USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 SER OG : rot 180:sc= 1.07 USER MOD Set 1.2: A 44 THR OG1 : rot -73:sc= 1.18 USER MOD Set 2.1: A 38 GLN : amide:sc= 0.643 K(o=2.5,f=0.21) USER MOD Set 2.2: A 39 GLN : amide:sc= 1.85 K(o=2.5,f=0.21) USER MOD Set 3.1: A 8 GLN : amide:sc= 0.65 X(o=1.5,f=1.5) USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0.813 USER MOD Set 4.1: A 10 HIS : no HE2:sc= -0.842 K(o=0.49,f=-1.5) USER MOD Set 4.2: A 29 SER OG : rot -76:sc= 1.33 USER MOD Single : A 1 GLY N :NH3+ 158:sc= 1.21 (180deg=0.999) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 3 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.9!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.18) USER MOD Single : A 14 CYS SG : rot -66:sc= 0.314 USER MOD Single : A 16 CYS SG : rot -152:sc= 1.49 USER MOD Single : A 17 CYS SG : rot -34:sc= 0.0891 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0.404 (180deg=0.188) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 46 SER OG : rot -140:sc= 0 USER MOD Single : A 54 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 55 ASN : amide:sc= 1.09 K(o=1.1,f=-0.032) USER MOD Single : A 56 GLN : amide:sc= 1.08 K(o=1.1,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.511 6.919 -12.288 1.00 0.00 N ATOM 2 CA GLY A 1 11.353 7.836 -13.430 1.00 0.00 C ATOM 3 C GLY A 1 11.007 9.216 -12.903 1.00 0.00 C ATOM 4 O GLY A 1 11.531 9.601 -11.861 1.00 0.00 O ATOM 0 H1 GLY A 1 11.377 5.939 -12.609 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.465 7.025 -11.887 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.803 7.145 -11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.273 7.874 -14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.568 7.478 -14.096 1.00 0.00 H new ATOM 8 N SER A 2 10.095 9.931 -13.571 1.00 0.00 N ATOM 9 CA SER A 2 9.571 11.216 -13.106 1.00 0.00 C ATOM 10 C SER A 2 8.819 11.101 -11.769 1.00 0.00 C ATOM 11 O SER A 2 8.643 12.100 -11.073 1.00 0.00 O ATOM 12 CB SER A 2 8.646 11.797 -14.184 1.00 0.00 C ATOM 13 OG SER A 2 9.206 11.603 -15.472 1.00 0.00 O ATOM 0 H SER A 2 9.697 9.628 -14.460 1.00 0.00 H new ATOM 0 HA SER A 2 10.418 11.879 -12.932 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.668 11.319 -14.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.491 12.861 -14.004 1.00 0.00 H new ATOM 0 HG SER A 2 8.605 11.977 -16.150 1.00 0.00 H new ATOM 19 N HIS A 3 8.394 9.887 -11.397 1.00 0.00 N ATOM 20 CA HIS A 3 7.976 9.478 -10.060 1.00 0.00 C ATOM 21 C HIS A 3 8.746 8.193 -9.717 1.00 0.00 C ATOM 22 O HIS A 3 9.357 7.575 -10.601 1.00 0.00 O ATOM 23 CB HIS A 3 6.452 9.257 -10.008 1.00 0.00 C ATOM 24 CG HIS A 3 5.596 10.498 -10.139 1.00 0.00 C ATOM 25 ND1 HIS A 3 6.027 11.797 -10.311 1.00 0.00 N ATOM 26 CD2 HIS A 3 4.227 10.528 -10.088 1.00 0.00 C ATOM 27 CE1 HIS A 3 4.940 12.585 -10.369 1.00 0.00 C ATOM 28 NE2 HIS A 3 3.821 11.856 -10.237 1.00 0.00 N ATOM 0 H HIS A 3 8.331 9.120 -12.067 1.00 0.00 H new ATOM 0 HA HIS A 3 8.200 10.254 -9.328 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.178 8.565 -10.805 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.208 8.769 -9.064 1.00 0.00 H new ATOM 0 HD1 HIS A 3 6.997 12.104 -10.382 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.577 9.676 -9.956 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.964 13.656 -10.503 1.00 0.00 H new ATOM 36 N MET A 4 8.736 7.800 -8.438 1.00 0.00 N ATOM 37 CA MET A 4 9.519 6.673 -7.943 1.00 0.00 C ATOM 38 C MET A 4 8.750 5.354 -8.065 1.00 0.00 C ATOM 39 O MET A 4 7.524 5.312 -7.964 1.00 0.00 O ATOM 40 CB MET A 4 9.985 6.932 -6.494 1.00 0.00 C ATOM 41 CG MET A 4 8.941 6.695 -5.389 1.00 0.00 C ATOM 42 SD MET A 4 7.385 7.632 -5.481 1.00 0.00 S ATOM 43 CE MET A 4 7.987 9.307 -5.136 1.00 0.00 C ATOM 0 H MET A 4 8.180 8.260 -7.717 1.00 0.00 H new ATOM 0 HA MET A 4 10.406 6.578 -8.569 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.847 6.295 -6.293 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.328 7.964 -6.424 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.693 5.634 -5.384 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.410 6.918 -4.431 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.151 10.006 -5.156 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.456 9.330 -4.152 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.717 9.594 -5.892 1.00 0.00 H new ATOM 53 N ALA A 5 9.506 4.264 -8.187 1.00 0.00 N ATOM 54 CA ALA A 5 9.088 2.902 -7.929 1.00 0.00 C ATOM 55 C ALA A 5 10.274 2.268 -7.210 1.00 0.00 C ATOM 56 O ALA A 5 11.421 2.540 -7.575 1.00 0.00 O ATOM 57 CB ALA A 5 8.755 2.181 -9.239 1.00 0.00 C ATOM 0 H ALA A 5 10.480 4.319 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 5 8.180 2.844 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.443 1.159 -9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.947 2.707 -9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.637 2.163 -9.879 1.00 0.00 H new ATOM 63 N GLU A 6 10.010 1.494 -6.159 1.00 0.00 N ATOM 64 CA GLU A 6 11.010 0.971 -5.241 1.00 0.00 C ATOM 65 C GLU A 6 10.602 -0.466 -4.907 1.00 0.00 C ATOM 66 O GLU A 6 9.428 -0.803 -5.078 1.00 0.00 O ATOM 67 CB GLU A 6 10.990 1.837 -3.966 1.00 0.00 C ATOM 68 CG GLU A 6 11.494 3.274 -4.175 1.00 0.00 C ATOM 69 CD GLU A 6 11.122 4.159 -2.985 1.00 0.00 C ATOM 70 OE1 GLU A 6 10.009 4.736 -3.000 1.00 0.00 O ATOM 71 OE2 GLU A 6 11.903 4.234 -2.013 1.00 0.00 O ATOM 0 H GLU A 6 9.061 1.206 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 6 12.012 0.989 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.971 1.873 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.602 1.356 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.576 3.269 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.064 3.686 -5.088 1.00 0.00 H new ATOM 78 N PRO A 7 11.509 -1.304 -4.373 1.00 0.00 N ATOM 79 CA PRO A 7 11.098 -2.525 -3.695 1.00 0.00 C ATOM 80 C PRO A 7 10.221 -2.139 -2.506 1.00 0.00 C ATOM 81 O PRO A 7 10.428 -1.115 -1.848 1.00 0.00 O ATOM 82 CB PRO A 7 12.395 -3.225 -3.281 1.00 0.00 C ATOM 83 CG PRO A 7 13.395 -2.078 -3.137 1.00 0.00 C ATOM 84 CD PRO A 7 12.929 -1.051 -4.171 1.00 0.00 C ATOM 0 HA PRO A 7 10.508 -3.199 -4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 7 12.274 -3.771 -2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 7 12.718 -3.946 -4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.385 -1.663 -2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 7 14.414 -2.410 -3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.098 -0.035 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.482 -1.158 -5.104 1.00 0.00 H new ATOM 92 N GLN A 8 9.252 -3.007 -2.232 1.00 0.00 N ATOM 93 CA GLN A 8 8.208 -2.914 -1.265 1.00 0.00 C ATOM 94 C GLN A 8 7.274 -1.711 -1.445 1.00 0.00 C ATOM 95 O GLN A 8 6.070 -1.913 -1.530 1.00 0.00 O ATOM 96 CB GLN A 8 8.801 -3.084 0.119 1.00 0.00 C ATOM 97 CG GLN A 8 9.665 -4.336 0.328 1.00 0.00 C ATOM 98 CD GLN A 8 9.006 -5.649 -0.093 1.00 0.00 C ATOM 99 OE1 GLN A 8 9.552 -6.377 -0.914 1.00 0.00 O ATOM 100 NE2 GLN A 8 7.845 -5.985 0.452 1.00 0.00 N ATOM 0 H GLN A 8 9.189 -3.883 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 8 7.511 -3.737 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.407 -2.206 0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.986 -3.103 0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.593 -4.217 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.934 -4.403 1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.404 -5.368 1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.393 -6.861 0.189 1.00 0.00 H new ATOM 109 N ARG A 9 7.773 -0.473 -1.420 1.00 0.00 N ATOM 110 CA ARG A 9 6.989 0.740 -1.289 1.00 0.00 C ATOM 111 C ARG A 9 6.015 1.010 -2.426 1.00 0.00 C ATOM 112 O ARG A 9 6.302 1.719 -3.402 1.00 0.00 O ATOM 113 CB ARG A 9 7.923 1.911 -1.089 1.00 0.00 C ATOM 114 CG ARG A 9 7.170 2.999 -0.398 1.00 0.00 C ATOM 115 CD ARG A 9 7.702 4.361 -0.706 1.00 0.00 C ATOM 116 NE ARG A 9 9.144 4.484 -0.441 1.00 0.00 N ATOM 117 CZ ARG A 9 9.881 4.170 0.644 1.00 0.00 C ATOM 118 NH1 ARG A 9 9.378 3.742 1.812 1.00 0.00 N ATOM 119 NH2 ARG A 9 11.203 4.264 0.534 1.00 0.00 N ATOM 0 H ARG A 9 8.774 -0.290 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 9 6.349 0.597 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.786 1.611 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.302 2.262 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.121 2.950 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.209 2.834 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.509 4.593 -1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.164 5.099 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 9 9.681 4.876 -1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.370 3.634 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.004 3.524 2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.621 4.564 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.798 4.036 1.330 1.00 0.00 H new ATOM 133 N HIS A 10 4.796 0.543 -2.217 1.00 0.00 N ATOM 134 CA HIS A 10 3.754 0.571 -3.238 1.00 0.00 C ATOM 135 C HIS A 10 2.595 1.410 -2.739 1.00 0.00 C ATOM 136 O HIS A 10 2.377 1.529 -1.538 1.00 0.00 O ATOM 137 CB HIS A 10 3.327 -0.847 -3.625 1.00 0.00 C ATOM 138 CG HIS A 10 4.452 -1.719 -4.135 1.00 0.00 C ATOM 139 ND1 HIS A 10 4.620 -3.051 -3.853 1.00 0.00 N ATOM 140 CD2 HIS A 10 5.551 -1.324 -4.853 1.00 0.00 C ATOM 141 CE1 HIS A 10 5.778 -3.448 -4.412 1.00 0.00 C ATOM 142 NE2 HIS A 10 6.375 -2.430 -5.046 1.00 0.00 N ATOM 0 H HIS A 10 4.497 0.132 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 10 4.140 1.030 -4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.876 -1.327 -2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.555 -0.785 -4.392 1.00 0.00 H new ATOM 0 HD1 HIS A 10 3.981 -3.636 -3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.745 -0.323 -5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.173 -4.452 -4.357 1.00 0.00 H new ATOM 150 N LYS A 11 1.887 2.044 -3.673 1.00 0.00 N ATOM 151 CA LYS A 11 0.839 3.003 -3.374 1.00 0.00 C ATOM 152 C LYS A 11 -0.413 2.496 -4.062 1.00 0.00 C ATOM 153 O LYS A 11 -0.704 2.826 -5.210 1.00 0.00 O ATOM 154 CB LYS A 11 1.250 4.420 -3.779 1.00 0.00 C ATOM 155 CG LYS A 11 2.266 5.038 -2.799 1.00 0.00 C ATOM 156 CD LYS A 11 3.760 4.645 -2.895 1.00 0.00 C ATOM 157 CE LYS A 11 4.377 4.772 -4.298 1.00 0.00 C ATOM 158 NZ LYS A 11 5.785 4.296 -4.349 1.00 0.00 N ATOM 0 H LYS A 11 2.032 1.899 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 11 0.648 3.083 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.681 4.399 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.364 5.053 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.206 6.121 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.931 4.800 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.329 5.269 -2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.871 3.615 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.778 4.200 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.338 5.814 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.126 4.324 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.381 4.911 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.835 3.320 -3.993 1.00 0.00 H new ATOM 172 N ILE A 12 -1.081 1.589 -3.360 1.00 0.00 N ATOM 173 CA ILE A 12 -2.211 0.830 -3.876 1.00 0.00 C ATOM 174 C ILE A 12 -3.462 1.637 -3.553 1.00 0.00 C ATOM 175 O ILE A 12 -3.970 1.601 -2.438 1.00 0.00 O ATOM 176 CB ILE A 12 -2.270 -0.617 -3.330 1.00 0.00 C ATOM 177 CG1 ILE A 12 -0.930 -1.365 -3.517 1.00 0.00 C ATOM 178 CG2 ILE A 12 -3.429 -1.346 -4.041 1.00 0.00 C ATOM 179 CD1 ILE A 12 -0.937 -2.780 -2.922 1.00 0.00 C ATOM 0 H ILE A 12 -0.846 1.356 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.114 0.694 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.447 -0.592 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.702 -1.427 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.131 -0.787 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.494 -2.371 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.365 -0.827 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.248 -1.356 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.033 -3.249 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.135 -2.724 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.714 -3.373 -3.404 1.00 0.00 H new ATOM 191 N LEU A 13 -3.945 2.404 -4.521 1.00 0.00 N ATOM 192 CA LEU A 13 -5.176 3.161 -4.405 1.00 0.00 C ATOM 193 C LEU A 13 -6.378 2.212 -4.416 1.00 0.00 C ATOM 194 O LEU A 13 -6.871 1.824 -5.473 1.00 0.00 O ATOM 195 CB LEU A 13 -5.216 4.240 -5.491 1.00 0.00 C ATOM 196 CG LEU A 13 -6.253 5.334 -5.165 1.00 0.00 C ATOM 197 CD1 LEU A 13 -5.612 6.693 -5.452 1.00 0.00 C ATOM 198 CD2 LEU A 13 -7.547 5.173 -5.971 1.00 0.00 C ATOM 0 H LEU A 13 -3.482 2.517 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.222 3.685 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.229 4.692 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.458 