USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 34 MET CE :methyl 180:sc= -1.69! (180deg=-1.44!) USER MOD Set 1.2: A 51 CYS SG : rot 102:sc= 1.19 USER MOD Set 1.3: A 75 ASN : amide:sc= -0.381 K(o=-0.89,f=0.31) USER MOD Set 2.1: A 43 GLN : amide:sc= -0.0169 K(o=-2.5,f=-9.2!) USER MOD Set 2.2: A 50 THR OG1 : rot 90:sc= -2.44! USER MOD Single : A 10 HIS : no HD1:sc= -0.253 K(o=-0.25,f=-0.79) USER MOD Single : A 11 MET CE :methyl 159:sc= -0.194 (180deg=-0.789) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -32:sc= 0.0509 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.97) USER MOD Single : A 37 THR OG1 : rot 41:sc= -1.39! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.466 K(o=-0.47,f=-4.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0831 USER MOD Single : A 58 ASN : amide:sc=-0.000328 K(o=-0.00033,f=-2.4!) USER MOD Single : A 61 MET CE :methyl 143:sc= -0.103 (180deg=-1.03) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0293) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 83:sc= 0.327 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.38) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0.195 (180deg=0.192) USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= -0.709! (180deg=-2!) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= 0.953 (180deg=0.586) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc=-0.00422 (180deg=-0.0631) USER MOD Single : A 94 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 15.449 -10.087 20.346 1.00 0.00 N ATOM 2 CA HIS A 10 15.905 -9.891 18.958 1.00 0.00 C ATOM 3 C HIS A 10 16.455 -11.225 18.430 1.00 0.00 C ATOM 4 O HIS A 10 17.595 -11.594 18.728 1.00 0.00 O ATOM 5 CB HIS A 10 16.960 -8.754 18.896 1.00 0.00 C ATOM 6 CG HIS A 10 17.238 -8.210 17.512 1.00 0.00 C ATOM 7 ND1 HIS A 10 17.012 -6.891 17.177 1.00 0.00 N ATOM 8 CD2 HIS A 10 17.761 -8.788 16.400 1.00 0.00 C ATOM 9 CE1 HIS A 10 17.378 -6.682 15.934 1.00 0.00 C ATOM 10 NE2 HIS A 10 17.834 -7.813 15.440 1.00 0.00 N ATOM 0 HA HIS A 10 15.075 -9.585 18.322 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.625 -7.934 19.531 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.894 -9.123 19.319 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.062 -9.820 16.293 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.315 -5.742 15.406 1.00 0.00 H new ATOM 0 HE2 HIS A 10 18.186 -7.943 14.492 1.00 0.00 H new ATOM 19 N MET A 11 15.621 -11.954 17.669 1.00 0.00 N ATOM 20 CA MET A 11 15.967 -13.291 17.124 1.00 0.00 C ATOM 21 C MET A 11 15.529 -13.391 15.657 1.00 0.00 C ATOM 22 O MET A 11 16.294 -13.830 14.792 1.00 0.00 O ATOM 23 CB MET A 11 15.285 -14.403 17.965 1.00 0.00 C ATOM 24 CG MET A 11 15.576 -15.844 17.514 1.00 0.00 C ATOM 25 SD MET A 11 14.625 -17.070 18.447 1.00 0.00 S ATOM 26 CE MET A 11 12.933 -16.629 18.026 1.00 0.00 C ATOM 0 H MET A 11 14.686 -11.639 17.411 1.00 0.00 H new ATOM 0 HA MET A 11 17.047 -13.425 17.177 1.00 0.00 H new ATOM 0 HB2 MET A 11 15.600 -14.295 19.003 1.00 0.00 H new ATOM 0 HB3 MET A 11 14.207 -14.244 17.941 1.00 0.00 H new ATOM 0 HG2 MET A 11 15.347 -15.942 16.453 1.00 0.00 H new ATOM 0 HG3 MET A 11 16.640 -16.049 17.630 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.279 -17.482 18.206 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.612 -15.790 18.643 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.881 -16.347 16.974 1.00 0.00 H new ATOM 36 N ARG A 12 14.279 -12.979 15.394 1.00 0.00 N ATOM 37 CA ARG A 12 13.684 -12.958 14.045 1.00 0.00 C ATOM 38 C ARG A 12 13.239 -11.508 13.747 1.00 0.00 C ATOM 39 O ARG A 12 12.096 -11.229 13.365 1.00 0.00 O ATOM 40 CB ARG A 12 12.512 -13.992 13.975 1.00 0.00 C ATOM 41 CG ARG A 12 11.950 -14.236 12.560 1.00 0.00 C ATOM 42 CD ARG A 12 10.768 -15.218 12.547 1.00 0.00 C ATOM 43 NE ARG A 12 10.227 -15.405 11.187 1.00 0.00 N ATOM 44 CZ ARG A 12 9.269 -16.285 10.847 1.00 0.00 C ATOM 45 NH1 ARG A 12 8.728 -17.088 11.753 1.00 0.00 N ATOM 46 NH2 ARG A 12 8.864 -16.348 9.586 1.00 0.00 N ATOM 0 H ARG A 12 13.644 -12.647 16.120 1.00 0.00 H new ATOM 0 HA ARG A 12 14.400 -13.255 13.279 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.859 -14.942 14.382 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.702 -13.647 14.618 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.631 -13.286 12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.744 -14.622 11.921 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.090 -16.180 12.946 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.981 -14.848 13.204 1.00 0.00 H new ATOM 0 HE ARG A 12 10.611 -14.820 10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.038 -17.043 12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.002 -17.750 11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.279 -15.733 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.138 -17.012 9.316 1.00 0.00 H new ATOM 60 N ASP A 13 14.192 -10.580 13.945 1.00 0.00 N ATOM 61 CA ASP A 13 13.970 -9.131 13.852 1.00 0.00 C ATOM 62 C ASP A 13 14.985 -8.564 12.869 1.00 0.00 C ATOM 63 O ASP A 13 16.082 -8.134 13.241 1.00 0.00 O ATOM 64 CB ASP A 13 14.106 -8.453 15.234 1.00 0.00 C ATOM 65 CG ASP A 13 13.082 -8.951 16.268 1.00 0.00 C ATOM 66 OD1 ASP A 13 13.307 -10.026 16.878 1.00 0.00 O ATOM 67 OD2 ASP A 13 12.046 -8.280 16.473 1.00 0.00 O ATOM 0 H ASP A 13 15.155 -10.823 14.178 1.00 0.00 H new ATOM 0 HA ASP A 13 12.956 -8.935 13.503 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.111 -8.627 15.618 1.00 0.00 H new ATOM 0 HB3 ASP A 13 13.993 -7.376 15.113 1.00 0.00 H new ATOM 72 N TYR A 14 14.617 -8.658 11.609 1.00 0.00 N ATOM 73 CA TYR A 14 15.452 -8.273 10.475 1.00 0.00 C ATOM 74 C TYR A 14 15.368 -6.764 10.252 1.00 0.00 C ATOM 75 O TYR A 14 14.306 -6.226 9.918 1.00 0.00 O ATOM 76 CB TYR A 14 15.002 -9.039 9.211 1.00 0.00 C ATOM 77 CG TYR A 14 15.051 -10.565 9.376 1.00 0.00 C ATOM 78 CD1 TYR A 14 16.268 -11.253 9.371 1.00 0.00 C ATOM 79 CD2 TYR A 14 13.885 -11.309 9.556 1.00 0.00 C ATOM 80 CE1 TYR A 14 16.313 -12.622 9.534 1.00 0.00 C ATOM 81 CE2 TYR A 14 13.930 -12.676 9.718 1.00 0.00 C ATOM 82 CZ TYR A 14 15.145 -13.325 9.705 1.00 0.00 C ATOM 83 OH TYR A 14 15.188 -14.690 9.853 1.00 0.00 O ATOM 0 H TYR A 14 13.703 -9.014 11.330 1.00 0.00 H new ATOM 0 HA TYR A 14 16.490 -8.531 10.687 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.985 -8.740 8.956 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.638 -8.750 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.188 -10.704 9.237 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.930 -10.804 9.569 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.261 -13.139 9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.017 -13.236 9.855 1.00 0.00 H new ATOM 0 HH TYR A 14 14.278 -15.036 9.965 1.00 0.00 H new ATOM 93 N ILE A 15 16.504 -6.088 10.441 1.00 0.00 N ATOM 94 CA ILE A 15 16.605 -4.632 10.369 1.00 0.00 C ATOM 95 C ILE A 15 17.295 -4.261 9.049 1.00 0.00 C ATOM 96 O ILE A 15 18.274 -4.908 8.652 1.00 0.00 O ATOM 97 CB ILE A 15 17.423 -4.035 11.581 1.00 0.00 C ATOM 98 CG1 ILE A 15 17.019 -4.698 12.930 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.261 -2.497 11.661 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.569 -4.542 13.303 1.00 0.00 C ATOM 0 H ILE A 15 17.391 -6.545 10.651 1.00 0.00 H new ATOM 0 HA ILE A 15 15.601 -4.211 10.417 1.00 0.00 H new ATOM 0 HB ILE A 15 18.474 -4.260 11.401 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.254 -5.761 12.880 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.632 -4.273 13.725 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.835 -2.114 12.505 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.625 -2.044 10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.208 -2.249 11.796 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.383 -5.036 14.257 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.328 -3.483 13.390 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.944 -4.994 12.533 1.00 0.00 H new ATOM 112 N CYS A 16 16.775 -3.233 8.380 1.00 0.00 N ATOM 113 CA CYS A 16 17.330 -2.733 7.108 1.00 0.00 C ATOM 114 C CYS A 16 18.546 -1.809 7.379 1.00 0.00 C ATOM 115 O CYS A 16 19.355 -1.603 6.468 1.00 0.00 O ATOM 116 CB CYS A 16 16.228 -2.003 6.301 1.00 0.00 C ATOM 117 SG CYS A 16 16.710 -1.506 4.617 1.00 0.00 S ATOM 0 H CYS A 16 15.955 -2.717 8.700 1.00 0.00 H new ATOM 0 HA CYS A 16 17.681 -3.575 6.511 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.355 -2.653 6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.923 -1.114 6.853 1.00 0.00 H new ATOM 122 N GLU A 17 18.564 -1.206 8.617 1.00 0.00 N ATOM 123 CA GLU A 17 19.714 -0.484 9.276 1.00 0.00 C ATOM 124 C GLU A 17 19.357 0.999 9.515 1.00 0.00 C ATOM 125 O GLU A 17 19.807 1.621 10.488 1.00 0.00 O ATOM 126 CB GLU A 17 21.064 -0.591 8.517 1.00 0.00 C ATOM 127 CG GLU A 17 22.280 0.024 9.228 1.00 0.00 C ATOM 128 CD GLU A 17 23.521 0.075 8.326 1.00 0.00 C ATOM 129 OE1 GLU A 17 23.510 0.847 7.343 1.00 0.00 O ATOM 130 OE2 GLU A 17 24.516 -0.639 8.585 1.00 0.00 O ATOM 0 H GLU A 17 17.736 -1.211 9.212 1.00 0.00 H new ATOM 0 HA GLU A 17 19.866 -0.994 10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.271 -1.644 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.953 -0.109 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.033 1.033 9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.507 -0.557 10.122 1.00 0.00 H new ATOM 137 N TYR A 18 18.484 1.529 8.653 1.00 0.00 N ATOM 138 CA TYR A 18 18.114 2.956 8.623 1.00 0.00 C ATOM 139 C TYR A 18 16.590 3.063 8.537 1.00 0.00 C ATOM 140 O TYR A 18 15.966 3.899 9.187 1.00 0.00 O ATOM 141 CB TYR A 18 18.775 3.653 7.405 1.00 0.00 C ATOM 142 CG TYR A 18 18.658 5.185 7.408 1.00 0.00 C ATOM 143 CD1 TYR A 18 18.720 5.903 8.606 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.496 5.912 6.229 1.00 0.00 C ATOM 145 CE1 TYR A 18 18.614 7.272 8.627 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.391 7.294 6.248 1.00 0.00 C ATOM 147 CZ TYR A 18 18.457 7.969 7.446 1.00 0.00 C ATOM 148 OH TYR A 18 18.365 9.348 7.467 1.00 0.00 O ATOM 0 H TYR A 18 18.005 0.974 7.944 1.00 0.00 H new ATOM 0 HA TYR A 18 18.466 3.451 9.528 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.830 3.382 7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.321 3.268 6.492 1.00 0.00 H new ATOM 0 HD1 TYR A 18 18.854 5.369 9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 18 18.452 5.389 5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.653 7.803 9.567 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.258 7.840 5.326 1.00 0.00 H new ATOM 0 HH TYR A 18 18.258 9.683 6.552 1.00 0.00 H new ATOM 158 N CYS A 19 16.018 2.205 7.693 1.00 0.00 N ATOM 159 CA CYS A 19 14.572 2.163 7.435 1.00 0.00 C ATOM 160 C CYS A 19 13.995 0.763 7.718 1.00 0.00 C ATOM 161 O