USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.53) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -51:sc= -0.0469 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.08! USER MOD Single : A 30 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.13) USER MOD Single : A 31 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.24) USER MOD Single : A 34 SER OG : rot 50:sc= -3.11! USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.0985 (180deg=-0.523) USER MOD Single : A 38 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-0.038) USER MOD Single : A 40 SER OG : rot 180:sc= -1.15 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.8) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=-0.00568 X(o=-0.0057,f=0) USER MOD Single : A 51 MET CE :methyl 175:sc= -0.493 (180deg=-0.58) USER MOD Single : A 52 MET CE :methyl -158:sc= -8.4! (180deg=-9.62!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.5!) USER MOD Single : A 58 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.14) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.776 K(o=-0.78,f=-3.9!) USER MOD Single : A 66 CYS SG : rot 76:sc= 0.555 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 15:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 9.172 -3.878 -6.775 1.00 0.00 N ATOM 2 CA LEU A 15 8.303 -4.794 -7.493 1.00 0.00 C ATOM 3 C LEU A 15 7.178 -5.257 -6.565 1.00 0.00 C ATOM 4 O LEU A 15 6.006 -4.990 -6.825 1.00 0.00 O ATOM 5 CB LEU A 15 9.116 -5.942 -8.095 1.00 0.00 C ATOM 6 CG LEU A 15 10.587 -6.011 -7.682 1.00 0.00 C ATOM 7 CD1 LEU A 15 11.252 -7.276 -8.228 1.00 0.00 C ATOM 8 CD2 LEU A 15 11.335 -4.743 -8.104 1.00 0.00 C ATOM 0 HA LEU A 15 7.832 -4.290 -8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.638 -6.882 -7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.067 -5.865 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 15 10.634 -6.067 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.297 -7.300 -7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.738 -8.155 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.195 -7.276 -9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.379 -4.818 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.281 -4.632 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.879 -3.876 -7.627 1.00 0.00 H new ATOM 19 N ARG A 16 7.574 -5.942 -5.503 1.00 0.00 N ATOM 20 CA ARG A 16 6.613 -6.444 -4.536 1.00 0.00 C ATOM 21 C ARG A 16 5.771 -5.295 -3.979 1.00 0.00 C ATOM 22 O ARG A 16 4.544 -5.380 -3.939 1.00 0.00 O ATOM 23 CB ARG A 16 7.317 -7.158 -3.380 1.00 0.00 C ATOM 24 CG ARG A 16 7.215 -8.677 -3.530 1.00 0.00 C ATOM 25 CD ARG A 16 8.482 -9.253 -4.165 1.00 0.00 C ATOM 26 NE ARG A 16 8.219 -10.619 -4.670 1.00 0.00 N ATOM 27 CZ ARG A 16 9.166 -11.429 -5.191 1.00 0.00 C ATOM 28 NH1 ARG A 16 10.448 -11.016 -5.277 1.00 0.00 N ATOM 29 NH2 ARG A 16 8.819 -12.630 -5.611 1.00 0.00 N ATOM 0 H ARG A 16 8.547 -6.161 -5.291 1.00 0.00 H new ATOM 0 HA ARG A 16 5.967 -7.157 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.365 -6.862 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.872 -6.852 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.055 -9.132 -2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.350 -8.928 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.813 -8.612 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.288 -9.276 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 16 7.263 -10.971 -4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.708 -10.086 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.157 -11.634 -5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.848 -12.934 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.522 -13.254 -6.007 1.00 0.00 H new ATOM 39 N GLU A 17 6.463 -4.245 -3.561 1.00 0.00 N ATOM 40 CA GLU A 17 5.794 -3.079 -3.007 1.00 0.00 C ATOM 41 C GLU A 17 5.146 -2.259 -4.125 1.00 0.00 C ATOM 42 O GLU A 17 4.068 -1.693 -3.941 1.00 0.00 O ATOM 43 CB GLU A 17 6.767 -2.224 -2.194 1.00 0.00 C ATOM 44 CG GLU A 17 7.252 -2.976 -0.952 1.00 0.00 C ATOM 45 CD GLU A 17 8.337 -3.991 -1.317 1.00 0.00 C ATOM 46 OE1 GLU A 17 9.189 -3.708 -2.171 1.00 