3.783 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.534 5.250 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.326 7.486 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.726 6.816 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.327 6.746 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.243 5.968 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.322 5.230 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.997 4.206 -5.747 1.00 0.00 H new ATOM 210 N CYS A 14 -6.816 1.813 -3.222 1.00 0.00 N ATOM 211 CA CYS A 14 -8.084 1.141 -3.002 1.00 0.00 C ATOM 212 C CYS A 14 -9.194 2.201 -2.959 1.00 0.00 C ATOM 213 O CYS A 14 -8.930 3.406 -2.877 1.00 0.00 O ATOM 214 CB CYS A 14 -7.976 0.351 -1.684 1.00 0.00 C ATOM 215 SG CYS A 14 -9.354 -0.808 -1.403 1.00 0.00 S ATOM 0 H CYS A 14 -6.282 1.954 -2.365 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.325 0.441 -3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.039 -0.206 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.931 1.055 -0.853 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.455 -0.139 -1.227 1.00 0.00 H new ATOM 221 N VAL A 15 -10.447 1.744 -2.934 1.00 0.00 N ATOM 222 CA VAL A 15 -11.587 2.570 -2.568 1.00 0.00 C ATOM 223 C VAL A 15 -12.308 1.947 -1.373 1.00 0.00 C ATOM 224 O VAL A 15 -12.203 0.746 -1.108 1.00 0.00 O ATOM 225 CB VAL A 15 -12.523 2.829 -3.769 1.00 0.00 C ATOM 226 CG1 VAL A 15 -11.841 3.726 -4.811 1.00 0.00 C ATOM 227 CG2 VAL A 15 -13.018 1.532 -4.430 1.00 0.00 C ATOM 0 H VAL A 15 -10.696 0.783 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.229 3.554 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.399 3.342 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.520 3.894 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.583 4.682 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.935 3.240 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.672 1.777 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.164 0.959 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.570 0.939 -3.700 1.00 0.00 H new ATOM 237 N CYS A 16 -13.038 2.788 -0.644 1.00 0.00 N ATOM 238 CA CYS A 16 -13.976 2.400 0.390 1.00 0.00 C ATOM 239 C CYS A 16 -15.247 1.892 -0.287 1.00 0.00 C ATOM 240 O CYS A 16 -16.011 2.689 -0.825 1.00 0.00 O ATOM 241 CB CYS A 16 -14.299 3.635 1.227 1.00 0.00 C ATOM 242 SG CYS A 16 -15.412 3.224 2.587 1.00 0.00 S ATOM 0 H CYS A 16 -12.985 3.799 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.560 1.620 1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.377 4.061 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.757 4.397 0.596 1.00 0.00 H new ATOM 0 HG CYS A 16 -16.124 4.267 2.896 1.00 0.00 H new ATOM 247 N CYS A 17 -15.498 0.586 -0.243 1.00 0.00 N ATOM 248 CA CYS A 17 -16.589 -0.069 -0.967 1.00 0.00 C ATOM 249 C CYS A 17 -18.009 0.423 -0.602 1.00 0.00 C ATOM 250 O CYS A 17 -18.964 -0.012 -1.244 1.00 0.00 O ATOM 251 CB CYS A 17 -16.442 -1.588 -0.777 1.00 0.00 C ATOM 252 SG CYS A 17 -17.443 -2.503 -1.981 1.00 0.00 S ATOM 0 H CYS A 17 -14.937 -0.063 0.309 1.00 0.00 H new ATOM 0 HA CYS A 17 -16.494 0.204 -2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -15.394 -1.870 -0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -16.745 -1.861 0.234 1.00 0.00 H new ATOM 0 HG CYS A 17 -18.537 -1.844 -2.226 1.00 0.00 H new ATOM 258 N LYS A 18 -18.185 1.318 0.386 1.00 0.00 N ATOM 259 CA LYS A 18 -19.477 1.892 0.744 1.00 0.00 C ATOM 260 C LYS A 18 -19.628 3.383 0.426 1.00 0.00 C ATOM 261 O LYS A 18 -20.767 3.838 0.362 1.00 0.00 O ATOM 262 CB LYS A 18 -19.826 1.571 2.200 1.00 0.00 C ATOM 263 CG LYS A 18 -18.724 1.793 3.249 1.00 0.00 C ATOM 264 CD LYS A 18 -19.257 1.813 4.695 1.00 0.00 C ATOM 265 CE LYS A 18 -20.325 0.742 4.965 1.00 0.00 C ATOM 266 NZ LYS A 18 -21.049 1.024 6.214 1.00 0.00 N ATOM 0 H LYS A 18 -17.417 1.663 0.962 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.207 1.409 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -20.688 2.175 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -20.137 0.528 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.978 1.004 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.219 2.736 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.425 1.668 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.677 2.796 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.028 0.706 4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.854 -0.239 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.809 0.326 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.391 0.968 7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.460 1.978 6.169 1.00 0.00 H new ATOM 280 N CYS A 19 -18.547 4.139 0.184 1.00 0.00 N ATOM 281 CA CYS A 19 -18.633 5.519 -0.277 1.00 0.00 C ATOM 282 C CYS A 19 -17.828 5.801 -1.553 1.00 0.00 C ATOM 283 O CYS A 19 -17.794 6.948 -1.992 1.00 0.00 O ATOM 284 CB CYS A 19 -18.185 6.428 0.861 1.00 0.00 C ATOM 285 SG CYS A 19 -16.440 6.317 1.331 1.00 0.00 S ATOM 0 H CYS A 19 -17.591 3.804 0.305 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.670 5.716 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.400 7.459 0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.791 6.203 1.738 1.00 0.00 H new ATOM 290 N ASP A 20 -17.156 4.789 -2.117 1.00 0.00 N ATOM 291 CA ASP A 20 -16.174 4.873 -3.202 1.00 0.00 C ATOM 292 C ASP A 20 -15.006 5.825 -2.880 1.00 0.00 C ATOM 293 O ASP A 20 -14.294 6.299 -3.762 1.00 0.00 O ATOM 294 CB ASP A 20 -16.887 5.164 -4.529 1.00 0.00 C ATOM 295 CG ASP A 20 -15.993 4.910 -5.747 1.00 0.00 C ATOM 296 OD1 ASP A 20 -15.337 3.843 -5.758 1.00 0.00 O ATOM 297 OD2 ASP A 20 -16.026 5.747 -6.676 1.00 0.00 O ATOM 0 H ASP A 20 -17.294 3.827 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.687 3.904 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.779 4.542 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.220 6.202 -4.538 1.00 0.00 H new ATOM 302 N GLY A 21 -14.790 6.115 -1.591 1.00 0.00 N ATOM 303 CA GLY A 21 -13.794 7.087 -1.165 1.00 0.00 C ATOM 304 C GLY A 21 -12.394 6.538 -1.377 1.00 0.00 C ATOM 305 O GLY A 21 -12.132 5.366 -1.124 1.00 0.00 O ATOM 0 H GLY A 21 -15.302 5.681 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.917 8.013 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.941 7.330 -0.113 1.00 0.00 H new ATOM 309 N ARG A 22 -11.501 7.418 -1.815 1.00 0.00 N ATOM 310 CA ARG A 22 -10.130 7.140 -2.225 1.00 0.00 C ATOM 311 C ARG A 22 -9.302 6.736 -1.011 1.00 0.00 C ATOM 312 O ARG A 22 -9.186 7.533 -0.080 1.00 0.00 O ATOM 313 CB ARG A 22 -9.594 8.414 -2.906 1.00 0.00 C ATOM 314 CG ARG A 22 -8.137 8.364 -3.394 1.00 0.00 C ATOM 315 CD ARG A 22 -7.098 8.802 -2.345 1.00 0.00 C ATOM 316 NE ARG A 22 -5.880 9.366 -2.968 1.00 0.00 N ATOM 317 CZ ARG A 22 -5.686 10.628 -3.373 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.648 11.548 -3.272 1.00 0.00 N ATOM 319 NH2 ARG A 22 -4.504 10.956 -3.882 1.00 0.00 N ATOM 0 H ARG A 22 -11.730 8.408 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.075 6.309 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.233 8.640 -3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.692 9.243 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.908 7.347 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.039 9.002 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.543 9.545 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.825 7.947 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.101 8.722 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.555 11.296 -2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.476 12.503 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.768 10.253 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.332 11.911 -4.197 1.00 0.00 H new ATOM 333 N ILE A 23 -8.689 5.546 -1.037 1.00 0.00 N ATOM 334 CA ILE A 23 -7.789 5.092 0.016 1.00 0.00 C ATOM 335 C ILE A 23 -6.441 4.735 -0.617 1.00 0.00 C ATOM 336 O ILE A 23 -6.276 3.660 -1.191 1.00 0.00 O ATOM 337 CB ILE A 23 -8.359 3.914 0.842 1.00 0.00 C ATOM 338 CG1 ILE A 23 -9.878 3.983 1.100 1.00 0.00 C ATOM 339 CG2 ILE A 23 -7.585 3.899 2.171 1.00 0.00 C ATOM 340 CD1 ILE A 23 -10.430 2.727 1.781 1.00 0.00 C ATOM 0 H ILE A 23 -8.808 4.873 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.664 5.904 0.732 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.228 2.996 0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.096 4.851 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.395 4.132 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.949 3.083 2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.523 3.757 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.734 4.846 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.503 2.838 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.242 1.858 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.938 2.589 2.744 1.00 0.00 H new ATOM 352 N GLU A 24 -5.476 5.650 -0.538 1.00 0.00 N ATOM 353 CA GLU A 24 -4.148 5.455 -1.103 1.00 0.00 C ATOM 354 C GLU A 24 -3.290 4.649 -0.127 1.00 0.00 C ATOM 355 O GLU A 24 -2.696 5.198 0.801 1.00 0.00 O ATOM 356 CB GLU A 24 -3.567 6.821 -1.478 1.00 0.00 C ATOM 357 CG GLU A 24 -2.457 6.711 -2.532 1.00 0.00 C ATOM 358 CD GLU A 24 -2.213 8.063 -3.211 1.00 0.00 C ATOM 359 OE1 GLU A 24 -3.220 8.679 -3.640 1.00 0.00 O ATOM 360 OE2 GLU A 24 -1.039 8.478 -3.297 1.00 0.00 O ATOM 0 H GLU A 24 -5.597 6.552 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.182 4.869 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.364 7.461 -1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.170 7.303 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.537 6.364 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.733 5.968 -3.280 1.00 0.00 H new ATOM 367 N LEU A 25 -3.282 3.323 -0.296 1.00 0.00 N ATOM 368 CA LEU A 25 -2.574 2.411 0.586 1.00 0.00 C ATOM 369 C LEU A 25 -1.084 2.469 0.248 1.00 0.00 C ATOM 370 O LEU A 25 -0.605 1.713 -0.598 1.00 0.00 O ATOM 371 CB LEU A 25 -3.120 0.971 0.486 1.00 0.00 C ATOM 372 CG LEU A 25 -4.652 0.827 0.533 1.00 0.00 C ATOM 373 CD1 LEU A 25 -5.032 -0.635 0.290 1.00 0.00 C ATOM 374 CD2 LEU A 25 -5.218 1.268 1.886 1.00 0.00 C ATOM 0 H LEU A 25 -3.773 2.856 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.728 2.721 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.762 0.531 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.694 0.385 1.300 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.073 1.468 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.116 -0.739 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.667 -0.948 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.584 -1.261 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.302 1.152 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.790 0.653 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.965 2.313 2.063 1.00 0.00 H new ATOM 386 N THR A 26 -0.348 3.377 0.888 1.00 0.00 N ATOM 387 CA THR A 26 1.108 3.324 0.943 1.00 0.00 C ATOM 388 C THR A 26 1.491 2.097 1.778 1.00 0.00 C ATOM 389 O THR A 26 1.424 2.151 3.006 1.00 0.00 O ATOM 390 CB THR A 26 1.667 4.634 1.520 1.00 0.00 C ATOM 391 OG1 THR A 26 1.162 5.720 0.769 1.00 0.00 O ATOM 392 CG2 THR A 26 3.198 4.684 1.458 1.00 0.00 C ATOM 0 H THR A 26 -0.749 4.173 1.384 1.00 0.00 H new ATOM 0 HA THR A 26 1.542 3.224 -0.052 1.00 0.00 H new ATOM 0 HB THR A 26 1.361 4.691 2.565 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.513 6.560 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.548 5.627 1.876 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.613 3.856 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.523 4.604 0.421 1.00 0.00 H new ATOM 400 N VAL A 27 1.816 0.978 1.122 1.00 0.00 N ATOM 401 CA VAL A 27 2.129 -0.289 1.769 1.00 0.00 C ATOM 402 C VAL A 27 3.382 -0.903 1.148 1.00 0.00 C ATOM 403 O VAL A 27 3.492 -1.087 -0.072 1.00 0.00 O ATOM 404 CB VAL A 27 0.921 -1.255 1.780 1.00 0.00 C ATOM 405 CG1 VAL A 27 -0.178 -0.715 2.706 1.00 0.00 C ATOM 406 CG2 VAL A 27 0.308 -1.564 0.403 1.00 0.00 C ATOM 0 H VAL A 27 1.868 0.933 0.104 1.00 0.00 H new ATOM 0 HA VAL A 27 2.347 -0.094 2.819 1.00 0.00 H new ATOM 0 HB VAL A 27 1.327 -2.199 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.024 -1.403 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.214 -0.621 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.505 0.262 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.531 -2.250 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.042 -0.639 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.062 -2.023 -0.236 1.00 0.00 H new ATOM 416 N GLU A 28 4.327 -1.239 2.026 1.00 0.00 N ATOM 417 CA GLU A 28 5.598 -1.831 1.673 1.00 0.00 C ATOM 418 C GLU A 28 5.356 -3.334 1.537 1.00 0.00 C ATOM 419 O GLU A 28 5.390 -4.087 2.508 1.00 0.00 O ATOM 420 CB GLU A 28 6.709 -1.415 2.651 1.00 0.00 C ATOM 421 CG GLU A 28 7.481 -0.175 2.177 1.00 0.00 C ATOM 422 CD GLU A 28 6.794 1.180 2.391 1.00 0.00 C ATOM 423 OE1 GLU A 28 5.644 1.343 1.931 1.00 0.00 O ATOM 424 OE2 GLU A 28 7.492 2.109 