CYS A 19 13.630 0.024 6.789 1.00 0.00 O ATOM 162 CB CYS A 19 14.318 2.650 5.994 1.00 0.00 C ATOM 163 SG CYS A 19 15.673 2.234 4.861 1.00 0.00 S ATOM 0 H CYS A 19 16.546 1.512 7.163 1.00 0.00 H new ATOM 0 HA CYS A 19 14.045 2.831 8.116 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.393 2.208 5.624 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.175 3.731 6.001 1.00 0.00 H new ATOM 168 N ALA A 20 14.020 0.382 9.014 1.00 0.00 N ATOM 169 CA ALA A 20 13.200 -0.717 9.566 1.00 0.00 C ATOM 170 C ALA A 20 13.191 -0.679 11.103 1.00 0.00 C ATOM 171 O ALA A 20 14.261 -0.713 11.723 1.00 0.00 O ATOM 172 CB ALA A 20 13.683 -2.096 9.098 1.00 0.00 C ATOM 0 H ALA A 20 14.614 0.832 9.711 1.00 0.00 H new ATOM 0 HA ALA A 20 12.188 -0.564 9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.049 -2.870 9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.631 -2.150 8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.713 -2.249 9.420 1.00 0.00 H new ATOM 178 N ARG A 21 11.983 -0.620 11.704 1.00 0.00 N ATOM 179 CA ARG A 21 11.839 -0.809 13.156 1.00 0.00 C ATOM 180 C ARG A 21 12.185 -2.287 13.479 1.00 0.00 C ATOM 181 O ARG A 21 13.041 -2.543 14.342 1.00 0.00 O ATOM 182 CB ARG A 21 10.421 -0.366 13.681 1.00 0.00 C ATOM 183 CG ARG A 21 9.210 -1.242 13.269 1.00 0.00 C ATOM 184 CD ARG A 21 7.852 -0.718 13.799 1.00 0.00 C ATOM 185 NE ARG A 21 6.865 -1.813 13.972 1.00 0.00 N ATOM 186 CZ ARG A 21 5.712 -1.968 13.298 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.396 -1.175 12.279 1.00 0.00 N ATOM 188 NH2 ARG A 21 4.896 -2.962 13.629 1.00 0.00 N ATOM 0 H ARG A 21 11.107 -0.445 11.211 1.00 0.00 H new ATOM 0 HA ARG A 21 12.533 -0.159 13.690 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.459 -0.332 14.770 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.235 0.651 13.336 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.168 -1.299 12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.366 -2.257 13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.005 -0.213 14.753 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.454 0.023 13.106 1.00 0.00 H new ATOM 0 HE ARG A 21 7.084 -2.520 14.674 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.034 -0.431 11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.516 -1.310 11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.147 -3.597 14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.018 -3.090 13.126 1.00 0.00 H new ATOM 202 N ALA A 22 11.523 -3.234 12.770 1.00 0.00 N ATOM 203 CA ALA A 22 11.924 -4.647 12.651 1.00 0.00 C ATOM 204 C ALA A 22 10.935 -5.358 11.725 1.00 0.00 C ATOM 205 O ALA A 22 9.719 -5.208 11.887 1.00 0.00 O ATOM 206 CB ALA A 22 11.945 -5.360 14.011 1.00 0.00 C ATOM 0 H ALA A 22 10.670 -3.023 12.252 1.00 0.00 H new ATOM 0 HA ALA A 22 12.936 -4.680 12.247 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.246 -6.398 13.873 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.654 -4.862 14.672 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.950 -5.327 14.455 1.00 0.00 H new ATOM 212 N PHE A 23 11.454 -6.119 10.759 1.00 0.00 N ATOM 213 CA PHE A 23 10.646 -7.009 9.919 1.00 0.00 C ATOM 214 C PHE A 23 10.782 -8.433 10.453 1.00 0.00 C ATOM 215 O PHE A 23 11.883 -8.885 10.759 1.00 0.00 O ATOM 216 CB PHE A 23 11.080 -6.947 8.431 1.00 0.00 C ATOM 217 CG PHE A 23 10.687 -5.656 7.706 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.401 -5.499 7.184 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.594 -4.608 7.531 1.00 0.00 C ATOM 220 CE1 PHE A 23 9.038 -4.344 6.518 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.226 -3.452 6.859 1.00 0.00 C ATOM 222 CZ PHE A 23 9.950 -3.321 6.356 1.00 0.00 C ATOM 0 H PHE A 23 12.449 -6.136 10.536 1.00 0.00 H new ATOM 0 HA PHE A 23 9.606 -6.686 9.961 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.162 -7.064 8.377 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.641 -7.793 7.902 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.679 -6.293 7.303 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.596 -4.699 7.924 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.038 -4.242 6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.941 -2.653 6.730 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.664 -2.419 5.836 1.00 0.00 H new ATOM 232 N LYS A 24 9.651 -9.136 10.552 1.00 0.00 N ATOM 233 CA LYS A 24 9.605 -10.527 11.026 1.00 0.00 C ATOM 234 C LYS A 24 10.148 -11.499 9.965 1.00 0.00 C ATOM 235 O LYS A 24 10.353 -12.677 10.253 1.00 0.00 O ATOM 236 CB LYS A 24 8.149 -10.916 11.385 1.00 0.00 C ATOM 237 CG LYS A 24 7.160 -10.842 10.191 1.00 0.00 C ATOM 238 CD LYS A 24 5.745 -11.362 10.530 1.00 0.00 C ATOM 239 CE LYS A 24 5.723 -12.862 10.859 1.00 0.00 C ATOM 240 NZ LYS A 24 4.340 -13.357 11.044 1.00 0.00 N ATOM 0 H LYS A 24 8.736 -8.758 10.305 1.00 0.00 H new ATOM 0 HA LYS A 24 10.236 -10.599 11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.143 -11.930 11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.794 -10.258 12.178 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.087 -9.808 9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.562 -11.421 9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.352 -10.803 11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.081 -11.170 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.205 -13.419 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.300 -13.045 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.362 -14.373 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.889 -12.842 11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.797 -13.204 10.170 1.00 0.00 H new ATOM 254 N SER A 25 10.359 -11.009 8.725 1.00 0.00 N ATOM 255 CA SER A 25 10.778 -11.851 7.600 1.00 0.00 C ATOM 256 C SER A 25 11.686 -11.070 6.643 1.00 0.00 C ATOM 257 O SER A 25 11.399 -9.912 6.299 1.00 0.00 O ATOM 258 CB SER A 25 9.539 -12.398 6.857 1.00 0.00 C ATOM 259 OG SER A 25 8.769 -13.220 7.719 1.00 0.00 O ATOM 0 H SER A 25 10.243 -10.025 8.483 1.00 0.00 H new ATOM 0 HA SER A 25 11.350 -12.693 7.990 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.930 -11.570 6.494 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.854 -12.970 5.984 1.00 0.00 H new ATOM 0 HG SER A 25 7.986 -13.558 7.236 1.00 0.00 H new ATOM 265 N SER A 26 12.784 -11.732 6.233 1.00 0.00 N ATOM 266 CA SER A 26 13.753 -11.212 5.249 1.00 0.00 C ATOM 267 C SER A 26 13.081 -10.924 3.886 1.00 0.00 C ATOM 268 O SER A 26 13.438 -9.968 3.192 1.00 0.00 O ATOM 269 CB SER A 26 14.891 -12.235 5.086 1.00 0.00 C ATOM 270 OG SER A 26 15.474 -12.559 6.342 1.00 0.00 O ATOM 0 H SER A 26 13.027 -12.659 6.582 1.00 0.00 H new ATOM 0 HA SER A 26 14.153 -10.266 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 26 14.506 -13.140 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 26 15.654 -11.831 4.421 1.00 0.00 H new ATOM 0 HG SER A 26 15.439 -11.776 6.931 1.00 0.00 H new ATOM 276 N HIS A 27 12.092 -11.771 3.540 1.00 0.00 N ATOM 277 CA HIS A 27 11.276 -11.633 2.319 1.00 0.00 C ATOM 278 C HIS A 27 10.477 -10.314 2.342 1.00 0.00 C ATOM 279 O HIS A 27 10.447 -9.589 1.353 1.00 0.00 O ATOM 280 CB HIS A 27 10.315 -12.845 2.189 1.00 0.00 C ATOM 281 CG HIS A 27 9.445 -12.842 0.954 1.00 0.00 C ATOM 282 ND1 HIS A 27 8.067 -12.764 1.000 1.00 0.00 N ATOM 283 CD2 HIS A 27 9.761 -12.937 -0.361 1.00 0.00 C ATOM 284 CE1 HIS A 27 7.582 -12.813 -0.225 1.00 0.00 C ATOM 285 NE2 HIS A 27 8.588 -12.919 -1.070 1.00 0.00 N ATOM 0 H HIS A 27 11.835 -12.579 4.107 1.00 0.00 H new ATOM 0 HA HIS A 27 11.941 -11.611 1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.907 -13.761 2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.671 -12.875 3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.756 -13.013 -0.775 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.536 -12.773 -0.491 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.507 -12.978 -2.085 1.00 0.00 H new ATOM 294 N ASN A 28 9.859 -10.007 3.502 1.00 0.00 N ATOM 295 CA ASN A 28 9.014 -8.799 3.671 1.00 0.00 C ATOM 296 C ASN A 28 9.866 -7.521 3.580 1.00 0.00 C ATOM 297 O ASN A 28 9.466 -6.524 2.971 1.00 0.00 O ATOM 298 CB ASN A 28 8.283 -8.830 5.036 1.00 0.00 C ATOM 299 CG ASN A 28 7.138 -7.802 5.124 1.00 0.00 C ATOM 300 OD1 ASN A 28 6.519 -7.450 4.113 1.00 0.00 O ATOM 301 ND2 ASN A 28 6.844 -7.316 6.316 1.00 0.00 N ATOM 0 H ASN A 28 9.928 -10.581 4.342 1.00 0.00 H new ATOM 0 HA ASN A 28 8.276 -8.795 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.882 -9.829 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.002 -8.636 5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.092 -6.635 6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.369 -7.622 7.135 1.00 0.00 H new ATOM 308 N LEU A 29 11.034 -7.575 4.227 1.00 0.00 N ATOM 309 CA LEU A 29 12.027 -6.485 4.219 1.00 0.00 C ATOM 310 C LEU A 29 12.543 -6.238 2.789 1.00 0.00 C ATOM 311 O LEU A 29 12.804 -5.093 2.429 1.00 0.00 O ATOM 312 CB LEU A 29 13.162 -6.812 5.266 1.00 0.00 C ATOM 313 CG LEU A 29 14.641 -7.018 4.766 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.375 -5.680 4.452 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.450 -7.860 5.774 1.00 0.00 C ATOM 0 H LEU A 29 11.324 -8.383 4.778 1.00 0.00 H new ATOM 0 HA LEU A 29 11.572 -5.545 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.174 -6.004 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.867 -7.718 5.796 1.00 0.00 H new ATOM 0 HG LEU A 29 14.572 -7.561 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.389 -5.892 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.836 -5.144 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.415 -5.067 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.468 -7.988 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.474 -7.351 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.981 -8.837 5.892 1.00 0.00 H new ATOM 327 N ALA A 30 12.663 -7.319 1.993 1.00 0.00 N ATOM 328 CA ALA A 30 13.099 -7.244 0.578 1.00 0.00 C ATOM 329 C ALA A 30 12.056 -6.529 -0.312 1.00 0.00 C ATOM 330 O ALA A 30 12.421 -5.905 -1.321 1.00 0.00 O ATOM 331 CB ALA A 30 13.398 -8.646 0.035 1.00 0.00 C ATOM 0 H ALA A 30 12.462 -8.268 2.309 1.00 0.00 H new ATOM 0 HA ALA A 30 14.013 -6.650 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.717 -8.573 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.191 -9.104 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.499 -9.259 0.097 1.00 0.00 H new ATOM 337 N VAL A 31 10.764 -6.638 0.071 1.00 0.00 N ATOM 338 CA VAL A 31 9.660 -5.917 -0.611 1.00 0.00 C ATOM 339 C VAL A 31 9.860 -4.396 -0.434 1.00 0.00 C ATOM 340 O VAL A 31 9.812 -3.626 -1.404 1.00 0.00 O ATOM 341 CB VAL A 31 8.236 -6.330 -0.064 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.096 -5.658 -0.877 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.072 -7.864 -0.033 1.00 0.00 C ATOM 0 H VAL A 31 10.457 -7.220 0.851 1.00 0.00 H new ATOM 0 HA VAL A 31 9.692 -6.190 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 31 8.163 -5.968 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.131 -5.965 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.190 -4.574 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.165 -5.963 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.082 -8.116 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.185 -8.262 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.832 -8.298 0.616 1.00 0.00 H new ATOM 353 N HIS A 32 10.131 -3.999 0.825 1.00 0.00 N ATOM 354 CA HIS A 32 10.468 -2.610 1.204 1.00 0.00 C ATOM 355 C HIS A 32 11.782 -2.166 0.523 1.00 0.00 C ATOM 356 O HIS A 32 11.920 -1.014 0.087 1.00 0.00 O ATOM 357 CB HIS A 32 10.585 -2.495 2.773 1.00 0.00 C ATOM 358 CG HIS A 32 11.576 -1.447 3.247 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.285 -0.108 3.336 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.914 -1.556 3.498 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.418 0.539 3.614 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.440 -0.290 3.719 1.00 0.00 N ATOM 0 H HIS A 32 10.122 -4.641 1.618 1.00 0.00 H new ATOM 0 HA HIS A 32 9.672 -1.948 0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.602 -2.262 3.183 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.877 -3.464 3.177 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.366 0.316 3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.474 -2.479 3.521 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.490 1.609 3.738 1.00 0.00 H new ATOM 370 N ARG A 33 12.747 -3.101 0.471 1.00 0.00 N ATOM 371 CA ARG A 33 14.123 -2.854 -0.002 1.00 0.00 C ATOM 372 C ARG A 33 14.167 -2.570 -1.526 1.00 0.00 C ATOM 373 O ARG A 33 15.236 -2.360 -2.058 1.00 0.00 O ATOM 374 CB ARG A 33 15.034 -4.063 0.385 1.00 0.00 C ATOM 375 CG ARG A 33 16.539 -3.749 0.508 1.00 0.00 C ATOM 376 CD ARG A 33 17.396 -4.984 0.834 1.00 0.00 C ATOM 377 NE ARG A 33 18.820 -4.633 1.004 1.00 0.00 N ATOM 378 CZ ARG A 33 19.857 -5.458 0.802 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.681 -6.668 0.278 1.00 0.00 N ATOM 380 NH2 ARG A 33 21.085 -5.054 1.110 1.00 0.00 N ATOM 0 H ARG A 33 12.591 -4.066 0.761 1.00 0.00 H new ATOM 0 HA ARG A 33 14.503 -1.958 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.686 -4.467 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.904 -4.847 -0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.888 -3.310 -0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.684 -3.000 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.026 -5.453 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.295 -5.718 0.034 1.00 0.00 H new ATOM 0 HE ARG A 33 19.033 -3.681 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.745 -6.982 0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.482 -7.282 0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.233 -4.122 1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.879 -5.676 0.959 1.00 0.00 H new ATOM 394 N MET A 34 12.976 -2.463 -2.170 1.00 0.00 N ATOM 395 CA MET A 34 12.771 -2.118 -3.613 1.00 0.00 C ATOM 396 C MET A 34 13.669 -0.956 -4.144 1.00 0.00 C ATOM 397 O MET A 34 13.898 -0.844 -5.354 1.00 0.00 O ATOM 398 CB MET A 34 11.287 -1.698 -3.807 1.00 0.00 C ATOM 399 CG MET A 34 10.879 -0.368 -3.131 1.00 0.00 C ATOM 400 SD MET A 34 9.147 0.118 -3.428 1.00 0.00 S ATOM 401 CE MET A 34 8.246 -1.116 -2.498 1.00 0.00 C ATOM 0 H MET A 34 12.093 -2.620 -1.684 1.00 0.00 H new ATOM 0 HA MET A 34 13.047 -3.008 -4.179 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.086 -1.619 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.649 -2.493 -3.421 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.042 -0.454 -2.057 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.534 0.426 -3.490 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.176 -0.935 -2.595 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.483 -2.107 -2.884 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.530 -1.059 -1.447 1.00 0.00 H new ATOM 411 N ILE A 35 14.170 -0.140 -3.207 1.00 0.00 N ATOM 412 CA ILE A 35 15.054 0.993 -3.464 1.00 0.00 C ATOM 413 C ILE A 35 16.526 0.478 -3.503 1.00 0.00 C ATOM 414 O ILE A 35 17.200 0.599 -4.529 1.00 0.00 O ATOM 415 CB ILE A 35 14.794 2.158 -2.391 1.00 0.00 C ATOM 416 CG1 ILE A 35 16.057 3.049 -2.140 1.00 0.00 C ATOM 417 CG2 ILE A 35 14.218 1.621 -1.051 1.00 0.00 C ATOM 418 CD1 ILE A 35 16.517 3.898 -3.315 1.00 0.00 C ATOM 0 H ILE A 35 13.960 -0.259 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 35 14.846 1.443 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 35 14.034 2.797 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.850 3.710 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.881 2.401 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.062 2.452 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.268 1.121 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.920 0.913 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.397 4.472 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 35 16.765 3.251 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.718 4.580 -3.606 1.00 0.00 H new ATOM 430 N HIS A 36 16.988 -0.147 -2.398 1.00 0.00 N ATOM 431 CA HIS A 36 18.424 -0.522 -2.172 1.00 0.00 C ATOM 432 C HIS A 36 18.701 -2.040 -2.385 1.00 0.00 C ATOM 433 O HIS A 36 19.791 -2.518 -2.043 1.00 0.00 O ATOM 434 CB HIS A 36 18.935 -0.041 -0.757 1.00 0.00 C ATOM 435 CG HIS A 36 17.887 0.433 0.222 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.717 1.752 0.531 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.987 -0.246 0.991 1.00 0.00 C ATOM 438 CE1 HIS A 36 16.763 1.844 1.447 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.269 0.660 1.774 1.00 0.00 N ATOM 0 H HIS A 36 16.379 -0.413 -1.624 1.00 0.00 H new ATOM 0 HA HIS A 36 18.995 0.005 -2.936 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.483 -0.863 -0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.647 0.770 -0.911 1.00 0.00 H new ATOM 0 HD1 HIS A 36 18.235 2.532 0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.851 -1.317 0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.428 2.776 1.877 1.00 0.00 H new ATOM 447 N THR A 37 17.720 -2.777 -2.942 1.00 0.00 N ATOM 448 CA THR A 37 17.683 -4.267 -2.912 1.00 0.00 C ATOM 449 C THR A 37 18.925 -4.952 -3.542 1.00 0.00 C ATOM 450 O THR A 37 19.690 -5.606 -2.815 1.00 0.00 O ATOM 451 CB THR A 37 16.324 -4.815 -3.516 1.00 0.00 C ATOM 452 OG1 THR A 37 16.324 -6.234 -3.599 1.00 0.00 O ATOM 453 CG2 THR A 37 15.973 -4.213 -4.886 1.00 0.00 C ATOM 0 H THR A 37 16.925 -2.362 -3.429 1.00 0.00 H new ATOM 0 HA THR A 37 17.725 -4.544 -1.859 1.00 0.00 H new ATOM 0 HB THR A 37 15.551 -4.494 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.737 -6.609 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.031 -4.634 -5.238 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.875 -3.131 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.763 -4.446 -5.599 1.00 0.00 H new ATOM 461 N GLY A 38 19.142 -4.794 -4.862 1.00 0.00 N ATOM 462 CA GLY A 38 20.232 -5.510 -5.554 1.00 0.00 C ATOM 463 C GLY A 38 19.978 -7.017 -5.581 1.00 0.00 C ATOM 464 O GLY A 38 20.902 -7.831 -5.512 1.00 0.00 O ATOM 0 H GLY A 38 18.586 -4.186 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.325 -5.137 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.178 -5.308 -5.053 1.00 0.00 H new ATOM 468 N GLU A 39 18.690 -7.344 -5.732 1.00 0.00 N ATOM 469 CA GLU A 39 18.110 -8.700 -5.560 1.00 0.00 C ATOM 470 C GLU A 39 16.901 -8.815 -6.498 1.00 0.00 C ATOM 471 O GLU A 39 16.619 -9.899 -7.025 1.00 0.00 O ATOM 472 CB GLU A 39 17.619 -8.976 -4.099 1.00 0.00 C ATOM 473 CG GLU A 39 18.666 -8.800 -2.993 1.00 0.00 C ATOM 474 CD GLU A 39 18.054 -8.879 -1.587 1.00 0.00 C ATOM 475 OE1 GLU A 39 17.426 -7.885 -1.148 1.00 0.00 O ATOM 476 OE2 GLU A 39 18.171 -9.935 -0.926 1.00 0.00 O ATOM 0 H GLU A 39 17.987 -6.651 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 39 18.890 -9.427 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.781 -8.312 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.238 -9.996 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.432 -9.569 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.162 -7.837 -3.116 1.00 0.00 H new ATOM 483 N LYS A 40 16.186 -7.656 -6.660 1.00 0.00 N ATOM 484 CA LYS A 40 14.990 -7.475 -7.521 1.00 0.00 C ATOM 485 C LYS A 40 13.970 -8.620 -7.322 1.00 0.00 C ATOM 486 O LYS A 40 13.889 -9.539 -8.149 1.00 0.00 O ATOM 487 CB LYS A 40 15.351 -7.209 -9.039 1.00 0.00 C ATOM 488 CG LYS A 40 16.335 -8.207 -9.697 1.00 0.00 C ATOM 489 CD LYS A 40 16.622 -7.918 -11.187 1.00 0.00 C ATOM 490 CE LYS A 40 15.402 -8.156 -12.089 1.00 0.00 C ATOM 491 NZ LYS A 40 15.751 -8.030 -13.523 1.00 0.00 N ATOM 0 H LYS A 40 16.444 -6.798 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 40 14.497 -6.560 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.426 -7.211 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.775 -6.208 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.276 -8.190 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.930 -9.215 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.950 -6.884 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.444 -8.550 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.996 -9.150 -11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.619 -7.439 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.904 -8.197 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.115 -7.074 -13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.480 -8.731 -13.766 1.00 0.00 H new ATOM 505 N PRO A 41 13.202 -8.595 -6.173 1.00 0.00 N ATOM 506 CA PRO A 41 12.228 -9.659 -5.826 1.00 0.00 C ATOM 507 C PRO A 41 11.134 -9.817 -6.914 1.00 0.00 C ATOM 508 O PRO A 41 11.176 -10.771 -7.696 1.00 0.00 O ATOM 509 CB PRO A 41 11.665 -9.199 -4.441 1.00 0.00 C ATOM 510 CG PRO A 41 11.944 -7.726 -4.369 1.00 0.00 C ATOM 511 CD PRO A 41 13.234 -7.522 -5.129 1.00 0.00 C ATOM 0 HA PRO A 41 12.674 -10.652 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.597 -9.401 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.150 -9.732 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.132 -7.151 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.041 -7.395 -3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.283 -6.529 -5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.103 -7.622 -4.478 1.00 0.00 H new ATOM 519 N LEU A 42 10.189 -8.866 -6.964 1.00 0.00 N ATOM 520 CA LEU A 42 9.186 -8.739 -8.036 1.00 0.00 C ATOM 521 C LEU A 42 8.935 -7.237 -8.232 1.00 0.00 C ATOM 522 O LEU A 42 8.178 -6.618 -7.475 