0.00 O ATOM 47 OE2 GLU A 17 8.276 -5.108 -0.675 1.00 0.00 O ATOM 0 H GLU A 17 7.480 -4.177 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 17 5.010 -3.420 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.621 -1.949 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.279 -1.297 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.643 -2.267 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.413 -3.488 -0.481 1.00 0.00 H new ATOM 53 N ARG A 18 5.828 -2.220 -5.260 1.00 0.00 N ATOM 54 CA ARG A 18 5.332 -1.479 -6.406 1.00 0.00 C ATOM 55 C ARG A 18 3.926 -1.955 -6.779 1.00 0.00 C ATOM 56 O ARG A 18 3.045 -1.143 -7.056 1.00 0.00 O ATOM 57 CB ARG A 18 6.256 -1.648 -7.614 1.00 0.00 C ATOM 58 CG ARG A 18 6.856 -0.305 -8.037 1.00 0.00 C ATOM 59 CD ARG A 18 7.931 -0.499 -9.108 1.00 0.00 C ATOM 60 NE ARG A 18 8.442 0.816 -9.557 1.00 0.00 N ATOM 61 CZ ARG A 18 7.767 1.652 -10.375 1.00 0.00 C ATOM 62 NH1 ARG A 18 6.547 1.316 -10.841 1.00 0.00 N ATOM 63 NH2 ARG A 18 8.320 2.802 -10.710 1.00 0.00 N ATOM 0 H ARG A 18 6.721 -2.690 -5.410 1.00 0.00 H new ATOM 0 HA ARG A 18 5.302 -0.425 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.056 -2.347 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.699 -2.079 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.069 0.345 -8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.288 0.194 -7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.749 -1.099 -8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.517 -1.046 -9.955 1.00 0.00 H new ATOM 0 HE ARG A 18 9.362 1.109 -9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.128 0.425 -10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.044 1.953 -11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.243 3.047 -10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.824 3.446 -11.327 1.00 0.00 H new ATOM 73 N GLN A 19 3.761 -3.269 -6.772 1.00 0.00 N ATOM 74 CA GLN A 19 2.477 -3.863 -7.106 1.00 0.00 C ATOM 75 C GLN A 19 1.446 -3.541 -6.024 1.00 0.00 C ATOM 76 O GLN A 19 0.266 -3.361 -6.320 1.00 0.00 O ATOM 77 CB GLN A 19 2.608 -5.375 -7.306 1.00 0.00 C ATOM 78 CG GLN A 19 3.150 -6.050 -6.045 1.00 0.00 C ATOM 79 CD GLN A 19 2.783 -7.536 -6.018 1.00 0.00 C ATOM 80 OE1 GLN A 19 2.707 -8.201 -7.037 1.00 0.00 O ATOM 81 NE2 GLN A 19 2.561 -8.016 -4.798 1.00 0.00 N ATOM 0 H GLN A 19 4.494 -3.939 -6.541 1.00 0.00 H new ATOM 0 HA GLN A 19 2.134 -3.433 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.636 -5.797 -7.560 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.273 -5.578 -8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.234 -5.938 -6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.746 -5.556 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.642 -7.403 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.310 -8.997 -4.674 1.00 0.00 H new ATOM 88 N VAL A 20 1.928 -3.477 -4.791 1.00 0.00 N ATOM 89 CA VAL A 20 1.063 -3.180 -3.663 1.00 0.00 C ATOM 90 C VAL A 20 0.750 -1.682 -3.647 1.00 0.00 C ATOM 91 O VAL A 20 -0.405 -1.287 -3.502 1.00 0.00 O ATOM 92 CB VAL A 20 1.708 -3.670 -2.365 1.00 0.00 C ATOM 93 CG1 VAL A 20 0.810 -3.377 -1.162 1.00 0.00 C ATOM 94 CG2 VAL A 20 2.044 -5.161 -2.449 1.00 0.00 C ATOM 0 H VAL A 20 2.908 -3.626 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 20 0.115 -3.710 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 20 2.641 -3.124 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.292 -3.735 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.644 -2.303 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.146 -3.884 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.501 -5.484 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.131 -5.731 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.739 -5.332 -3.271 1.00 0.00 H new ATOM 104 N LEU A 21 1.800 -0.889 -3.798 1.00 0.00 N ATOM 105 CA LEU A 21 1.654 0.557 -3.803 1.00 0.00 C ATOM 106 C LEU A 21 0.622 0.956 -4.860 1.00 0.00 C ATOM 107 O LEU A 21 0.026 2.029 -4.777 1.00 0.00 O ATOM 108 CB LEU A 21 3.013 1.234 -3.983 1.00 0.00 C ATOM 109 CG LEU A 21 3.432 2.203 -2.875 1.00 0.00 C ATOM 110 CD1 LEU A 21 4.522 3.157 -3.365 1.00 