2.868 1.00 0.00 O ATOM 0 H GLU A 28 4.217 -1.099 3.030 1.00 0.00 H new ATOM 0 HA GLU A 28 5.978 -1.465 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.271 -1.213 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.405 -2.244 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.443 -0.155 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.689 -0.288 1.113 1.00 0.00 H new ATOM 431 N SER A 29 5.059 -3.743 0.307 1.00 0.00 N ATOM 432 CA SER A 29 4.381 -4.973 -0.074 1.00 0.00 C ATOM 433 C SER A 29 5.172 -5.625 -1.209 1.00 0.00 C ATOM 434 O SER A 29 5.744 -4.914 -2.018 1.00 0.00 O ATOM 435 CB SER A 29 2.958 -4.575 -0.498 1.00 0.00 C ATOM 436 OG SER A 29 2.964 -3.470 -1.396 1.00 0.00 O ATOM 0 H SER A 29 5.305 -3.180 -0.507 1.00 0.00 H new ATOM 0 HA SER A 29 4.319 -5.699 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.468 -5.426 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.373 -4.322 0.386 1.00 0.00 H new ATOM 0 HG SER A 29 3.135 -2.644 -0.897 1.00 0.00 H new ATOM 442 N SER A 30 5.291 -6.949 -1.277 1.00 0.00 N ATOM 443 CA SER A 30 6.368 -7.571 -2.046 1.00 0.00 C ATOM 444 C SER A 30 6.029 -7.690 -3.532 1.00 0.00 C ATOM 445 O SER A 30 6.473 -6.884 -4.345 1.00 0.00 O ATOM 446 CB SER A 30 6.765 -8.900 -1.394 1.00 0.00 C ATOM 447 OG SER A 30 7.075 -8.687 -0.028 1.00 0.00 O ATOM 0 H SER A 30 4.663 -7.606 -0.815 1.00 0.00 H new ATOM 0 HA SER A 30 7.243 -6.921 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.950 -9.618 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.625 -9.327 -1.910 1.00 0.00 H new ATOM 0 HG SER A 30 7.327 -9.538 0.387 1.00 0.00 H new ATOM 453 N ALA A 31 5.273 -8.724 -3.894 1.00 0.00 N ATOM 454 CA ALA A 31 4.907 -9.050 -5.262 1.00 0.00 C ATOM 455 C ALA A 31 3.781 -10.052 -5.183 1.00 0.00 C ATOM 456 O ALA A 31 2.668 -9.794 -5.617 1.00 0.00 O ATOM 457 CB ALA A 31 6.087 -9.713 -5.993 1.00 0.00 C ATOM 0 H ALA A 31 4.886 -9.379 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 31 4.624 -8.146 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.794 -9.950 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.936 -9.030 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.368 -10.630 -5.474 1.00 0.00 H new ATOM 463 N GLU A 32 4.093 -11.193 -4.577 1.00 0.00 N ATOM 464 CA GLU A 32 3.184 -12.291 -4.361 1.00 0.00 C ATOM 465 C GLU A 32 2.163 -11.892 -3.291 1.00 0.00 C ATOM 466 O GLU A 32 0.966 -12.135 -3.448 1.00 0.00 O ATOM 467 CB GLU A 32 4.058 -13.476 -3.948 1.00 0.00 C ATOM 468 CG GLU A 32 3.238 -14.754 -3.868 1.00 0.00 C ATOM 469 CD GLU A 32 4.090 -15.931 -3.385 1.00 0.00 C ATOM 470 OE1 GLU A 32 4.367 -15.969 -2.165 1.00 0.00 O ATOM 471 OE2 GLU A 32 4.468 -16.757 -4.245 1.00 0.00 O ATOM 0 H GLU A 32 5.027 -11.376 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 32 2.606 -12.558 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.868 -13.603 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.519 -13.274 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.398 -14.608 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.820 -14.983 -4.848 1.00 0.00 H new ATOM 478 N ASP A 33 2.638 -11.208 -2.243 1.00 0.00 N ATOM 479 CA ASP A 33 1.821 -10.582 -1.216 1.00 0.00 C ATOM 480 C ASP A 33 0.945 -9.487 -1.839 1.00 0.00 C ATOM 481 O ASP A 33 -0.275 -9.508 -1.663 1.00 0.00 O ATOM 482 CB ASP A 33 2.760 -10.082 -0.103 1.00 0.00 C ATOM 483 CG ASP A 33 2.375 -8.716 0.456 1.00 0.00 C ATOM 484 OD1 ASP A 33 1.447 -8.655 1.286 1.00 0.00 O ATOM 485 OD2 ASP A 33 3.036 -7.752 0.012 1.00 0.00 O ATOM 0 H ASP A 33 3.637 -11.075 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 33 1.124 -11.287 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.765 -10.809 0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.777 -10.032 -0.493 1.00 0.00 H new ATOM 490 N LEU A 34 1.545 -8.594 -2.645 1.00 0.00 N ATOM 491 CA LEU A 34 0.819 -7.525 -3.330 1.00 0.00 C ATOM 492 C LEU A 34 -0.265 -8.115 -4.225 1.00 0.00 C ATOM 493 O LEU A 34 -1.402 -7.651 -4.211 1.00 0.00 O ATOM 494 CB LEU A 34 1.777 -6.619 -4.126 1.00 0.00 C ATOM 495 CG LEU A 34 1.030 -5.550 -4.967 1.00 0.00 C ATOM 496 CD1 LEU A 34 1.818 -4.237 -4.987 1.00 0.00 C ATOM 497 CD2 LEU A 34 0.823 -5.978 -6.431 1.00 0.00 C ATOM 0 H LEU A 34 2.547 -8.598 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 34 0.338 -6.899 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.458 -6.121 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.387 -7.234 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 34 0.058 -5.426 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.280 -3.499 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.935 -3.867 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.801 -4.409 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.296 -5.190 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.792 -6.152 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.235 -6.895 -6.462 1.00 0.00 H new ATOM 509 N ARG A 35 0.081 -9.139 -5.007 1.00 0.00 N ATOM 510 CA ARG A 35 -0.852 -9.814 -5.888 1.00 0.00 C ATOM 511 C ARG A 35 -1.968 -10.380 -5.041 1.00 0.00 C ATOM 512 O ARG A 35 -3.126 -10.078 -5.300 1.00 0.00 O ATOM 513 CB ARG A 35 -0.145 -10.907 -6.700 1.00 0.00 C ATOM 514 CG ARG A 35 -1.081 -11.460 -7.782 1.00 0.00 C ATOM 515 CD ARG A 35 -0.353 -12.414 -8.735 1.00 0.00 C ATOM 516 NE ARG A 35 -1.262 -12.923 -9.779 1.00 0.00 N ATOM 517 CZ ARG A 35 -1.705 -12.253 -10.856 1.00 0.00 C ATOM 518 NH1 ARG A 35 -1.296 -11.008 -11.104 1.00 0.00 N ATOM 519 NH2 ARG A 35 -2.564 -12.837 -11.691 1.00 0.00 N ATOM 0 H ARG A 35 1.026 -9.520 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.266 -9.111 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.755 -10.501 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.172 -11.713 -6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.912 -11.983 -7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.506 -10.633 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.486 -11.897 -9.200 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.061 -13.250 -8.171 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.588 -13.884 -9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.638 -10.552 -10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.641 -10.512 -11.926 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.883 -13.789 -11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.903 -12.332 -12.510 1.00 0.00 H new ATOM 533 N THR A 36 -1.640 -11.188 -4.043 1.00 0.00 N ATOM 534 CA THR A 36 -2.639 -11.889 -3.255 1.00 0.00 C ATOM 