57 9.762 -13.686 4.502 1.00 0.00 H new ATOM 0 HA CYS A 57 9.978 -14.689 7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.126 -12.725 6.597 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.226 -14.227 6.525 1.00 0.00 H new ATOM 0 HG CYS A 57 7.344 -12.684 9.155 1.00 0.00 H new ATOM 845 N THR A 58 8.182 -15.649 4.654 1.00 0.00 N ATOM 846 CA THR A 58 7.755 -16.807 3.888 1.00 0.00 C ATOM 847 C THR A 58 7.010 -17.796 4.787 1.00 0.00 C ATOM 848 O THR A 58 7.210 -17.810 6.000 1.00 0.00 O ATOM 849 CB THR A 58 8.990 -17.410 3.214 1.00 0.00 C ATOM 850 OG1 THR A 58 9.270 -16.516 2.140 1.00 0.00 O ATOM 851 CG2 THR A 58 8.689 -18.741 2.523 1.00 0.00 C ATOM 0 H THR A 58 7.810 -14.758 4.324 1.00 0.00 H new ATOM 0 HA THR A 58 7.046 -16.526 3.109 1.00 0.00 H new ATOM 0 HB THR A 58 9.774 -17.557 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.058 -16.830 1.650 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.599 -19.125 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.324 -19.458 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.929 -18.589 1.756 1.00 0.00 H new ATOM 859 N PHE A 59 6.166 -18.600 4.156 1.00 0.00 N ATOM 860 CA PHE A 59 5.390 -19.590 4.883 1.00 0.00 C ATOM 861 C PHE A 59 4.690 -18.960 6.089 1.00 0.00 C ATOM 862 O PHE A 59 4.837 -17.765 6.343 1.00 0.00 O ATOM 863 CB PHE A 59 6.372 -20.654 5.377 1.00 0.00 C ATOM 864 CG PHE A 59 5.700 -21.897 5.963 1.00 0.00 C ATOM 865 CD1 PHE A 59 4.843 -22.629 5.202 1.00 0.00 C ATOM 866 CD2 PHE A 59 5.960 -22.270 7.245 1.00 0.00 C ATOM 867 CE1 PHE A 59 4.219 -23.783 5.747 1.00 0.00 C ATOM 868 CE2 PHE A 59 5.336 -23.423 7.789 1.00 0.00 C ATOM 869 CZ PHE A 59 4.479 -24.156 7.028 1.00 0.00 C ATOM 0 H PHE A 59 6.003 -18.586 3.149 1.00 0.00 H new ATOM 0 HA PHE A 59 4.625 -20.014 4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 59 7.012 -20.956 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.019 -20.212 6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.637 -22.333 4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.641 -21.689 7.849 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.538 -24.364 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.542 -23.718 8.807 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.005 -25.034 7.442 1.00 0.00 H new TER 879 PHE A 59