0.00 C ATOM 111 CD2 LEU A 21 2.221 2.952 -2.317 1.00 0.00 C ATOM 0 H LEU A 21 2.757 -1.221 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 21 1.278 0.905 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.775 0.459 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.004 1.776 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 21 3.857 1.624 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.802 3.835 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.395 2.583 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.147 3.734 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.545 3.634 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.744 3.520 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.509 2.237 -1.905 1.00 0.00 H new ATOM 122 N LYS A 22 0.445 0.071 -5.831 1.00 0.00 N ATOM 123 CA LYS A 22 -0.503 0.318 -6.903 1.00 0.00 C ATOM 124 C LYS A 22 -1.926 0.121 -6.378 1.00 0.00 C ATOM 125 O LYS A 22 -2.766 1.012 -6.500 1.00 0.00 O ATOM 126 CB LYS A 22 -0.172 -0.547 -8.121 1.00 0.00 C ATOM 127 CG LYS A 22 0.054 0.317 -9.363 1.00 0.00 C ATOM 128 CD LYS A 22 0.484 -0.540 -10.556 1.00 0.00 C ATOM 129 CE LYS A 22 0.098 0.128 -11.878 1.00 0.00 C ATOM 130 NZ LYS A 22 0.734 -0.574 -13.016 1.00 0.00 N ATOM 0 H LYS A 22 0.942 -0.817 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.430 1.351 -7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.720 -1.140 -7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.986 -1.249 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.862 0.855 -9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.818 1.067 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.562 -0.698 -10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.016 -1.522 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.986 0.117 -11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.407 1.173 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.463 -0.109 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.768 -0.542 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.419 -1.565 -13.033 1.00 0.00 H new ATOM 139 N LEU A 23 -2.153 -1.051 -5.802 1.00 0.00 N ATOM 140 CA LEU A 23 -3.459 -1.376 -5.255 1.00 0.00 C ATOM 141 C LEU A 23 -3.706 -0.537 -4.000 1.00 0.00 C ATOM 142 O LEU A 23 -4.779 0.042 -3.837 1.00 0.00 O ATOM 143 CB LEU A 23 -3.582 -2.883 -5.021 1.00 0.00 C ATOM 144 CG LEU A 23 -2.753 -3.452 -3.870 1.00 0.00 C ATOM 145 CD1 LEU A 23 -3.523 -3.381 -2.550 1.00 0.00 C ATOM 146 CD2 LEU A 23 -2.283 -4.875 -4.182 1.00 0.00 C ATOM 0 H LEU A 23 -1.454 -1.787 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.244 -1.122 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.631 -3.118 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.295 -3.398 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.861 -2.835 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.910 -3.792 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.765 -2.342 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.444 -3.958 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.695 -5.256 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.149 -5.518 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.669 -4.866 -5.083 1.00 0.00 H new ATOM 157 N ILE A 24 -2.694 -0.497 -3.146 1.00 0.00 N ATOM 158 CA ILE A 24 -2.788 0.262 -1.910 1.00 0.00 C ATOM 159 C ILE A 24 -3.301 1.670 -2.220 1.00 0.00 C ATOM 160 O ILE A 24 -4.061 2.242 -1.439 1.00 0.00 O ATOM 161 CB ILE A 24 -1.450 0.244 -1.167 1.00 0.00 C ATOM 162 CG1 ILE A 24 -1.663 0.113 0.342 1.00 0.00 C ATOM 163 CG2 ILE A 24 -0.609 1.471 -1.525 1.00 0.00 C ATOM 164 CD1 ILE A 24 -0.387 -0.366 1.036 1.00 0.00 C ATOM 0 H ILE A 24 -1.805 -0.978 -3.285 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.508 -0.198 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.891 -0.634 -1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.967 1.075 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.474 -0.589 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.337 1.434 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.414 1.478 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.150 