535 C THR A 36 -3.602 -10.893 -2.601 1.00 0.00 C ATOM 536 O THR A 36 -4.820 -11.056 -2.733 1.00 0.00 O ATOM 537 CB THR A 36 -1.946 -12.801 -2.228 1.00 0.00 C ATOM 538 OG1 THR A 36 -1.010 -13.636 -2.880 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.941 -13.705 -1.493 1.00 0.00 C ATOM 0 H THR A 36 -0.678 -11.374 -3.759 1.00 0.00 H new ATOM 0 HA THR A 36 -3.239 -12.525 -3.905 1.00 0.00 H new ATOM 0 HB THR A 36 -1.459 -12.147 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.128 -13.208 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.405 -14.330 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.668 -13.090 -0.963 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.458 -14.339 -2.214 1.00 0.00 H new ATOM 547 N LEU A 37 -3.084 -9.833 -1.960 1.00 0.00 N ATOM 548 CA LEU A 37 -3.957 -8.842 -1.337 1.00 0.00 C ATOM 549 C LEU A 37 -4.780 -8.101 -2.396 1.00 0.00 C ATOM 550 O LEU A 37 -5.956 -7.826 -2.160 1.00 0.00 O ATOM 551 CB LEU A 37 -3.189 -7.926 -0.358 1.00 0.00 C ATOM 552 CG LEU A 37 -2.463 -6.698 -0.952 1.00 0.00 C ATOM 553 CD1 LEU A 37 -3.376 -5.462 -1.031 1.00 0.00 C ATOM 554 CD2 LEU A 37 -1.239 -6.328 -0.102 1.00 0.00 C ATOM 0 H LEU A 37 -2.086 -9.647 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.682 -9.359 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.894 -7.569 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.450 -8.535 0.163 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.161 -6.982 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.820 -4.626 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.235 -5.684 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.720 -5.199 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.742 -5.461 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.559 -6.091 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.546 -7.169 -0.077 1.00 0.00 H new ATOM 566 N GLN A 38 -4.215 -7.847 -3.587 1.00 0.00 N ATOM 567 CA GLN A 38 -4.936 -7.245 -4.697 1.00 0.00 C ATOM 568 C GLN A 38 -6.093 -8.166 -5.097 1.00 0.00 C ATOM 569 O GLN A 38 -7.198 -7.671 -5.302 1.00 0.00 O ATOM 570 CB GLN A 38 -3.950 -6.961 -5.843 1.00 0.00 C ATOM 571 CG GLN A 38 -4.549 -6.643 -7.220 1.00 0.00 C ATOM 572 CD GLN A 38 -3.480 -6.865 -8.286 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.498 -7.864 -9.002 1.00 0.00 O ATOM 574 NE2 GLN A 38 -2.488 -5.988 -8.355 1.00 0.00 N ATOM 0 H GLN A 38 -3.240 -8.058 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.376 -6.288 -4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.320 -6.122 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.298 -7.828 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.412 -7.281 -7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.902 -5.612 -7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.492 -5.165 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.721 -6.136 -9.011 1.00 0.00 H new ATOM 583 N GLN A 39 -5.877 -9.489 -5.177 1.00 0.00 N ATOM 584 CA GLN A 39 -6.926 -10.419 -5.577 1.00 0.00 C ATOM 585 C GLN A 39 -8.072 -10.352 -4.574 1.00 0.00 C ATOM 586 O GLN A 39 -9.227 -10.237 -4.975 1.00 0.00 O ATOM 587 CB GLN A 39 -6.452 -11.870 -5.696 1.00 0.00 C ATOM 588 CG GLN A 39 -5.215 -12.124 -6.562 1.00 0.00 C ATOM 589 CD GLN A 39 -5.098 -11.261 -7.821 1.00 0.00 C ATOM 590 OE1 GLN A 39 -5.723 -11.522 -8.841 1.00 0.00 O ATOM 591 NE2 GLN A 39 -4.259 -10.238 -7.752 1.00 0.00 N ATOM 0 H GLN A 39 -4.982 -9.931 -4.968 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.249 -10.110 -6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.247 -12.244 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.274 -12.464 -6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.327 -11.964 -5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.212 -13.172 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.755 -10.050 -6.886 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.117 -9.639 -8.565 1.00 0.00 H new ATOM 600 N LEU A 40 -7.756 -10.400 -3.273 1.00 0.00 N ATOM 601 CA LEU A 40 -8.764 -10.340 -2.220 1.00 0.00 C ATOM 602 C LEU A 40 -9.551 -9.031 -2.279 1.00 0.00 C ATOM 603 O LEU A 40 -10.779 -9.062 -2.152 1.00 0.00 O ATOM 604 CB LEU A 40 -8.113 -10.510 -0.837 1.00 0.00 C ATOM 605 CG LEU A 40 -7.509 -11.907 -0.594 1.00 0.00 C ATOM 606 CD1 LEU A 40 -6.749 -11.899 0.736 1.00 0.00 C ATOM 607 CD2 LEU A 40 -8.581 -13.006 -0.568 1.00 0.00 C ATOM 0 H LEU A 40 -6.799 -10.481 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.462 -11.161 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.329 -9.762 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.860 -10.310 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.834 -12.130 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.319 -12.884 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.952 -11.157 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.435 -11.650 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.107 -13.972 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.293 -12.801 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.105 -13.026 -1.524 1.00 0.00 H new ATOM 619 N PHE A 41 -8.853 -7.902 -2.472 1.00 0.00 N ATOM 620 CA PHE A 41 -9.453 -6.571 -2.455 1.00 0.00 C ATOM 621 C PHE A 41 -10.247 -6.311 -3.746 1.00 0.00 C ATOM 622 O PHE A 41 -11.170 -5.500 -3.743 1.00 0.00 O ATOM 623 CB PHE A 41 -8.385 -5.478 -2.243 1.00 0.00 C ATOM 624 CG PHE A 41 -7.742 -5.329 -0.859 1.00 0.00 C ATOM 625 CD1 PHE A 41 -7.615 -6.408 0.044 1.00 0.00 C ATOM 626 CD2 PHE A 41 -7.203 -4.079 -0.487 1.00 0.00 C ATOM 627 CE1 PHE A 41 -6.916 -6.262 1.255 1.00 0.00 C ATOM 628 CE2 PHE A 41 -6.515 -3.932 0.730 1.00 0.00 C ATOM 629 CZ PHE A 41 -6.357 -5.024 1.596 1.00 0.00 C ATOM 0 H PHE A 41 -7.848 -7.893 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.145 -6.531 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.584 -5.656 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.838 -4.521 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.062 -7.360 -0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.320 -3.229 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.810 -7.105 1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.105 -2.970 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.808 -4.911 2.519 1.00 0.00 H new ATOM 639 N LEU A 42 -9.912 -6.999 -4.847 1.00 0.00 N ATOM 640 CA LEU A 42 -10.717 -7.009 -6.067 1.00 0.00 C ATOM 641 C LEU A 42 -11.920 -7.948 -5.925 1.00 0.00 C ATOM 642 O LEU A 42 -12.980 -7.662 -6.475 1.00 0.00 O ATOM 643 CB LEU A 42 -9.856 -7.471 -7.257 1.00 0.00 C ATOM 644 CG LEU A 42 -8.872 -6.416 -7.800 1.00 0.00 C ATOM 645 CD1 LEU A 42 -7.951 -7.079 -8.833 1.00 0.00 C ATOM 646 CD2 LEU A 42 -9.587 -5.229 -8.462 1.00 0.00 C ATOM 0 H LEU A 42 -9.067 -7.567 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.080 -5.996 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.290 -8.352 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.518 -7.779 -8.067 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.305 -6.029 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.251 -6.340 -9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.397 -7.889 -8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.550 -7.479 -9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.847 -4.516 -8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.189 -5.587 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.233 -4.740 -7.732 1.00 0.00 H new ATOM 658 N SER A 43 -11.744 -9.080 -5.236 1.00 0.00 N ATOM 659 CA SER A 43 -12.732 -10.141 -5.116 1.00 0.00 C ATOM 660 C SER A 43 -13.928 -9.704 -4.278 1.00 0.00 C ATOM 661 O SER A 43 -15.056 -9.669 -4.768 1.00 0.00 O ATOM 662 CB SER A 43 -12.056 -11.370 -4.479 1.00 0.00 C ATOM 663 OG SER A 43 -12.983 -12.380 -4.115 1.00 0.00 O ATOM 0 H SER A 43 -10.880 -9.283 -4.733 1.00 0.00 H new ATOM 0 HA SER A 43 -13.108 -10.387 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.331 -11.784 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.501 -11.056 -3.595 1.00 0.00 H new ATOM 0 HG SER A 43 -12.503 -13.137 -3.718 1.00 0.00 H new ATOM 669 N THR A 44 -13.679 -9.493 -2.986 1.00 0.00 N ATOM 670 CA THR A 44 -14.698 -9.519 -1.958 1.00 0.00 C ATOM 671 C THR A 44 -14.337 -8.681 -0.734 1.00 0.00 C ATOM 672 O THR A 44 -15.203 -8.004 -0.179 1.00 0.00 O ATOM 673 CB THR A 44 -14.960 -10.981 -1.524 1.00 0.00 C ATOM 674 OG1 THR A 44 -13.777 -11.769 -1.555 1.00 0.00 O ATOM 675 CG2 THR A 44 -16.020 -11.676 -2.380 1.00 0.00 C ATOM 0 H THR A 44 -12.745 -9.297 -2.627 1.00 0.00 H new ATOM 0 HA THR A 44 -15.596 -9.079 -2.391 1.00 0.00 H new ATOM 0 HB THR A 44 -15.326 -10.905 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.536 -11.961 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.160 -12.698 -2.027 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.962 -11.134 -2.303 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.694 -11.692 -3.420 1.00 0.00 H new ATOM 683 N LEU A 45 -13.078 -8.737 -0.293 1.00 0.00 N ATOM 684 CA LEU A 45 -12.606 -7.920 0.815 1.00 0.00 C ATOM 685 C LEU A 45 -12.558 -6.460 0.354 1.00 0.00 C ATOM 686 O LEU A 45 -12.313 -6.182 -0.815 1.00 0.00 O ATOM 687 CB LEU A 45 -11.228 -8.448 1.254 1.00 0.00 C ATOM 688 CG LEU A 45 -10.605 -7.768 2.488 1.00 0.00 C ATOM 689 CD1 LEU A 45 -11.513 -7.807 3.726 1.00 0.00 C ATOM 690 CD2 LEU A 45 -9.292 -8.486 2.829 1.00 0.00 C ATOM 0 H LEU A 45 -12.366 -9.347 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.273 -7.974 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.318 -9.515 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.537 -8.341 0.418 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.448 -6.720 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.014 -7.311 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.449 -7.294 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.721 -8.843 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.837 -8.017 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.496 -9.534 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.609 -8.417 1.982 1.00 0.00 H new ATOM 702 N SER A 46 -12.755 -5.508 1.265 1.00 0.00 N ATOM 703 CA SER A 46 -12.473 -4.109 1.045 1.00 0.00 C ATOM 704 C SER A 46 -11.945 -3.500 2.336 1.00 0.00 C ATOM 705 O SER A 46 -12.006 -4.130 3.395 1.00 0.00 O ATOM 706 CB SER A 46 -13.734 -3.420 0.544 1.00 0.00 C ATOM 707 OG SER A 46 -14.851 -3.641 1.380 1.00 0.00 O ATOM 0 H SER A 46 -13.124 -5.703 2.196 1.00 0.00 H new ATOM 0 HA SER A 46 -11.705 -3.977 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.550 -2.348 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.962 -3.777 -0.460 1.00 0.00 H new ATOM 0 HG SER A 46 -15.650 -3.780 0.829 1.00 0.00 H new ATOM 713 N PHE A 47 -11.393 -2.290 2.229 1.00 0.00 N ATOM 714 CA PHE A 47 -10.529 -1.748 3.271 1.00 0.00 C ATOM 715 C PHE A 47 -11.269 -0.848 4.268 1.00 0.00 C ATOM 716 O PHE A 47 -10.894 -0.824 5.435 1.00 0.00 O ATOM 717 CB PHE A 47 -9.362 -1.012 2.604 1.00 0.00 C ATOM 718 CG PHE A 47 -8.121 -0.946 3.469 1.00 0.00 C ATOM 719 CD1 PHE A 47 -7.280 -2.070 3.583 1.00 0.00 C ATOM 720 CD2 PHE A 47 -7.819 0.228 4.181 1.00 0.00 C ATOM 721 CE1 PHE A 47 -6.129 -2.009 4.388 1.00 0.00 C ATOM 722 CE2 PHE A 47 -6.670 0.288 4.990 1.00 0.00 C ATOM 723 CZ PHE A 47 -5.823 -0.829 5.090 1.00 0.00 C ATOM 0 H PHE A 47 -11.531 -1.670 1.431 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.154 -2.579 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.116 -1.510 1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.676 0.001 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.519 -2.979 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.471 1.086 4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.480 -2.868 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.439 1.192 5.534 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.937 -0.781 5.706 1.00 0.00 H new ATOM 733 N VAL A 48 -12.330 -0.162 3.810 1.00 0.00 N ATOM 734 CA VAL A 48 -13.147 0.822 4.532 1.00 0.00 C ATOM 735 C VAL A 48 -12.316 2.037 4.986 1.00 0.00 C ATOM 736 O VAL A 48 -11.426 1.937 5.828 1.00 0.00 O ATOM 737 CB VAL A 48 -13.958 0.163 5.675 1.00 0.00 C ATOM 738 CG1 VAL A 48 -14.928 1.171 6.317 1.00 0.00 C ATOM 739 CG2 VAL A 48 -14.787 -1.030 5.164 1.00 0.00 C ATOM 0 H VAL A 48 -12.662 -0.292 2.854 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.885 1.218 3.834 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.231 -0.182 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.485 0.682 7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -14.364 2.008 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.624 1.538 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.343 -1.468 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.485 -0.688 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.121 -1.780 4.737 1.00 0.00 H new ATOM 749 N CYS A 49 -12.596 3.217 4.416 1.00 0.00 N ATOM 750 CA CYS A 49 -11.905 4.442 4.811 1.00 0.00 C ATOM 751 C CYS A 49 -12.265 4.816 6.261 1.00 0.00 C ATOM 752 O CYS A 49 -13.380 4.523 6.705 1.00 0.00 