1.00 0.00 O ATOM 523 CB LEU A 42 7.864 -9.483 -7.693 1.00 0.00 C ATOM 524 CG LEU A 42 7.904 -11.045 -7.646 1.00 0.00 C ATOM 525 CD1 LEU A 42 6.574 -11.629 -7.115 1.00 0.00 C ATOM 526 CD2 LEU A 42 8.270 -11.641 -9.029 1.00 0.00 C ATOM 0 H LEU A 42 10.098 -8.148 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 42 9.557 -9.200 -8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.520 -9.126 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.113 -9.188 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 42 8.689 -11.332 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.636 -12.717 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.391 -11.258 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.756 -11.324 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.289 -12.729 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.526 -11.336 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.252 -11.278 -9.333 1.00 0.00 H new ATOM 538 N GLN A 43 9.584 -6.669 -9.247 1.00 0.00 N ATOM 539 CA GLN A 43 9.682 -5.218 -9.467 1.00 0.00 C ATOM 540 C GLN A 43 9.283 -4.952 -10.931 1.00 0.00 C ATOM 541 O GLN A 43 9.598 -5.761 -11.816 1.00 0.00 O ATOM 542 CB GLN A 43 11.162 -4.757 -9.173 1.00 0.00 C ATOM 543 CG GLN A 43 11.386 -3.273 -8.787 1.00 0.00 C ATOM 544 CD GLN A 43 10.956 -2.258 -9.843 1.00 0.00 C ATOM 545 OE1 GLN A 43 9.828 -1.785 -9.826 1.00 0.00 O ATOM 546 NE2 GLN A 43 11.833 -1.936 -10.786 1.00 0.00 N ATOM 0 H GLN A 43 10.070 -7.214 -9.959 1.00 0.00 H new ATOM 0 HA GLN A 43 9.023 -4.656 -8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.553 -5.377 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.762 -4.969 -10.058 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.842 -3.067 -7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.444 -3.125 -8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.767 -2.346 -10.775 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.573 -1.279 -11.521 1.00 0.00 H new ATOM 555 N CYS A 44 8.559 -3.848 -11.178 1.00 0.00 N ATOM 556 CA CYS A 44 8.222 -3.419 -12.544 1.00 0.00 C ATOM 557 C CYS A 44 9.506 -3.016 -13.279 1.00 0.00 C ATOM 558 O CYS A 44 10.031 -1.917 -13.073 1.00 0.00 O ATOM 559 CB CYS A 44 7.235 -2.226 -12.536 1.00 0.00 C ATOM 560 SG CYS A 44 6.925 -1.505 -14.197 1.00 0.00 S ATOM 0 H CYS A 44 8.196 -3.236 -10.448 1.00 0.00 H new ATOM 0 HA CYS A 44 7.740 -4.252 -13.055 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.287 -2.555 -12.111 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.626 -1.448 -11.880 1.00 0.00 H new ATOM 565 N GLU A 45 9.976 -3.912 -14.156 1.00 0.00 N ATOM 566 CA GLU A 45 11.176 -3.693 -14.995 1.00 0.00 C ATOM 567 C GLU A 45 10.904 -2.705 -16.139 1.00 0.00 C ATOM 568 O GLU A 45 11.810 -2.392 -16.922 1.00 0.00 O ATOM 569 CB GLU A 45 11.735 -5.034 -15.559 1.00 0.00 C ATOM 570 CG GLU A 45 10.760 -5.882 -16.418 1.00 0.00 C ATOM 571 CD GLU A 45 9.661 -6.572 -15.593 1.00 0.00 C ATOM 572 OE1 GLU A 45 9.994 -7.391 -14.713 1.00 0.00 O ATOM 573 OE2 GLU A 45 8.465 -6.269 -15.785 1.00 0.00 O ATOM 0 H GLU A 45 9.535 -4.819 -14.309 1.00 0.00 H new ATOM 0 HA GLU A 45 11.933 -3.254 -14.345 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.615 -4.810 -16.162 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.070 -5.644 -14.720 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.294 -5.240 -17.165 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.328 -6.639 -16.958 1.00 0.00 H new ATOM 580 N ILE A 46 9.650 -2.214 -16.240 1.00 0.00 N ATOM 581 CA ILE A 46 9.282 -1.180 -17.207 1.00 0.00 C ATOM 582 C ILE A 46 9.643 0.175 -16.579 1.00 0.00 C ATOM 583 O ILE A 46 10.410 0.945 -17.152 1.00 0.00 O ATOM 584 CB ILE A 46 7.745 -1.189 -17.615 1.00 0.00 C ATOM 585 CG1 ILE A 46 7.258 -2.592 -18.140 1.00 0.00 C ATOM 586 CG2 ILE A 46 7.486 -0.087 -18.670 1.00 0.00 C ATOM 587 CD1 ILE A 46 7.033 -3.645 -17.066 1.00 0.00 C ATOM 0 H ILE A 46 8.876 -2.526 -15.654 1.00 0.00 H new ATOM 0 HA ILE A 46 9.827 -1.372 -18.131 1.00 0.00 H new ATOM 0 HB ILE A 46 7.164 -0.984 -16.716 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.327 -2.453 -18.690 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.993 -2.971 -18.849 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.433 -0.092 -18.951 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.745 0.885 -18.252 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.097 -0.277 -19.552 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.700 -4.573 -17.530 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.965 -3.822 -16.529 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.273 -3.295 -16.367 1.00 0.00 H new ATOM 599 N CYS A 47 9.100 0.436 -15.368 1.00 0.00 N ATOM 600 CA CYS A 47 9.412 1.648 -14.610 1.00 0.00 C ATOM 601 C CYS A 47 9.739 1.295 -13.139 1.00 0.00 C ATOM 602 O CYS A 47 10.860 0.869 -12.839 1.00 0.00 O ATOM 603 CB CYS A 47 8.277 2.721 -14.766 1.00 0.00 C ATOM 604 SG CYS A 47 6.666 2.399 -13.932 1.00 0.00 S ATOM 0 H CYS A 47 8.441 -0.187 -14.901 1.00 0.00 H new ATOM 0 HA CYS A 47 10.309 2.109 -15.022 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.662 3.671 -14.395 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.083 2.850 -15.831 1.00 0.00 H new ATOM 609 N GLY A 48 8.754 1.432 -12.247 1.00 0.00 N ATOM 610 CA GLY A 48 8.929 1.250 -10.799 1.00 0.00 C ATOM 611 C GLY A 48 7.590 0.879 -10.179 1.00 0.00 C ATOM 612 O GLY A 48 6.614 1.576 -10.493 1.00 0.00 O ATOM 0 H GLY A 48 7.799 1.676 -12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.663 0.468 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.311 2.166 -10.348 1.00 0.00 H new ATOM 616 N PHE A 49 7.508 -0.178 -9.336 1.00 0.00 N ATOM 617 CA PHE A 49 6.302 -0.618 -8.619 1.00 0.00 C ATOM 618 C PHE A 49 6.687 -2.023 -8.161 1.00 0.00 C ATOM 619 O PHE A 49 6.843 -2.911 -9.011 1.00 0.00 O ATOM 620 CB PHE A 49 5.021 -0.682 -9.512 1.00 0.00 C ATOM 621 CG PHE A 49 3.729 -1.030 -8.767 1.00 0.00 C ATOM 622 CD1 PHE A 49 3.422 -2.352 -8.446 1.00 0.00 C ATOM 623 CD2 PHE A 49 2.813 -0.046 -8.408 1.00 0.00 C ATOM 624 CE1 PHE A 49 2.251 -2.674 -7.786 1.00 0.00 C ATOM 625 CE2 PHE A 49 1.640 -0.371 -7.751 1.00 0.00 C ATOM 626 CZ PHE A 49 1.357 -1.686 -7.442 1.00 0.00 C ATOM 0 H PHE A 49 8.316 -0.766 -9.133 1.00 0.00 H new ATOM 0 HA PHE A 49 6.037 0.077 -7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.891 0.282 -10.004 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.180 -1.421 -10.297 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.111 -3.138 -8.718 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.021 0.987 -8.646 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.037 -3.704 -7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.943 0.407 -7.479 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.439 -1.938 -6.933 1.00 0.00 H new ATOM 636 N THR A 50 6.822 -2.248 -6.852 1.00 0.00 N ATOM 637 CA THR A 50 7.417 -3.478 -6.346 1.00 0.00 C ATOM 638 C THR A 50 6.480 -4.095 -5.310 1.00 0.00 C ATOM 639 O THR A 50 6.137 -3.465 -4.309 1.00 0.00 O ATOM 640 CB THR A 50 8.782 -3.216 -5.664 1.00 0.00 C ATOM 641 OG1 THR A 50 9.527 -2.244 -6.416 1.00 0.00 O ATOM 642 CG2 THR A 50 9.618 -4.501 -5.505 1.00 0.00 C ATOM 0 H THR A 50 6.527 -1.593 -6.128 1.00 0.00 H new ATOM 0 HA THR A 50 7.571 -4.147 -7.193 1.00 0.00 H new ATOM 0 HB THR A 50 8.574 -2.836 -4.664 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.315 -1.345 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.565 -4.261 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.070 -5.218 -4.894 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.811 -4.933 -6.487 1.00 0.00 H new ATOM 650 N CYS A 51 6.159 -5.334 -5.524 1.00 0.00 N ATOM 651 CA CYS A 51 5.205 -6.079 -4.699 1.00 0.00 C ATOM 652 C CYS A 51 5.574 -7.558 -4.707 1.00 0.00 C ATOM 653 O CYS A 51 5.966 -8.091 -5.735 1.00 0.00 O ATOM 654 CB CYS A 51 3.769 -5.866 -5.227 1.00 0.00 C ATOM 655 SG CYS A 51 3.112 -4.198 -4.972 1.00 0.00 S ATOM 0 H CYS A 51 6.551 -5.884 -6.289 1.00 0.00 H new ATOM 0 HA CYS A 51 5.246 -5.714 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.751 -6.090 -6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.107 -6.582 -4.740 1.00 0.00 H new ATOM 0 HG CYS A 51 3.179 -3.530 -6.085 1.00 0.00 H new ATOM 661 N ARG A 52 5.417 -8.208 -3.549 1.00 0.00 N ATOM 662 CA ARG A 52 5.649 -9.654 -3.388 1.00 0.00 C ATOM 663 C ARG A 52 4.565 -10.479 -4.124 1.00 0.00 C ATOM 664 O ARG A 52 4.706 -11.692 -4.285 1.00 0.00 O ATOM 665 CB ARG A 52 5.691 -9.999 -1.877 1.00 0.00 C ATOM 666 CG ARG A 52 4.436 -9.557 -1.095 1.00 0.00 C ATOM 667 CD ARG A 52 4.594 -9.635 0.424 1.00 0.00 C ATOM 668 NE ARG A 52 3.403 -9.103 1.102 1.00 0.00 N ATOM 669 CZ ARG A 52 3.104 -9.297 2.388 1.00 0.00 C ATOM 670 NH1 ARG A 52 3.914 -9.999 3.164 1.00 0.00 N ATOM 671 NH2 ARG A 52 1.992 -8.784 2.885 1.00 0.00 N ATOM 0 H ARG A 52 5.123 -7.745 -2.689 1.00 0.00 H new ATOM 0 HA ARG A 52 6.607 -9.915 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.816 -11.076 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.568 -9.528 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.189 -8.532 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.594 -10.181 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.757 -10.670 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.475 -9.072 0.732 1.00 0.00 H new ATOM 0 HE ARG A 52 2.756 -8.543 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.772 -10.395 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.680 -10.144 4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.368 -8.243 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.758 -8.929 3.867 1.00 0.00 H new ATOM 685 N GLN A 53 3.484 -9.804 -4.554 1.00 0.00 N ATOM 686 CA GLN A 53 2.436 -10.398 -5.387 1.00 0.00 C ATOM 687 C GLN A 53 2.662 -9.962 -6.841 1.00 0.00 C ATOM 688 O GLN A 53 2.493 -8.783 -7.172 1.00 0.00 O ATOM 689 CB GLN A 53 1.026 -9.966 -4.881 1.00 0.00 C ATOM 690 CG GLN A 53 0.707 -10.365 -3.417 1.00 0.00 C ATOM 691 CD GLN A 53 0.562 -11.880 -3.163 1.00 0.00 C ATOM 692 OE1 GLN A 53 1.180 -12.719 -3.820 1.00 0.00 O ATOM 693 NE2 GLN A 53 -0.253 -12.246 -2.182 1.00 0.00 N ATOM 0 H GLN A 53 3.317 -8.823 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 53 2.483 -11.485 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.938 -8.884 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.272 -10.404 -5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.497 -9.979 -2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.218 -9.873 -3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.757 -11.539 -1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.375 -13.235 -1.962 1.00 0.00 H new ATOM 702 N LYS A 54 3.115 -10.918 -7.671 1.00 0.00 N ATOM 703 CA LYS A 54 3.342 -10.747 -9.126 1.00 0.00 C ATOM 704 C LYS A 54 2.123 -10.080 -9.822 1.00 0.00 C ATOM 705 O LYS A 54 2.278 -9.195 -10.675 1.00 0.00 O ATOM 706 CB LYS A 54 3.616 -12.145 -9.747 1.00 0.00 C ATOM 707 CG LYS A 54 3.939 -12.152 -11.261 1.00 0.00 C ATOM 708 CD LYS A 54 3.990 -13.577 -11.860 1.00 0.00 C ATOM 709 CE LYS A 54 2.635 -14.300 -11.788 1.00 0.00 C ATOM 710 NZ LYS A 54 2.701 -15.669 -12.344 1.00 0.00 N ATOM 0 H LYS A 54 3.341 -11.858 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 54 4.198 -10.089 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.449 -12.603 -9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.744 -12.776 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.186 -11.568 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.898 -11.660 -11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.311 -13.518 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.739 -14.164 -11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.305 -14.347 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.888 -13.724 -12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.765 -16.117 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.990 -15.625 -13.