2.376 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.566 -0.451 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.100 -1.339 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.415 0.350 0.857 1.00 0.00 H new ATOM 175 N ASP A 25 -2.866 2.187 -3.358 1.00 0.00 N ATOM 176 CA ASP A 25 -3.271 3.517 -3.779 1.00 0.00 C ATOM 177 C ASP A 25 -4.779 3.526 -4.043 1.00 0.00 C ATOM 178 O ASP A 25 -5.472 4.469 -3.666 1.00 0.00 O ATOM 179 CB ASP A 25 -2.563 3.924 -5.074 1.00 0.00 C ATOM 180 CG ASP A 25 -3.223 5.077 -5.836 1.00 0.00 C ATOM 181 OD1 ASP A 25 -4.012 5.847 -5.270 1.00 0.00 O ATOM 182 OD2 ASP A 25 -2.893 5.166 -7.079 1.00 0.00 O ATOM 0 H ASP A 25 -2.236 1.709 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.006 4.217 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.537 4.205 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.512 3.056 -5.731 1.00 0.00 H new ATOM 187 N GLU A 26 -5.241 2.465 -4.687 1.00 0.00 N ATOM 188 CA GLU A 26 -6.654 2.340 -5.004 1.00 0.00 C ATOM 189 C GLU A 26 -7.484 2.281 -3.720 1.00 0.00 C ATOM 190 O GLU A 26 -8.366 3.111 -3.507 1.00 0.00 O ATOM 191 CB GLU A 26 -6.912 1.113 -5.880 1.00 0.00 C ATOM 192 CG GLU A 26 -8.408 0.930 -6.142 1.00 0.00 C ATOM 193 CD GLU A 26 -8.904 -0.404 -5.579 1.00 0.00 C ATOM 194 OE1 GLU A 26 -8.910 -0.596 -4.353 1.00 0.00 O ATOM 195 OE2 GLU A 26 -9.294 -1.258 -6.463 1.00 0.00 O ATOM 0 H GLU A 26 -4.663 1.684 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.959 3.221 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.384 1.221 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.513 0.223 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.964 1.750 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.601 0.971 -7.214 1.00 0.00 H new ATOM 201 N GLY A 27 -7.171 1.290 -2.897 1.00 0.00 N ATOM 202 CA GLY A 27 -7.876 1.112 -1.638 1.00 0.00 C ATOM 203 C GLY A 27 -8.006 -0.371 -1.288 1.00 0.00 C ATOM 204 O GLY A 27 -8.606 -1.139 -2.037 1.00 0.00 O ATOM 0 H GLY A 27 -6.439 0.603 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.343 1.632 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.867 1.562 -1.705 1.00 0.00 H new ATOM 208 N TYR A 28 -7.432 -0.730 -0.148 1.00 0.00 N ATOM 209 CA TYR A 28 -7.477 -2.108 0.310 1.00 0.00 C ATOM 210 C TYR A 28 -7.151 -2.199 1.802 1.00 0.00 C ATOM 211 O TYR A 28 -7.791 -2.951 2.537 1.00 0.00 O ATOM 212 CB TYR A 28 -6.399 -2.849 -0.481 1.00 0.00 C ATOM 213 CG TYR A 28 -6.777 -3.129 -1.937 1.00 0.00 C ATOM 214 CD1 TYR A 28 -6.489 -2.196 -2.915 1.00 0.00 C ATOM 215 CD2 TYR A 28 -7.404 -4.311 -2.274 1.00 0.00 C ATOM 216 CE1 TYR A 28 -6.844 -2.460 -4.286 1.00 0.00 C ATOM 217 CE2 TYR A 28 -7.759 -4.573 -3.644 1.00 0.00 C ATOM 218 CZ TYR A 28 -7.462 -3.635 -4.582 1.00 0.00 C ATOM 219 OH TYR A 28 -7.798 -3.882 -5.877 1.00 0.00 O ATOM 0 H TYR A 28 -6.934 -0.091 0.471 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.470 -2.531 0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.481 -2.262 -0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.184 -3.795 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.999 -1.270 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.629 -5.040 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.624 -1.741 -5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.250 -5.494 -3.921 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.300 -3.120 -6.236 1.00 0.00 H new ATOM 228 N THR A 29 -6.158 -1.421 2.208 1.00 0.00 N ATOM 229 CA THR A 29 -5.740 -1.405 3.600 1.00 0.00 C ATOM 230 C THR A 29 -4.818 -2.591 3.892 1.00 0.00 C ATOM 231 O THR A 29 -3.600 -2.429 3.973 1.00 0.00 O ATOM 232 CB THR A 29 -6.997 -1.384 4.471 1.00 0.00 C ATOM 233 OG1 THR A 29 -7.936 -0.633 3.706 1.00 0.00 O ATOM 234 CG2 THR A 29 -6.811 -0.561 5.747 1.00 0.00 C ATOM 0 H THR A 29 -5.631 -0.797 1.597 1.00 0.00 H new ATOM 0 HA THR A 29 -5.155 -0.514 3.828 1.00 0.00 H new ATOM 0 HB THR A 29 -7.273 -2.405 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.782 -0.571 4.196 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.732 -0.579 6.329 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.000 -0.985 6.339 