O ATOM 753 CB CYS A 49 -12.258 5.578 3.841 1.00 0.00 C ATOM 754 SG CYS A 49 -14.001 6.064 3.799 1.00 0.00 S ATOM 0 H CYS A 49 -13.294 3.344 3.683 1.00 0.00 H new ATOM 0 HA CYS A 49 -10.829 4.276 4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.663 6.453 4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.959 5.279 2.836 1.00 0.00 H new ATOM 759 N PRO A 50 -11.392 5.539 6.991 1.00 0.00 N ATOM 760 CA PRO A 50 -11.657 5.920 8.377 1.00 0.00 C ATOM 761 C PRO A 50 -12.864 6.859 8.513 1.00 0.00 C ATOM 762 O PRO A 50 -13.521 6.867 9.555 1.00 0.00 O ATOM 763 CB PRO A 50 -10.363 6.555 8.896 1.00 0.00 C ATOM 764 CG PRO A 50 -9.650 7.022 7.628 1.00 0.00 C ATOM 765 CD PRO A 50 -10.063 5.978 6.592 1.00 0.00 C ATOM 0 HA PRO A 50 -11.930 5.048 8.971 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.568 7.388 9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.760 5.837 9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.962 8.025 7.336 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.569 7.051 7.761 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.075 6.404 5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.362 5.143 6.575 1.00 0.00 H new ATOM 773 N TRP A 51 -13.205 7.604 7.454 1.00 0.00 N ATOM 774 CA TRP A 51 -14.439 8.372 7.385 1.00 0.00 C ATOM 775 C TRP A 51 -15.650 7.451 7.545 1.00 0.00 C ATOM 776 O TRP A 51 -16.476 7.673 8.430 1.00 0.00 O ATOM 777 CB TRP A 51 -14.493 9.173 6.083 1.00 0.00 C ATOM 778 CG TRP A 51 -15.659 10.101 6.036 1.00 0.00 C ATOM 779 CD1 TRP A 51 -16.756 9.955 5.262 1.00 0.00 C ATOM 780 CD2 TRP A 51 -15.910 11.264 6.879 1.00 0.00 C ATOM 781 NE1 TRP A 51 -17.663 10.948 5.568 1.00 0.00 N ATOM 782 CE2 TRP A 51 -17.198 11.782 6.562 1.00 0.00 C ATOM 783 CE3 TRP A 51 -15.195 11.901 7.916 1.00 0.00 C ATOM 784 CZ2 TRP A 51 -17.755 12.873 7.245 1.00 0.00 C ATOM 785 CZ3 TRP A 51 -15.738 13.005 8.600 1.00 0.00 C ATOM 786 CH2 TRP A 51 -17.015 13.491 8.267 1.00 0.00 C ATOM 0 H TRP A 51 -12.624 7.686 6.620 1.00 0.00 H new ATOM 0 HA TRP A 51 -14.464 9.086 8.208 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -13.572 9.745 5.973 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -14.544 8.486 5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -16.900 9.183 4.521 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -18.570 11.053 5.113 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -14.216 11.536 8.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -18.740 13.234 6.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -15.170 13.482 9.385 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -17.426 14.338 8.796 1.00 0.00 H new ATOM 797 N CYS A 52 -15.744 6.395 6.733 1.00 0.00 N ATOM 798 CA CYS A 52 -16.804 5.405 6.862 1.00 0.00 C ATOM 799 C CYS A 52 -16.679 4.613 8.157 1.00 0.00 C ATOM 800 O CYS A 52 -17.705 4.363 8.773 1.00 0.00 O ATOM 801 CB CYS A 52 -16.832 4.492 5.642 1.00 0.00 C ATOM 802 SG CYS A 52 -17.604 5.306 4.233 1.00 0.00 S ATOM 0 H CYS A 52 -15.089 6.207 5.974 1.00 0.00 H new ATOM 0 HA CYS A 52 -17.756 5.933 6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.815 4.197 5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -17.377 3.579 5.881 1.00 0.00 H new ATOM 807 N ALA A 53 -15.471 4.292 8.633 1.00 0.00 N ATOM 808 CA ALA A 53 -15.321 3.670 9.950 1.00 0.00 C ATOM 809 C ALA A 53 -15.887 4.556 11.075 1.00 0.00 C ATOM 810 O ALA A 53 -16.344 4.034 12.088 1.00 0.00 O ATOM 811 CB ALA A 53 -13.852 3.332 10.217 1.00 0.00 C ATOM 0 H ALA A 53 -14.596 4.450 8.134 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.901 2.747 9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.758 2.870 11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.494 2.640 9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.257 4.245 10.186 1.00 0.00 H new ATOM 817 N THR A 54 -15.873 5.883 10.893 1.00 0.00 N ATOM 818 CA THR A 54 -16.431 6.853 11.831 1.00 0.00 C ATOM 819 C THR A 54 -17.952 7.003 11.642 1.00 0.00 C ATOM 820 O THR A 54 -18.679 7.075 12.629 1.00 0.00 O ATOM 821 CB THR A 54 -15.706 8.204 11.655 1.00 0.00 C ATOM 822 OG1 THR A 54 -14.301 8.032 11.706 1.00 0.00 O ATOM 823 CG2 THR A 54 -16.081 9.217 12.740 1.00 0.00 C ATOM 0 H THR A 54 -15.462 6.318 10.067 1.00 0.00 H new ATOM 0 HA THR A 54 -16.274 6.496 12.849 1.00 0.00 H new ATOM 0 HB THR A 54 -16.020 8.584 10.683 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.994 7.600 10.881 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.543 10.149 12.569 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.154 9.406 12.706 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.813 8.818 13.718 1.00 0.00 H new ATOM 831 N ASN A 55 -18.434 7.091 10.394 1.00 0.00 N ATOM 832 CA ASN A 55 -19.839 7.395 10.085 1.00 0.00 C ATOM 833 C ASN A 55 -20.728 6.155 10.181 1.00 0.00 C ATOM 834 O ASN A 55 -21.845 6.266 10.684 1.00 0.00 O ATOM 835 CB ASN A 55 -19.977 8.011 8.683 1.00 0.00 C ATOM 836 CG ASN A 55 -19.552 9.474 8.657 1.00 0.00 C ATOM 837 OD1 ASN A 55 -20.378 10.374 8.585 1.00 0.00 O ATOM 838 ND2 ASN A 55 -18.258 9.739 8.714 1.00 0.00 N ATOM 0 H ASN A 55 -17.856 6.952 9.565 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.171 8.116 10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.370 7.445 7.977 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.012 7.928 8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.934 10.706 8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.583 8.976 8.774 1.00 0.00 H new ATOM 845 N GLN A 56 -20.207 5.022 9.694 1.00 0.00 N ATOM 846 CA GLN A 56 -20.622 3.623 9.711 1.00 0.00 C ATOM 847 C GLN A 56 -20.384 2.940 8.373 1.00 0.00 C ATOM 848 O GLN A 56 -19.873 1.794 8.417 1.00 0.00 O ATOM 849 CB GLN A 56 -22.050 3.433 10.221 1.00 0.00 C ATOM 850 CG GLN A 56 -22.570 1.986 10.223 1.00 0.00 C ATOM 851 CD GLN A 56 -21.788 1.046 11.146 1.00 0.00 C ATOM 852 OE1 GLN A 56 -22.248 0.692 12.225 1.00 0.00 O ATOM 853 NE2 GLN A 56 -20.605 0.608 10.733 1.00 0.00 N ATOM 0 H GLN A 56 -19.324 5.090 9.189 1.00 0.00 H new ATOM 0 HA GLN A 56 -19.980 3.122 10.436 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.108 3.822 11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -22.718 4.039 9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.617 1.987 10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -22.532 1.595 9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -20.235 0.911 9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -20.066 -0.032 11.316 1.00 0.00 H new TER 862 GLN A 56 HETATM 863 ZN ZN A 57 -15.697 4.516 2.870 1.00 0.00 ZN