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.394 -16.229 -11.807 1.00 0.00 H new ATOM 724 N ALA A 55 0.928 -10.530 -9.411 1.00 0.00 N ATOM 725 CA ALA A 55 -0.369 -10.026 -9.912 1.00 0.00 C ATOM 726 C ALA A 55 -0.530 -8.487 -9.744 1.00 0.00 C ATOM 727 O ALA A 55 -1.239 -7.849 -10.517 1.00 0.00 O ATOM 728 CB ALA A 55 -1.521 -10.771 -9.215 1.00 0.00 C ATOM 0 H ALA A 55 0.829 -11.265 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.399 -10.221 -10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.475 -10.396 -9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.444 -11.838 -9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.462 -10.607 -8.139 1.00 0.00 H new ATOM 734 N SER A 56 0.113 -7.904 -8.716 1.00 0.00 N ATOM 735 CA SER A 56 0.047 -6.444 -8.462 1.00 0.00 C ATOM 736 C SER A 56 0.801 -5.637 -9.546 1.00 0.00 C ATOM 737 O SER A 56 0.206 -4.770 -10.212 1.00 0.00 O ATOM 738 CB SER A 56 0.617 -6.127 -7.067 1.00 0.00 C ATOM 739 OG SER A 56 -0.035 -6.892 -6.073 1.00 0.00 O ATOM 0 H SER A 56 0.685 -8.417 -8.045 1.00 0.00 H new ATOM 0 HA SER A 56 -1.001 -6.146 -8.502 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.687 -6.336 -7.050 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.496 -5.065 -6.853 1.00 0.00 H new ATOM 0 HG SER A 56 0.343 -6.677 -5.195 1.00 0.00 H new ATOM 745 N LEU A 57 2.105 -5.947 -9.739 1.00 0.00 N ATOM 746 CA LEU A 57 2.977 -5.194 -10.664 1.00 0.00 C ATOM 747 C LEU A 57 2.695 -5.539 -12.143 1.00 0.00 C ATOM 748 O LEU A 57 2.582 -4.635 -12.972 1.00 0.00 O ATOM 749 CB LEU A 57 4.488 -5.387 -10.338 1.00 0.00 C ATOM 750 CG LEU A 57 5.004 -6.865 -10.238 1.00 0.00 C ATOM 751 CD1 LEU A 57 6.421 -7.007 -10.825 1.00 0.00 C ATOM 752 CD2 LEU A 57 4.960 -7.373 -8.782 1.00 0.00 C ATOM 0 H LEU A 57 2.575 -6.717 -9.263 1.00 0.00 H new ATOM 0 HA LEU A 57 2.735 -4.142 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.070 -4.875 -11.104 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.698 -4.888 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 57 4.334 -7.486 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.748 -8.043 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.411 -6.715 -11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.108 -6.363 -10.276 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.323 -8.400 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.591 -6.741 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.934 -7.337 -8.415 1.00 0.00 H new ATOM 764 N ASN A 58 2.625 -6.845 -12.472 1.00 0.00 N ATOM 765 CA ASN A 58 2.376 -7.320 -13.859 1.00 0.00 C ATOM 766 C ASN A 58 1.087 -6.749 -14.462 1.00 0.00 C ATOM 767 O ASN A 58 1.009 -6.522 -15.674 1.00 0.00 O ATOM 768 CB ASN A 58 2.373 -8.878 -13.940 1.00 0.00 C ATOM 769 CG ASN A 58 3.760 -9.494 -13.733 1.00 0.00 C ATOM 770 OD1 ASN A 58 4.597 -8.948 -13.014 1.00 0.00 O ATOM 771 ND2 ASN A 58 4.018 -10.642 -14.350 1.00 0.00 N ATOM 0 H ASN A 58 2.738 -7.599 -11.794 1.00 0.00 H new ATOM 0 HA ASN A 58 3.205 -6.943 -14.458 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.691 -9.273 -13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.988 -9.184 -14.912 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.926 -11.091 -14.233 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.308 -11.074 -14.941 1.00 0.00 H new ATOM 778 N TRP A 59 0.094 -6.499 -13.614 1.00 0.00 N ATOM 779 CA TRP A 59 -1.181 -5.914 -14.047 1.00 0.00 C ATOM 780 C TRP A 59 -1.068 -4.380 -14.119 1.00 0.00 C ATOM 781 O TRP A 59 -1.636 -3.783 -15.018 1.00 0.00 O ATOM 782 CB TRP A 59 -2.354 -6.404 -13.166 1.00 0.00 C ATOM 783 CG TRP A 59 -2.720 -7.851 -13.453 1.00 0.00 C ATOM 784 CD1 TRP A 59 -1.932 -8.957 -13.272 1.00 0.00 C ATOM 785 CD2 TRP A 59 -3.953 -8.339 -14.005 1.00 0.00 C ATOM 786 NE1 TRP A 59 -2.600 -10.085 -13.660 1.00 0.00 N ATOM 787 CE2 TRP A 59 -3.838 -9.738 -14.117 1.00 0.00 C ATOM 788 CE3 TRP A 59 -5.137 -7.728 -14.416 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -4.865 -10.532 -14.610 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -6.159 -8.520 -14.906 1.00 0.00 C ATOM 791 CH2 TRP A 59 -6.015 -9.908 -15.006 1.00 0.00 C ATOM 0 H TRP A 59 0.144 -6.693 -12.614 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.407 -6.260 -15.055 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.085 -6.300 -12.115 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.224 -5.770 -13.336 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.926 -8.940 -12.879 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.231 -11.035 -13.615 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -5.254 -6.656 -14.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.759 -11.605 -14.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -7.085 -8.059 -15.217 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -6.828 -10.498 -15.404 1.00 0.00 H new ATOM 802 N HIS A 60 -0.360 -3.749 -13.138 1.00 0.00 N ATOM 803 CA HIS A 60 0.112 -2.328 -13.240 1.00 0.00 C ATOM 804 C HIS A 60 0.769 -1.999 -14.611 1.00 0.00 C ATOM 805 O HIS A 60 0.587 -0.893 -15.128 1.00 0.00 O ATOM 806 CB HIS A 60 1.073 -1.993 -12.034 1.00 0.00 C ATOM 807 CG HIS A 60 2.128 -0.934 -12.291 1.00 0.00 C ATOM 808 ND1 HIS A 60 1.924 0.424 -12.262 1.00 0.00 N ATOM 809 CD2 HIS A 60 3.417 -1.105 -12.635 1.00 0.00 C ATOM 810 CE1 HIS A 60 3.080 1.017 -12.598 1.00 0.00 C ATOM 811 NE2 HIS A 60 4.036 0.126 -12.843 1.00 0.00 N ATOM 0 H HIS A 60 -0.101 -4.202 -12.262 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.767 -1.687 -13.180 1.00 0.00 H new ATOM 0 HB2 HIS A 60 0.463 -1.671 -11.190 1.00 0.00 H new ATOM 0 HB3 HIS A 60 1.576 -2.911 -11.732 1.00 0.00 H new ATOM 0 HD1 HIS A 60 1.051 0.897 -12.027 1.00 0.00 H new ATOM 0 HD2 HIS A 60 3.905 -2.063 -12.736 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.217 2.086 -12.662 1.00 0.00 H new ATOM 819 N MET A 61 1.533 -2.952 -15.178 1.00 0.00 N ATOM 820 CA MET A 61 2.130 -2.832 -16.520 1.00 0.00 C ATOM 821 C MET A 61 1.044 -2.719 -17.606 1.00 0.00 C ATOM 822 O MET A 61 1.119 -1.856 -18.487 1.00 0.00 O ATOM 823 CB MET A 61 3.073 -4.034 -16.745 1.00 0.00 C ATOM 824 CG MET A 61 3.393 -4.381 -18.193 1.00 0.00 C ATOM 825 SD MET A 61 4.674 -5.660 -18.352 1.00 0.00 S ATOM 826 CE MET A 61 4.012 -7.018 -17.389 1.00 0.00 C ATOM 0 H MET A 61 1.754 -3.833 -14.714 1.00 0.00 H new ATOM 0 HA MET A 61 2.713 -1.914 -16.590 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.011 -3.835 -16.226 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.628 -4.910 -16.274 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.484 -4.722 -18.688 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.720 -3.480 -18.713 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.259 -7.962 -17.874 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.444 -6.999 -16.389 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.929 -6.920 -17.318 1.00 0.00 H new ATOM 836 N LYS A 62 0.047 -3.601 -17.519 1.00 0.00 N ATOM 837 CA LYS A 62 -1.150 -3.574 -18.395 1.00 0.00 C ATOM 838 C LYS A 62 -1.940 -2.242 -18.230 1.00 0.00 C ATOM 839 O LYS A 62 -2.477 -1.695 -19.204 1.00 0.00 O ATOM 840 CB LYS A 62 -2.049 -4.791 -18.066 1.00 0.00 C ATOM 841 CG LYS A 62 -1.335 -6.157 -18.142 1.00 0.00 C ATOM 842 CD LYS A 62 -2.205 -7.337 -17.630 1.00 0.00 C ATOM 843 CE LYS A 62 -3.508 -7.524 -18.428 1.00 0.00 C ATOM 844 NZ LYS A 62 -3.253 -7.764 -19.868 1.00 0.00 N ATOM 0 H LYS A 62 0.037 -4.362 -16.840 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.829 -3.632 -19.435 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.457 -4.664 -17.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.894 -4.799 -18.755 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.045 -6.350 -19.175 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.417 -6.112 -17.557 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.622 -8.257 -17.679 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.450 -7.170 -16.581 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.068 -8.363 -18.015 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.132 -6.638 -18.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.149 -7.985 -20.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.834 -6.912 -20.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.597 -8.564 -19.976 1.00 0.00 H new ATOM 858 N LYS A 63 -1.983 -1.742 -16.975 1.00 0.00 N ATOM 859 CA LYS A 63 -2.594 -0.433 -16.632 1.00 0.00 C ATOM 860 C LYS A 63 -1.856 0.729 -17.330 1.00 0.00 C ATOM 861 O LYS A 63 -2.478 1.741 -17.697 1.00 0.00 O ATOM 862 CB LYS A 63 -2.610 -0.183 -15.097 1.00 0.00 C ATOM 863 CG LYS A 63 -3.385 -1.234 -14.286 1.00 0.00 C ATOM 864 CD LYS A 63 -3.323 -0.972 -12.763 1.00 0.00 C ATOM 865 CE LYS A 63 -3.807 -2.176 -11.937 1.00 0.00 C ATOM 866 NZ LYS A 63 -5.245 -2.480 -12.154 1.00 0.00 N ATOM 0 H LYS A 63 -1.596 -2.233 -16.169 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.624 -0.470 -16.988 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.582 -0.151 -14.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.046 0.798 -14.906 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.426 -1.241 -14.608 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.979 -2.223 -14.498 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.298 -0.730 -12.