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.568 0.468 5.484 1.00 0.00 H new ATOM 242 N ASN A 30 -5.432 -3.754 4.045 1.00 0.00 N ATOM 243 CA ASN A 30 -4.681 -4.966 4.327 1.00 0.00 C ATOM 244 C ASN A 30 -5.494 -6.182 3.877 1.00 0.00 C ATOM 245 O ASN A 30 -5.090 -6.896 2.962 1.00 0.00 O ATOM 246 CB ASN A 30 -4.411 -5.109 5.827 1.00 0.00 C ATOM 247 CG ASN A 30 -3.146 -4.346 6.230 1.00 0.00 C ATOM 248 OD1 ASN A 30 -3.182 -3.386 6.982 1.00 0.00 O ATOM 249 ND2 ASN A 30 -2.029 -4.825 5.689 1.00 0.00 N ATOM 0 H ASN A 30 -6.442 -3.884 3.979 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.733 -4.907 3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.264 -4.731 6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.301 -6.163 6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.133 -4.385 5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.069 -5.632 5.067 1.00 0.00 H new ATOM 255 N HIS A 31 -6.624 -6.376 4.540 1.00 0.00 N ATOM 256 CA HIS A 31 -7.496 -7.492 4.218 1.00 0.00 C ATOM 257 C HIS A 31 -7.746 -7.533 2.710 1.00 0.00 C ATOM 258 O HIS A 31 -8.060 -8.585 2.156 1.00 0.00 O ATOM 259 CB HIS A 31 -8.791 -7.422 5.031 1.00 0.00 C ATOM 260 CG HIS A 31 -9.720 -8.592 4.811 1.00 0.00 C ATOM 261 ND1 HIS A 31 -11.035 -8.597 5.242 1.00 0.00 N ATOM 262 CD2 HIS A 31 -9.511 -9.792 4.199 1.00 0.00 C ATOM 263 CE1 HIS A 31 -11.583 -9.754 4.900 1.00 0.00 C ATOM 264 NE2 HIS A 31 -10.637 -10.495 4.255 1.00 0.00 N ATOM 0 H HIS A 31 -6.956 -5.780 5.298 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.010 -8.427 4.495 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.540 -7.365 6.090 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.317 -6.501 4.778 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -8.586 -10.116 3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.601 -10.057 5.097 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.772 -11.433 3.878 1.00 0.00 H new ATOM 271 N GLY A 32 -7.595 -6.372 2.088 1.00 0.00 N ATOM 272 CA GLY A 32 -7.801 -6.261 0.654 1.00 0.00 C ATOM 273 C GLY A 32 -6.527 -6.625 -0.112 1.00 0.00 C ATOM 274 O GLY A 32 -6.567 -7.421 -1.049 1.00 0.00 O ATOM 0 H GLY A 32 -7.333 -5.502 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.614 -6.919 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.102 -5.244 0.404 1.00 0.00 H new ATOM 278 N ILE A 33 -5.427 -6.024 0.315 1.00 0.00 N ATOM 279 CA ILE A 33 -4.142 -6.275 -0.318 1.00 0.00 C ATOM 280 C ILE A 33 -3.882 -7.782 -0.352 1.00 0.00 C ATOM 281 O ILE A 33 -3.416 -8.312 -1.361 1.00 0.00 O ATOM 282 CB ILE A 33 -3.038 -5.474 0.375 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.472 -4.025 0.604 1.00 0.00 C ATOM 284 CG2 ILE A 33 -1.725 -5.563 -0.407 1.00 0.00 C ATOM 285 CD1 ILE A 33 -2.258 -3.101 0.718 1.00 0.00 C ATOM 0 H ILE A 33 -5.398 -5.364 1.092 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.152 -5.930 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.860 -5.914 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.107 -3.697 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.070 -3.960 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.956 -4.985 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.412 -6.605 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.871 -5.162 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.594 -2.077 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.638 -3.417 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.676 -3.150 -0.202 1.00 0.00 H new ATOM 296 N SER A 34 -4.193 -8.430 0.760 1.00 0.00 N ATOM 297 CA SER A 34 -3.997 -9.865 0.870 1.00 0.00 C ATOM 298 C SER A 34 -4.999 -10.600 -0.024 1.00 0.00 C ATOM 299 O SER A 34 -4.659 -11.601 -0.651 1.00 0.00 O ATOM 300 CB SER A 34 -4.140 -10.331 2.321 1.00 0.00 C ATOM 301 OG SER A 34 -2.888 -10.344 3.002 1.00 0.00 O ATOM 0 H SER A 34 -4.580 -7.987 1.594 1.00 0.00 H new ATOM 0 HA SER A 34 -2.985 -10.098 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.832 -9.673 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.574 -11.331 2.340 1.00 0.00 H new ATOM 0 HG SER A 34 -2.434 -9.485 2.869 1.00 0.00 H new ATOM 306 N GLU A 35 -6.215 -10.073 -0.053 1.00 0.00 N ATOM 307 CA GLU A 35 -7.268 -10.666 -0.859 1.00 0.00 C ATOM 308 C GLU A 35 -6.961 -10.486 -2.347 1.00 0.00 C ATOM 309 O GLU A 35 -7.454 -11.245 -3.181 1.00 0.00 O ATOM 310 CB GLU A 35 -8.632 -10.069 -0.504 1.00 0.00 C ATOM 311 CG GLU A 35 -9.399 -10.985 0.452 1.00 0.00 C ATOM 312 CD GLU A 35 -10.866 -11.109 0.034 1.00 0.00 C ATOM 313 OE1 GLU A 35 -11.416 -12.220 0.027 1.00 0.00 O ATOM 314 OE2 GLU A 35 -11.435 -9.997 -0.289 1.00 0.00 O ATOM 0 H GLU A 35 -6.494 -9.242 0.469 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.308 -11.734 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.496 -9.090 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.214 -9.917 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.936 -11.972 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.338 -10.591 1.466 1.00 0.00 H new ATOM 320 N LYS A 36 -6.151 -9.479 -2.634 1.00 0.00 N ATOM 321 CA LYS A 36 -5.773 -9.190 -4.008 1.00 0.00 C ATOM 322 C LYS A 36 -4.484 -9.941 -4.347 1.00 0.00 C ATOM 323 O LYS A 36 -4.437 -10.696 -5.316 1.00 0.00 O ATOM 324 CB LYS A 36 -5.682 -7.679 -4.232 1.00 0.00 C ATOM 325 CG LYS A 36 -5.273 -7.363 -5.673 1.00 0.00 C ATOM 326 CD LYS A 36 -5.181 -5.853 -5.897 1.00 0.00 C ATOM 327 CE LYS A 36 -5.006 -5.528 -7.382 1.00 0.00 C ATOM 328 NZ LYS A 36 -4.191 -6.571 -8.047 1.00 0.00 N ATOM 0 H LYS A 36 -5.745 -8.852 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.539 -9.545 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.644 -7.217 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.957 -7.248 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.311 -7.826 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.998 -7.793 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.082 -5.370 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.342 -5.448 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.982 -5.459 -7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.526 -4.556 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.853 -6.216 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.376 -6.810 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.771 -7.421 -8.197 1.00 0.00 H new ATOM 337 N LEU A 37 -3.469 -9.709 -3.526 1.00 0.00 N ATOM 338 CA LEU A 37 -2.182 -10.355 -3.727 1.00 0.00 C ATOM 339 C LEU A 37 -2.290 -11.829 -3.337 1.00 0.00 C ATOM 340 O LEU A 37 -1.976 -12.711 -4.135 1.00 0.00 O ATOM 341 CB LEU A 37 -1.082 -9.598 -2.978 1.00 0.00 C ATOM 342 CG LEU A 37 -0.425 -8.445 -3.739 1.00 0.00 C ATOM 343 CD1 LEU A 37 -1.407 -7.806 -4.723 1.00 0.00 C ATOM 344 CD2 LEU A 37 0.167 -7.418 -2.772 1.00 0.00 C ATOM 0 H LEU A 37 -3.512 -9.084 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.899 -10.324 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.504 -9.203 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.306 -10.310 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 37 0.400 -8.849 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.914 -6.989 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.740 -8.554 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.268 -7.419 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.628 -6.609 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.625 -7.014 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.920 -7.898 -2.147 1.00 0.00 H new ATOM 355 N HIS A 38 -2.736 -12.052 -2.109 1.00 0.00 N ATOM 356 CA HIS A 38 -2.889 -13.405 -1.603 1.00 0.00 C ATOM 357 C HIS A 38 -2.939 -13.380 -0.074 1.00 0.00 C ATOM 358 O HIS A 38 -2.146 -12.689 0.565 1.00 0.00 O ATOM 359 CB HIS A 38 -1.787 -14.317 -2.145 1.00 0.00 C ATOM 360 CG HIS A 38 -1.404 -15.440 -1.211 1.00 0.00 C ATOM 361 ND1 HIS A 38 -0.104 -15.646 -0.780 1.00 0.00 N ATOM 362 CD2 HIS A 38 -2.162 -16.414 -0.629 1.00 0.00 C ATOM 363 CE1 HIS A 38 -0.093 -16.700 0.023 1.00 0.00 C ATOM 364 NE2 HIS A 38 -1.368 -17.175 0.115 1.00 0.00 N ATOM 0 H HIS A 38 -2.996 -11.318 -1.450 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.832 -13.823 -1.956 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.116 -14.743 -3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.903 -13.716 -2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.227 -16.544 -0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.774 -17.111 0.518 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.663 -17.982 0.665 1.00 0.00 H new ATOM 371 N ILE A 39 -3.879 -14.140 0.470 1.00 0.00 N ATOM 372 CA ILE A 39 -4.041 -14.213 1.912 1.00 0.00 C ATOM 373 C ILE A 39 -2.664 -14.200 2.578 1.00 0.00 C ATOM 374 O ILE A 39 -1.940 -15.194 2.533 1.00 0.00 O ATOM 375 CB ILE A 39 -4.899 -15.420 2.293 1.00 0.00 C ATOM 376 CG1 ILE A 39 -6.319 -15.281 1.744 1.00 0.00 C ATOM 377 CG2 ILE A 39 -4.889 -15.643 3.807 1.00 0.00 C ATOM 378 CD1 ILE A 39 -6.813 -16.605 1.158 1.00 0.00 C ATOM 0 H ILE A 39 -4.536 -14.710 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.580 -13.340 2.280 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.463 -16.307 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.990 -14.959 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.341 -14.508 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.507 -16.507 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.867 -15.821 4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.286 -14.760 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.825 -16.478 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.154 -16.912 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.813 -17.369 1.935 1.00 0.00 H new ATOM 389 N SER A 40 -2.343 -13.063 3.180 1.00 0.00 N ATOM 390 CA SER A 40 -1.065 -12.908 3.854 1.00 0.00 C ATOM 391 C SER A 40 -0.912 -11.474 4.362 1.00 0.00 C ATOM 392 O SER A 40 0.055 -10.792 4.024 1.00 0.00 O ATOM 393 CB SER A 40 0.095 -13.270 2.925 1.00 0.00 C ATOM 394 OG SER A 40 1.075 -14.071 3.580 1.00 0.00 O ATOM 0 H SER A 40 -2.946 -12.241 3.215 1.00 0.00 H new ATOM 0 HA SER A 40 -1.041 -13.591 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.290 -13.806 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.562 -12.357 2.555 1.00 0.00 H new ATOM 0 HG SER A 40 1.798 -14.282 2.953 1.00 0.00 H new ATOM 399 N ILE A 41 -1.880 -11.058 5.166 1.00 0.00 N ATOM 400 CA ILE A 41 -1.866 -9.716 5.723 1.00 0.00 C ATOM 401 C ILE A 41 -0.522 -9.470 6.411 1.00 0.00 C ATOM 402 O ILE A 41 -0.067 -8.332 6.504 1.00 0.00 O ATOM 403 CB ILE A 41 -3.073 -9.502 6.638 1.00 0.00 C ATOM 404 CG1 ILE A 41 -4.375 -9.489 5.834 1.00 0.00 C ATOM 405 CG2 ILE A 41 -2.906 -8.237 7.480 1.00 0.00 C ATOM 406 CD1 ILE A 41 -5.499 -8.815 6.622 1.00 0.00 C ATOM 0 H ILE A 41 -2.679 -11.627 5.445 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.961 -8.973 4.931 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.130 -10.343 7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.220 -8.962 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.663 -10.510 5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.778 -8.109 8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.012 -8.326 8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.809 -7.373 6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.413 -8.819 6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.668 -9.358 7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.218 -7.786 6.849 1.00 0.00 H new ATOM 417 N LYS A 42 0.077 -10.557 6.878 1.00 0.00 N ATOM 418 CA LYS A 42 1.359 -10.474 7.553 1.00 0.00 C ATOM 419 C LYS A 42 2.447 -10.124 6.536 1.00 0.00 C ATOM 420 O LYS A 42 3.301 -9.279 6.800 1.00 0.00 O ATOM 421 CB LYS A 42 1.638 -11.759 8.333 1.00 0.00 C ATOM 422 CG LYS A 42 2.428 -11.466 9.611 1.00 0.00 C ATOM 423 CD LYS A 42 3.067 -12.740 10.166 1.00 0.00 C ATOM 424 CE LYS A 42 3.497 -12.550 11.621 1.00 0.00 C ATOM 425 NZ LYS A 42 3.972 -13.829 12.195 1.00 0.00 N ATOM 0 H LYS A 42 -0.304 -11.500 6.801 1.00 0.00 H new ATOM 0 HA LYS A 42 1.347 -9.674 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.696 -12.246 8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.197 -12.454 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.202 -10.728 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.766 -11.031 10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.359 -13.566 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.932 -13.011 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.289 -11.803 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.660 -12.171 12.