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.933 -0.102 -12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.212 -3.052 -12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.638 -1.977 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.518 -3.299 -11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.819 -1.656 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.406 -2.698 -13.158 1.00 0.00 H new ATOM 880 N HIS A 64 -0.519 0.589 -17.502 1.00 0.00 N ATOM 881 CA HIS A 64 0.308 1.632 -18.140 1.00 0.00 C ATOM 882 C HIS A 64 0.767 1.231 -19.547 1.00 0.00 C ATOM 883 O HIS A 64 1.787 1.709 -20.041 1.00 0.00 O ATOM 884 CB HIS A 64 1.433 2.168 -17.213 1.00 0.00 C ATOM 885 CG HIS A 64 2.755 1.453 -17.100 1.00 0.00 C ATOM 886 ND1 HIS A 64 3.882 1.984 -17.659 1.00 0.00 N ATOM 887 CD2 HIS A 64 3.186 0.509 -16.233 1.00 0.00 C ATOM 888 CE1 HIS A 64 4.927 1.398 -17.089 1.00 0.00 C ATOM 889 NE2 HIS A 64 4.574 0.495 -16.189 1.00 0.00 N ATOM 0 H HIS A 64 0.005 -0.235 -17.207 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.336 2.498 -18.295 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.648 3.188 -17.530 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.016 2.228 -16.208 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.915 2.701 -18.384 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.543 -0.141 -15.658 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.953 1.632 -17.333 1.00 0.00 H new ATOM 897 N ASP A 65 0.010 0.312 -20.181 1.00 0.00 N ATOM 898 CA ASP A 65 0.002 0.177 -21.660 1.00 0.00 C ATOM 899 C ASP A 65 -0.306 1.548 -22.319 1.00 0.00 C ATOM 900 O ASP A 65 0.213 1.873 -23.388 1.00 0.00 O ATOM 901 CB ASP A 65 -1.039 -0.887 -22.113 1.00 0.00 C ATOM 902 CG ASP A 65 -1.142 -1.040 -23.651 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.207 -1.599 -24.262 1.00 0.00 O ATOM 904 OD2 ASP A 65 -2.143 -0.587 -24.259 1.00 0.00 O ATOM 0 H ASP A 65 -0.602 -0.346 -19.699 1.00 0.00 H new ATOM 0 HA ASP A 65 0.989 -0.156 -21.981 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.774 -1.850 -21.678 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.018 -0.617 -21.717 1.00 0.00 H new ATOM 909 N ALA A 66 -1.165 2.335 -21.643 1.00 0.00 N ATOM 910 CA ALA A 66 -1.489 3.729 -22.027 1.00 0.00 C ATOM 911 C ALA A 66 -0.428 4.732 -21.496 1.00 0.00 C ATOM 912 O ALA A 66 -0.242 5.816 -22.070 1.00 0.00 O ATOM 913 CB ALA A 66 -2.871 4.089 -21.490 1.00 0.00 C ATOM 0 H ALA A 66 -1.659 2.022 -20.808 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.484 3.797 -23.115 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.114 5.114 -21.770 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.613 3.412 -21.912 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.874 3.999 -20.404 1.00 0.00 H new ATOM 919 N ASP A 67 0.177 4.365 -20.342 1.00 0.00 N ATOM 920 CA ASP A 67 1.353 5.025 -19.704 1.00 0.00 C ATOM 921 C ASP A 67 0.985 6.230 -18.825 1.00 0.00 C ATOM 922 O ASP A 67 1.320 6.242 -17.638 1.00 0.00 O ATOM 923 CB ASP A 67 2.480 5.391 -20.720 1.00 0.00 C ATOM 924 CG ASP A 67 3.203 4.156 -21.269 1.00 0.00 C ATOM 925 OD1 ASP A 67 4.070 3.603 -20.547 1.00 0.00 O ATOM 926 OD2 ASP A 67 2.899 3.719 -22.402 1.00 0.00 O ATOM 0 H ASP A 67 -0.152 3.565 -19.801 1.00 0.00 H new ATOM 0 HA ASP A 67 1.757 4.264 -19.036 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.049 5.953 -21.548 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.204 6.045 -20.234 1.00 0.00 H new ATOM 931 N SER A 68 0.286 7.199 -19.412 1.00 0.00 N ATOM 932 CA SER A 68 0.058 8.559 -18.855 1.00 0.00 C ATOM 933 C SER A 68 -0.339 8.624 -17.352 1.00 0.00 C ATOM 934 O SER A 68 0.056 9.564 -16.646 1.00 0.00 O ATOM 935 CB SER A 68 -1.014 9.256 -19.726 1.00 0.00 C ATOM 936 OG SER A 68 -2.151 8.423 -19.918 1.00 0.00 O ATOM 0 H SER A 68 -0.159 7.069 -20.321 1.00 0.00 H new ATOM 0 HA SER A 68 1.020 9.070 -18.890 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.320 10.188 -19.251 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.585 9.517 -20.693 1.00 0.00 H new ATOM 0 HG SER A 68 -2.748 8.502 -19.145 1.00 0.00 H new ATOM 942 N PHE A 69 -1.104 7.634 -16.873 1.00 0.00 N ATOM 943 CA PHE A 69 -1.698 7.666 -15.514 1.00 0.00 C ATOM 944 C PHE A 69 -0.969 6.733 -14.515 1.00 0.00 C ATOM 945 O PHE A 69 -1.342 6.689 -13.338 1.00 0.00 O ATOM 946 CB PHE A 69 -3.207 7.315 -15.607 1.00 0.00 C ATOM 947 CG PHE A 69 -4.005 8.266 -16.497 1.00 0.00 C ATOM 948 CD1 PHE A 69 -4.143 9.608 -16.154 1.00 0.00 C ATOM 949 CD2 PHE A 69 -4.600 7.828 -17.679 1.00 0.00 C ATOM 950 CE1 PHE A 69 -4.854 10.479 -16.959 1.00 0.00 C ATOM 951 CE2 PHE A 69 -5.308 8.700 -18.481 1.00 0.00 C ATOM 952 CZ PHE A 69 -5.433 10.023 -18.123 1.00 0.00 C ATOM 0 H PHE A 69 -1.332 6.793 -17.404 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.578 8.675 -15.121 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.312 6.300 -15.989 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.635 7.324 -14.605 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.688 9.974 -15.246 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.506 6.793 -17.971 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.955 11.516 -16.675 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.765 8.343 -19.392 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.985 10.704 -18.754 1.00 0.00 H new ATOM 962 N TYR A 70 0.086 6.022 -14.970 1.00 0.00 N ATOM 963 CA TYR A 70 0.803 4.999 -14.154 1.00 0.00 C ATOM 964 C TYR A 70 2.296 4.894 -14.562 1.00 0.00 C ATOM 965 O TYR A 70 2.901 3.819 -14.445 1.00 0.00 O ATOM 966 CB TYR A 70 0.099 3.604 -14.263 1.00 0.00 C ATOM 967 CG TYR A 70 -1.197 3.463 -13.453 1.00 0.00 C ATOM 968 CD1 TYR A 70 -1.150 3.259 -12.073 1.00 0.00 C ATOM 969 CD2 TYR A 70 -2.456 3.544 -14.057 1.00 0.00 C ATOM 970 CE1 TYR A 70 -2.305 3.134 -11.328 1.00 0.00 C ATOM 971 CE2 TYR A 70 -3.616 3.419 -13.311 1.00 0.00 C ATOM 972 CZ TYR A 70 -3.533 3.215 -11.949 1.00 0.00 C ATOM 973 OH TYR A 70 -4.683 3.083 -11.205 1.00 0.00 O ATOM 0 H TYR A 70 0.469 6.135 -15.909 1.00 0.00 H new ATOM 0 HA TYR A 70 0.765 5.322 -13.114 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.123 3.408 -15.312 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.799 2.835 -13.936 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.192 3.198 -11.579 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.525 3.707 -15.122 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.247 2.973 -10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.581 3.481 -13.793 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.464 3.166 -11.792 1.00 0.00 H new ATOM 983 N GLN A 71 2.897 6.022 -14.991 1.00 0.00 N ATOM 984 CA GLN A 71 4.360 6.093 -15.262 1.00 0.00 C ATOM 985 C GLN A 71 5.133 6.421 -13.969 1.00 0.00 C ATOM 986 O GLN A 71 6.334 6.147 -13.868 1.00 0.00 O ATOM 987 CB GLN A 71 4.709 7.135 -16.370 1.00 0.00 C ATOM 988 CG GLN A 71 4.493 6.636 -17.809 1.00 0.00 C ATOM 989 CD GLN A 71 4.846 7.667 -18.881 1.00 0.00 C ATOM 990 OE1 GLN A 71 5.980 7.733 -19.359 1.00 0.00 O ATOM 991 NE2 GLN A 71 3.873 8.482 -19.259 1.00 0.00 N ATOM 0 H GLN A 71 2.400 6.897 -15.159 1.00 0.00 H new ATOM 0 HA GLN A 71 4.663 5.112 -15.628 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.104 8.028 -16.214 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.751 7.433 -16.255 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.095 5.741 -17.967 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.450 6.344 -17.929 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.946 8.398 -18.841 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.050 9.194 -19.968 1.00 0.00 H new ATOM 1000 N PHE A 72 4.424 7.005 -12.985 1.00 0.00 N ATOM 1001 CA PHE A 72 4.975 7.404 -11.702 1.00 0.00 C ATOM 1002 C PHE A 72 3.888 7.053 -10.694 1.00 0.00 C ATOM 1003 O PHE A 72 2.729 7.416 -10.899 1.00 0.00 O ATOM 1004 CB PHE A 72 5.247 8.947 -11.639 1.00 0.00 C ATOM 1005 CG PHE A 72 5.822 9.566 -12.911 1.00 0.00 C ATOM 1006 CD1 PHE A 72 7.188 9.624 -13.119 1.00 0.00 C ATOM 1007 CD2 PHE A 72 4.982 10.080 -13.905 1.00 0.00 C ATOM 1008 CE1 PHE A 72 7.707 10.177 -14.270 1.00 0.00 C ATOM 1009 CE2 PHE A 72 5.505 10.627 -15.056 1.00 0.00 C ATOM 1010 CZ PHE A 72 6.865 10.676 -15.237 1.00 0.00 C ATOM 0 H PHE A 72 3.429 7.212 -13.075 1.00 0.00 H new ATOM 0 HA PHE A 72 5.927 6.908 -11.514 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.312 9.454 -11.400 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.935 9.144 -10.817 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.858 9.230 -12.369 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.911 10.047 -13.768 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.777 10.219 -14.413 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.845 11.017 -15.816 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.274 11.107 -16.139 1.00 0.00 H new ATOM 1020 N SER A 73 4.263 6.386 -9.629 1.00 0.00 N ATOM 1021 CA SER A 73 3.353 6.021 -8.541 1.00 0.00 C ATOM 1022 C SER A 73 4.137 5.751 -7.262 1.00 0.00 C ATOM 1023 O SER A 73 5.309 5.358 -7.302 1.00 0.00 O ATOM 1024 CB SER A 73 2.510 4.770 -8.924 1.00 0.00 C ATOM 1025 OG SER A 73 1.551 4.466 -7.922 1.00 0.00 O ATOM 0 H SER A 73 5.222 6.071 -9.480 1.00 0.00 H new ATOM 0 HA SER A 73 2.675 6.857 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.004 4.947 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.170 3.915 -9.070 1.00 0.00 H new ATOM 0 HG SER A 73 1.036 3.677 -8.191 1.00 0.00 H new ATOM 1031 N CYS A 74 3.458 5.945 -6.130 1.00 0.00 N ATOM 1032 CA CYS A 74 3.940 5.512 -4.818 1.00 0.00 C ATOM 1033 C CYS A 74 3.429 4.094 -4.633 1.00 0.00 C ATOM 1034 O CYS A 74 2.224 3.880 -4.664 1.00 0.00 O ATOM 1035 CB CYS A 74 3.400 6.429 -3.699 1.00 0.00 C ATOM 1036 SG CYS A 74 3.610 5.789 -1.996 1.00 0.00 S ATOM 0 H CYS A 74 2.551 6.411 -6.098 1.00 0.00 H new ATOM 0 HA CYS A 74 5.028 5.559 -4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.899 7.395 -3.771 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.339 6.604 -3.876 1.00 0.00 H new ATOM 1041 N ASN A 75 4.325 3.118 -4.484 1.00 0.00 N ATOM 1042 CA ASN A 75 3.913 1.712 -4.286 1.00 0.00 C ATOM 1043 C ASN A 75 3.187 1.518 -2.929 1.00 0.00 C ATOM 1044 O ASN A 75 2.448 0.549 -2.736 1.00 0.00 O ATOM 1045 CB ASN A 75 5.142 0.784 -4.398 1.00 0.00 C ATOM 1046 CG ASN A 75 4.759 -0.692 -4.394 1.00 0.00 C ATOM 1047 OD1 ASN A 75 4.481 -1.266 -5.443 1.00 0.00 O ATOM 1048 ND2 ASN A 75 4.725 -1.319 -3.220 1.00 0.00 N ATOM 0 H ASN A 75 5.334 3.264 -4.495 1.00 0.00 H new ATOM 0 HA ASN A 75 3.202 1.448 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.684 1.013 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.821 0.983 -3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.463 -2.304 -3.175 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.961 -0.815 -2.365 1.00 0.00 H new ATOM 1055 N ILE A 76 3.398 2.468 -2.002 1.00 0.00 N ATOM 1056 CA ILE A 76 2.899 2.367 -0.624 1.00 0.00 C ATOM 1057 C ILE A 76 1.458 2.944 -0.487 1.00 0.00 C ATOM 1058 O ILE A 76 0.649 2.376 0.258 1.00 0.00 O ATOM 1059 CB ILE A 76 3.893 3.061 0.395 1.00 0.00 C ATOM 1060 CG1 ILE A 76 5.388 2.661 0.071 1.00 0.00 C ATOM 1061 CG2 ILE A 76 3.508 2.726 1.861 1.00 0.00 C ATOM 1062 CD1 ILE A 76 6.416 2.920 1.168 1.00 0.00 C ATOM 0 H ILE A 76 3.919 3.325 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 76 2.848 1.307 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 76 3.810 4.142 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.411 1.599 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.700 3.202 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.206 3.214 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.497 3.081 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.550 1.647 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.401 2.604 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.437 3.984 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.145 2.357 2.061 1.00 0.00 H new ATOM 1074 N CYS A 77 1.105 4.062 -1.209 1.00 0.00 N ATOM 1075 CA CYS A 77 -0.265 4.646 -1.100 1.00 0.00 C ATOM 1076 C CYS A 77 -0.736 5.357 -2.395 1.00 0.00 C ATOM 1077 O CYS A 77 -1.702 6.133 -2.369 1.00 0.00 O ATOM 1078 CB CYS A 77 -0.383 5.548 0.157 1.00 0.00 C ATOM 1079 SG CYS A 77 0.515 7.129 0.128 1.00 0.00 S ATOM 0 H CYS A 77 1.730 4.555 -1.847 1.00 0.00 H new ATOM 0 HA CYS A 77 -0.956 3.812 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.439 5.762 0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.035 4.977 1.017 1.00 0.00 H new ATOM 1084 N GLY A 78 -0.041 5.051 -3.513 1.00 0.00 N ATOM 1085 CA GLY A 78 -0.536 5.269 -4.882 1.00 0.00 C ATOM 1086 C GLY A 78 -1.105 6.637 -5.206 1.00 0.00 C ATOM 1087 O GLY A 78 -2.180 6.727 -5.803 1.00 0.00 O ATOM 0 H GLY A 78 0.892 4.640 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.284 5.073 -5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.308 4.526 -5.084 1.00 0.00 H new ATOM 1091 N LYS A 79 -0.401 7.704 -4.811 1.00 0.00 N ATOM 1092 CA LYS A 79 -0.792 9.081 -5.188 1.00 0.00 C ATOM 1093 C LYS A 79 -0.690 9.294 -6.718 1.00 0.00 C ATOM 1094 O LYS A 79 -1.634 9.815 -7.319 1.00 0.00 O ATOM 1095 CB LYS A 79 0.102 10.087 -4.423 1.00 0.00 C ATOM 1096 CG LYS A 79 -0.457 11.512 -4.191 1.00 0.00 C ATOM 1097 CD LYS A 79 -0.355 12.482 -5.413 1.00 0.00 C ATOM 1098 CE LYS A 79 -1.713 12.737 -6.100 1.00 0.00 C ATOM 1099 NZ LYS A 79 -1.583 13.566 -7.326 1.00 0.00 N ATOM 0 H LYS A 79 0.438 7.649 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.834 9.245 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.336 9.656 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.043 10.180 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.504 11.430 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.073 11.959 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.061 13.433 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.341 12.067 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.171 11.782 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.384 13.234 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.514 13.666 -7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.218 14.506 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.925 13.107 -7.988 1.00 0.00 H new ATOM 1113 N LYS A 80 0.431 8.825 -7.327 1.00 0.00 N ATOM 1114 CA LYS A 80 0.832 9.154 -8.717 1.00 0.00 C ATOM 1115 C LYS A 80 1.244 10.639 -8.795 1.00 0.00 C ATOM 1116 O LYS A 80 0.419 11.535 -8.609 1.00 0.00 O ATOM 1117 CB LYS A 80 -0.249 8.808 -9.807 1.00 0.00 C ATOM 1118 CG LYS A 80 -0.358 7.309 -10.208 1.00 0.00 C ATOM 1119 CD LYS A 80 -0.938 6.360 -9.119 1.00 0.00 C ATOM 1120 CE LYS A 80 -2.478 6.396 -9.011 1.00 0.00 C ATOM 1121 NZ LYS A 80 -2.992 7.684 -8.483 1.00 0.00 N ATOM 0 H LYS A 80 1.088 8.201 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 80 1.681 8.513 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.222 9.138 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.031 9.388 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.982 7.234 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.634 6.952 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.623 5.339 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.510 6.627 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.910 6.215 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.810 5.585 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.832 7.508 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.257 8.141 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.248 8.307 -9.276 1.00 0.00 H new ATOM 1135 N PHE A 81 2.540 10.869 -9.042 1.00 0.00 N ATOM 1136 CA PHE A 81 3.148 12.217 -9.109 1.00 0.00 C ATOM 1137 C PHE A 81 3.576 12.546 -10.545 1.00 0.00 C ATOM 1138 O PHE A 81 3.576 11.669 -11.412 1.00 0.00 O ATOM 1139 CB PHE A 81 4.364 12.298 -8.151 1.00 0.00 C ATOM 1140 CG PHE A 81 4.002 12.149 -6.674 1.00 0.00 C ATOM 1141 CD1 PHE A 81 3.856 10.892 -6.089 1.00 0.00 C ATOM 1142 CD2 PHE A 81 3.792 13.269 -5.872 1.00 0.00 C ATOM 1143 CE1 PHE A 81 3.525 10.763 -4.761 1.00 0.00 C ATOM 1144 CE2 PHE A 81 3.459 13.136 -4.543 1.00 0.00 C ATOM 1145 CZ PHE A 81 3.324 11.885 -3.991 1.00 0.00 C ATOM 0 H PHE A 81 3.211 10.118 -9.204 1.00 0.00 H new ATOM 0 HA PHE A 81 2.404 12.951 -8.798 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.078 11.520 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.866 13.255 -8.297 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.005 10.006 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.892 14.256 -6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.423 9.781 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.304 14.015 -3.934 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.059 11.782 -2.949 1.00 0.00 H new ATOM 1155 N GLU A 82 3.907 13.824 -10.787 1.00 0.00 N ATOM 1156 CA GLU A 82 4.427 14.290 -12.083 1.00 0.00 C ATOM 1157 C GLU A 82 5.841 13.742 -12.384 1.00 0.00 C ATOM 1158 O GLU A 82 6.182 13.509 -13.549 1.00 0.00 O ATOM 1159 CB GLU A 82 4.404 15.837 -12.117 1.00 0.00 C ATOM 1160 CG GLU A 82 4.822 16.474 -13.455 1.00 0.00 C ATOM 1161 CD GLU A 82 4.546 17.985 -13.507 1.00 0.00 C ATOM 1162 OE1 GLU A 82 5.377 18.771 -13.012 1.00 0.00 O ATOM 1163 OE2 GLU A 82 3.479 18.390 -14.014 1.00 0.00 O ATOM 0 H GLU A 82 3.822 14.564 -10.090 1.00 0.00 H new ATOM 0 HA GLU A 82 3.780 13.901 -12.869 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.397 16.174 -11.872 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.064 16.211 -11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.885 16.298 -13.620 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.288 15.983 -14.268 1.00 0.00 H new ATOM 1170 N LYS A 83 6.656 13.522 -11.333 1.00 0.00 N ATOM 1171 CA LYS A 83 8.001 12.963 -11.477 1.00 0.00 C ATOM 1172 C LYS A 83 8.284 11.962 -10.359 1.00 0.00 C ATOM 1173 O LYS A 83 7.691 12.032 -9.272 1.00 0.00 O ATOM 1174 CB LYS A 83 9.101 14.070 -11.513 1.00 0.00 C ATOM 1175 CG LYS A 83 9.141 15.036 -10.293 1.00 0.00 C ATOM 1176 CD LYS A 83 8.211 16.269 -10.438 1.00 0.00 C ATOM 1177 CE LYS A 83 8.656 17.218 -11.563 1.00 0.00 C ATOM 1178 NZ LYS A 83 7.813 18.431 -11.639 1.00 0.00 N ATOM 0 H LYS A 83 6.396 13.728 -10.369 1.00 0.00 H new ATOM 0 HA LYS A 83 8.035 12.446 -12.436 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.073 13.585 -11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.961 14.664 -12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.860 14.485 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.165 15.380 -10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.194 15.931 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.189 16.815 -9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.694 17.509 -11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.618 16.691 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.365 19.213 -12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.986 18.242 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.494 18.693 -10.684 1.00 0.00 H new ATOM 1192 N LYS A 84 9.212 11.044 -10.652 1.00 0.00 N ATOM 1193 CA LYS A 84 9.711 10.032 -9.702 1.00 0.00 C ATOM 1194 C LYS A 84 10.401 10.713 -8.512 1.00 0.00 C ATOM 1195 O LYS A 84 10.379 10.197 -7.398 1.00 0.00 O ATOM 1196 CB LYS A 84 10.712 9.094 -10.416 1.00 0.00 C ATOM 1197 CG LYS A 84 10.119 8.290 -11.590 1.00 0.00 C ATOM 1198 CD LYS A 84 11.179 7.492 -12.382 1.00 0.00 C ATOM 1199 CE LYS A 84 12.235 8.394 -13.039 1.00 0.00 C ATOM 1200 NZ LYS A 84 13.236 7.612 -13.796 1.00 0.00 N ATOM 0 H LYS A 84 9.648 10.979 -11.572 1.00 0.00 H new ATOM 0 HA LYS A 84 8.866 9.449 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.546 9.690 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.119 8.396 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.367 7.600 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.608 8.974 -12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.674 6.790 -11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.682 6.902 -13.152 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.743 9.099 -13.709 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.739 8.982 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.930 8.258 -14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.724 6.957 -13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.759 7.071 -14.545 1.00 0.00 H new ATOM 1214 N ASP A 85 11.008 11.882 -8.779 1.00 0.00 N ATOM 1215 CA ASP A 85 11.682 12.697 -7.760 1.00 0.00 C ATOM 1216 C ASP A 85 10.695 13.101 -6.650 1.00 0.00 C ATOM 1217 O ASP A 85 11.057 13.101 -5.474 1.00 0.00 O ATOM 1218 CB ASP A 85 12.320 13.950 -8.414 1.00 0.00 C ATOM 1219 CG ASP A 85 13.165 14.786 -7.430 1.00 0.00 C ATOM 1220 OD1 ASP A 85 14.340 14.435 -7.190 1.00 0.00 O ATOM 1221 OD2 ASP A 85 12.664 15.796 -6.892 1.00 0.00 O ATOM 0 H ASP A 85 11.044 12.288 -9.714 1.00 0.00 H new ATOM 0 HA ASP A 85 12.475 12.103 -7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.949 13.636 -9.247 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.531 14.577 -8.829 1.00 0.00 H new ATOM 1226 N SER A 86 9.431 13.420 -7.036 1.00 0.00 N ATOM 1227 CA SER A 86 8.362 13.742 -6.076 1.00 0.00 C ATOM 1228 C SER A 86 7.914 12.495 -5.287 1.00 0.00 C ATOM 1229 O SER A 86 7.470 12.621 -4.152 1.00 0.00 O ATOM 1230 CB SER A 86 7.156 14.384 -6.785 1.00 0.00 C ATOM 1231 OG SER A 86 7.496 15.629 -7.370 1.00 0.00 O ATOM 0 H SER A 86 9.135 13.459 -8.011 1.00 0.00 H new ATOM 0 HA SER A 86 8.772 14.461 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.785 13.709 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.346 14.527 -6.069 1.00 0.00 H new ATOM 0 HG SER A 86 6.708 16.008 -7.813 1.00 0.00 H new ATOM 1237 N VAL A 87 8.024 11.304 -5.912 1.00 0.00 N ATOM 1238 CA VAL A 87 7.592 10.018 -5.305 1.00 0.00 C ATOM 1239 C VAL A 87 8.572 9.618 -4.182 1.00 0.00 C ATOM 1240 O VAL A 87 8.163 9.203 -3.096 1.00 0.00 O ATOM 1241 CB VAL A 87 7.526 8.849 -6.371 1.00 0.00 C ATOM 1242 CG1 VAL A 87 7.084 7.511 -5.722 1.00 0.00 C ATOM 1243 CG2 VAL A 87 6.620 9.212 -7.575 1.00 0.00 C ATOM 0 H VAL A 87 8.413 11.202 -6.849 1.00 0.00 H new ATOM 0 HA VAL A 87 6.590 10.168 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 87 8.537 8.715 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.050 6.731 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.796 7.230 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.095 7.630 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.604 8.382 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.607 9.408 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.011 10.101 -8.069 1.00 0.00 H new ATOM 1253 N VAL A 88 9.865 9.780 -4.493 1.00 0.00 N ATOM 1254 CA VAL A 88 10.996 9.449 -3.605 1.00 0.00 C ATOM 1255 C VAL A 88 11.055 10.471 -2.457 1.00 0.00 C ATOM 1256 O VAL A 88 11.285 10.114 -1.292 1.00 0.00 O ATOM 1257 CB VAL A 88 12.350 9.428 -4.421 1.00 0.00 C ATOM 1258 CG1 VAL A 88 13.576 9.217 -3.494 1.00 0.00 C ATOM 1259 CG2 VAL A 88 12.295 8.344 -5.539 1.00 0.00 C ATOM 0 H VAL A 88 10.165 10.155 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 88 10.850 8.455 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 88 12.471 10.403 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.487 9.208 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.626 10.028 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.477 8.266 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.235 8.343 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 88 12.138 7.364 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.474 8.566 -6.221 1.00 0.00 H new ATOM 1269 N ALA A 89 10.764 11.741 -2.815 1.00 0.00 N ATOM 1270 CA ALA A 89 10.691 12.855 -1.853 1.00 0.00 C ATOM 1271 C ALA A 89 9.520 12.631 -0.891 1.00 0.00 C ATOM 1272 O ALA A 89 9.613 12.903 0.306 1.00 0.00 O ATOM 1273 CB ALA A 89 10.528 14.205 -2.580 1.00 0.00 C ATOM 0 H ALA A 89 10.574 12.019 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 89 11.623 12.885 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.477 15.009 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.381 14.369 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.611 14.193 -3.169 1.00 0.00 H new ATOM 1279 N HIS A 90 8.423 12.100 -1.456 1.00 0.00 N ATOM 1280 CA HIS A 90 7.185 11.801 -0.708 1.00 0.00 C ATOM 1281 C HIS A 90 7.364 10.583 0.213 1.00 0.00 C ATOM 1282 O HIS A 90 6.872 10.575 1.322 1.00 0.00 O ATOM 1283 CB HIS A 90 6.007 11.576 -1.699 1.00 0.00 C ATOM 1284 CG HIS A 90 4.862 10.755 -1.167 1.00 0.00 C ATOM 1285 ND1 HIS A 90 3.872 11.229 -0.339 1.00 0.00 N ATOM 1286 CD2 HIS A 90 4.594 9.441 -1.349 1.00 0.00 C ATOM 1287 CE1 HIS A 90 3.057 10.208 -0.053 1.00 0.00 C ATOM 1288 NE2 HIS A 90 3.456 9.105 -0.648 1.00 0.00 N ATOM 0 H HIS A 90 8.367 11.864 -2.447 1.00 0.00 H new ATOM 0 HA HIS A 90 6.955 12.657 -0.074 1.00 0.00 H new ATOM 0 HB2 HIS A 90 5.622 12.549 -2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.395 11.090 -2.594 1.00 0.00 H new ATOM 0 HD1 HIS A 90 3.776 12.187 -0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 90 5.180 8.762 -1.950 1.00 0.00 H new ATOM 0 HE1 HIS A 90 2.187 10.280 0.582 1.00 0.00 H new ATOM 1296 N LYS A 91 8.052 9.556 -0.287 1.00 0.00 N ATOM 1297 CA LYS A 91 8.201 8.257 0.398 1.00 0.00 C ATOM 1298 C LYS A 91 9.118 8.427 1.618 1.00 0.00 C ATOM 1299 O LYS A 91 8.872 7.853 2.681 1.00 0.00 O ATOM 1300 CB LYS A 91 8.736 7.197 -0.610 1.00 0.00 C ATOM 1301 CG LYS A 91 8.850 5.740 -0.071 1.00 0.00 C ATOM 1302 CD LYS A 91 10.196 5.418 0.620 1.00 0.00 C ATOM 1303 CE LYS A 91 11.412 5.640 -0.291 1.00 0.00 C ATOM 1304 NZ LYS A 91 12.685 5.398 0.421 1.00 0.00 N ATOM 0 H LYS A 91 8.529 9.596 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 91 7.237 7.901 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.082 7.191 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.721 7.515 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.040 5.563 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.706 5.047 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.298 6.040 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.186 4.381 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.346 4.976 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.398 6.661 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.482 5.558 -0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.760 6.049 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.710 4.416 0.764 1.00 0.00 H new ATOM 1318 N ALA A 92 10.157 9.252 1.440 1.00 0.00 N ATOM 1319 CA ALA A 92 11.109 9.590 2.502 1.00 0.00 C ATOM 1320 C ALA A 92 10.441 10.433 3.613 1.00 0.00 C ATOM 1321 O ALA A 92 10.827 10.352 4.784 1.00 0.00 O ATOM 1322 CB ALA A 92 12.322 10.324 1.910 1.00 0.00 C ATOM 0 H ALA A 92 10.361 9.706 0.550 1.00 0.00 H new ATOM 0 HA ALA A 92 11.451 8.662 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.023 10.570 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.815 9.682 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.990 11.241 1.422 1.00 0.00 H new ATOM 1328 N LYS A 93 9.412 11.206 3.227 1.00 0.00 N ATOM 1329 CA LYS A 93 8.745 12.179 4.103 1.00 0.00 C ATOM 1330 C LYS A 93 7.537 11.539 4.835 1.00 0.00 C ATOM 1331 O LYS A 93 7.371 11.704 6.051 1.00 0.00 O ATOM 1332 CB LYS A 93 8.299 13.379 3.220 1.00 0.00 C ATOM 1333 CG LYS A 93 7.296 14.330 3.881 1.00 0.00 C ATOM 1334 CD LYS A 93 6.974 15.573 3.021 1.00 0.00 C ATOM 1335 CE LYS A 93 5.904 16.472 3.664 1.00 0.00 C ATOM 1336 NZ LYS A 93 6.296 16.939 5.022 1.00 0.00 N ATOM 0 H LYS A 93 9.017 11.171 2.287 1.00 0.00 H new ATOM 0 HA LYS A 93 9.431 12.519 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.183 13.949 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.859 12.991 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.372 13.788 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.693 14.655 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.885 16.151 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.631 15.252 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.726 17.336 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.964 15.924 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.592 17.621 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.341 16.126 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.229 17.397 4.976 1.00 0.00 H new ATOM 1350 N SER A 94 6.733 10.788 4.073 1.00 0.00 N ATOM 1351 CA SER A 94 5.423 10.270 4.494 1.00 0.00 C ATOM 1352 C SER A 94 5.545 8.847 5.064 1.00 0.00 C ATOM 1353 O SER A 94 4.689 8.409 5.850 1.00 0.00 O ATOM 1354 CB SER A 94 4.454 10.285 3.276 1.00 0.00 C ATOM 1355 OG SER A 94 3.170 9.761 3.577 1.00 0.00 O ATOM 0 H SER A 94 6.981 10.516 3.122 1.00 0.00 H new ATOM 0 HA SER A 94 5.029 10.908 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.347 11.309 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.894 9.707 2.463 1.00 0.00 H new ATOM 0 HG SER A 94 2.560 9.941 2.831 1.00 0.00 H new ATOM 1361 N HIS A 95 6.622 8.124 4.668 1.00 0.00 N ATOM 1362 CA HIS A 95 6.834 6.706 5.073 1.00 0.00 C ATOM 1363 C HIS A 95 8.263 6.443 5.664 1.00 0.00 C ATOM 1364 O HIS A 95 8.939 5.503 5.219 1.00 0.00 O ATOM 1365 CB HIS A 95 6.577 5.766 3.846 1.00 0.00 C ATOM 1366 CG HIS A 95 5.305 6.048 3.093 1.00 0.00 C ATOM 1367 ND1 HIS A 95 4.069 6.147 3.687 1.00 0.00 N ATOM 1368 CD2 HIS A 95 5.102 6.276 1.767 1.00 0.00 C ATOM 1369 CE1 HIS A 95 3.179 6.424 2.735 1.00 0.00 C ATOM 1370 NE2 HIS A 95 3.756 6.510 1.551 1.00 0.00 N ATOM 0 H HIS A 95 7.359 8.497 4.069 1.00 0.00 H new ATOM 0 HA HIS A 95 6.123 6.489 5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.417 5.852 3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.555 4.734 4.195 1.00 0.00 H new ATOM 0 HD1 HIS A 95 3.869 6.029 4.680 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.868 6.274 1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 95 2.122 6.561 2.910 1.00 0.00 H new ATOM 1378 N PRO A 96 8.775 7.246 6.670 1.00 0.00 N ATOM 1379 CA PRO A 96 9.989 6.864 7.428 1.00 0.00 C ATOM 1380 C PRO A 96 9.665 5.817 8.530 1.00 0.00 C ATOM 1381 O PRO A 96 10.441 4.897 8.760 1.00 0.00 O ATOM 1382 CB PRO A 96 10.485 8.209 8.004 1.00 0.00 C ATOM 1383 CG PRO A 96 9.243 9.032 8.179 1.00 0.00 C ATOM 1384 CD PRO A 96 8.273 8.585 7.103 1.00 0.00 C ATOM 0 HA PRO A 96 10.748 6.376 6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.002 8.066 8.953 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.189 8.694 7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.817 8.884 9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.466 10.095 8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.256 8.520 7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.254 9.288 6.271 1.00 0.00 H new ATOM 1392 N GLU A 97 8.497 5.964 9.187 1.00 0.00 N ATOM 1393 CA GLU A 97 8.006 5.031 10.193 1.00 0.00 C ATOM 1394 C GLU A 97 6.892 4.198 9.558 1.00 0.00 C ATOM 1395 O GLU A 97 5.752 4.651 9.423 1.00 0.00 O ATOM 1396 CB GLU A 97 7.489 5.786 11.456 1.00 0.00 C ATOM 1397 CG GLU A 97 6.970 4.871 12.589 1.00 0.00 C ATOM 1398 CD GLU A 97 8.048 3.927 13.157 1.00 0.00 C ATOM 1399 OE1 GLU A 97 8.950 4.411 13.880 1.00 0.00 O ATOM 1400 OE2 GLU A 97 8.013 2.706 12.879 1.00 0.00 O ATOM 0 H GLU A 97 7.867 6.749 9.023 1.00 0.00 H new ATOM 0 HA GLU A 97 8.816 4.382 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.296 6.405 11.848 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.687 6.461 11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.579 5.491 13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.138 4.276 12.213 1.00 0.00 H new ATOM 1407 N VAL A 98 7.275 3.020 9.098 1.00 0.00 N ATOM 1408 CA VAL A 98 6.345 1.983 8.629 1.00 0.00 C ATOM 1409 C VAL A 98 5.938 1.103 9.845 1.00 0.00 C ATOM 1410 O VAL A 98 6.771 0.307 10.319 1.00 0.00 O ATOM 1411 CB VAL A 98 6.984 1.113 7.468 1.00 0.00 C ATOM 1412 CG1 VAL A 98 6.010 0.009 6.962 1.00 0.00 C ATOM 1413 CG2 VAL A 98 7.456 2.022 6.298 1.00 0.00 C ATOM 1414 OXT VAL A 98 4.800 1.249 10.348 1.00 0.00 O ATOM 0 H VAL A 98 8.255 2.743 9.035 1.00 0.00 H new ATOM 0 HA VAL A 98 5.457 2.452 8.206 1.00 0.00 H new ATOM 0 HB VAL A 98 7.854 0.604 7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.489 -0.562 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.756 -0.658 7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.102 0.473 6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.892 1.406 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.604 2.572 5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.204 2.726 6.663 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 15.467 0.249 3.670 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 5.504 0.370 -14.318 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 2.867 7.164 -0.205 1.00 0.00 ZN