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.260 -13.680 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.206 -14.531 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.785 -14.175 11.646 1.00 0.00 H new ATOM 434 N THR A 43 2.381 -10.791 5.394 1.00 0.00 N ATOM 435 CA THR A 43 3.348 -10.562 4.335 1.00 0.00 C ATOM 436 C THR A 43 3.296 -9.105 3.872 1.00 0.00 C ATOM 437 O THR A 43 4.334 -8.479 3.659 1.00 0.00 O ATOM 438 CB THR A 43 3.070 -11.565 3.214 1.00 0.00 C ATOM 439 OG1 THR A 43 4.366 -11.919 2.736 1.00 0.00 O ATOM 440 CG2 THR A 43 2.390 -10.921 2.005 1.00 0.00 C ATOM 0 H THR A 43 1.671 -11.491 5.179 1.00 0.00 H new ATOM 0 HA THR A 43 4.366 -10.723 4.689 1.00 0.00 H new ATOM 0 HB THR A 43 2.442 -12.370 3.596 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.280 -12.568 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.216 -11.677 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.437 -10.489 2.311 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.031 -10.137 1.601 1.00 0.00 H new ATOM 448 N VAL A 44 2.077 -8.606 3.728 1.00 0.00 N ATOM 449 CA VAL A 44 1.875 -7.234 3.293 1.00 0.00 C ATOM 450 C VAL A 44 2.484 -6.283 4.326 1.00 0.00 C ATOM 451 O VAL A 44 2.972 -5.210 3.973 1.00 0.00 O ATOM 452 CB VAL A 44 0.388 -6.976 3.047 1.00 0.00 C ATOM 453 CG1 VAL A 44 0.089 -5.476 3.017 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.080 -7.653 1.758 1.00 0.00 C ATOM 0 H VAL A 44 1.219 -9.128 3.905 1.00 0.00 H new ATOM 0 HA VAL A 44 2.383 -7.055 2.345 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.169 -7.412 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.975 -5.321 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.367 -5.030 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.662 -5.007 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.141 -7.454 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.487 -7.260 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.080 -8.729 1.833 1.00 0.00 H new ATOM 464 N GLU A 45 2.436 -6.709 5.579 1.00 0.00 N ATOM 465 CA GLU A 45 2.977 -5.908 6.664 1.00 0.00 C ATOM 466 C GLU A 45 4.456 -5.608 6.415 1.00 0.00 C ATOM 467 O GLU A 45 4.888 -4.463 6.539 1.00 0.00 O ATOM 468 CB GLU A 45 2.778 -6.606 8.011 1.00 0.00 C ATOM 469 CG GLU A 45 2.884 -5.607 9.166 1.00 0.00 C ATOM 470 CD GLU A 45 3.297 -6.310 10.462 1.00 0.00 C ATOM 471 OE1 GLU A 45 4.486 -6.318 10.810 1.00 0.00 O ATOM 472 OE2 GLU A 45 2.329 -6.860 11.115 1.00 0.00 O ATOM 0 H GLU A 45 2.030 -7.599 5.868 1.00 0.00 H new ATOM 0 HA GLU A 45 2.436 -4.963 6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.802 -7.091 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.526 -7.389 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.613 -4.835 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.926 -5.107 9.308 1.00 0.00 H new ATOM 478 N THR A 46 5.190 -6.655 6.068 1.00 0.00 N ATOM 479 CA THR A 46 6.612 -6.516 5.800 1.00 0.00 C ATOM 480 C THR A 46 6.840 -5.623 4.580 1.00 0.00 C ATOM 481 O THR A 46 7.685 -4.729 4.611 1.00 0.00 O ATOM 482 CB THR A 46 7.203 -7.919 5.646 1.00 0.00 C ATOM 483 OG1 THR A 46 7.000 -8.523 6.921 1.00 0.00 O ATOM 484 CG2 THR A 46 8.724 -7.898 5.481 1.00 0.00 C ATOM 0 H THR A 46 4.827 -7.603 5.966 1.00 0.00 H new ATOM 0 HA THR A 46 7.124 -6.021 6.625 1.00 0.00 H new ATOM 0 HB THR A 46 6.751 -8.411 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.353 -9.437 6.910 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.093 -8.918 5.376 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.986 -7.324 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.179 -7.437 6.358 1.00 0.00 H new ATOM 492 N HIS A 47 6.074 -5.895 3.535 1.00 0.00 N ATOM 493 CA HIS A 47 6.181 -5.128 2.306 1.00 0.00 C ATOM 494 C HIS A 47 6.034 -3.637 2.618 1.00 0.00 C ATOM 495 O HIS A 47 6.754 -2.809 2.063 1.00 0.00 O ATOM 496 CB HIS A 47 5.171 -5.618 1.269 1.00 0.00 C ATOM 497 CG HIS A 47 5.527 -6.946 0.644 1.00 0.00 C ATOM 498 ND1 HIS A 47 4.615 -7.713 -0.060 1.00 0.00 N ATOM 499 CD2 HIS A 47 6.704 -7.634 0.624 1.00 0.00 C ATOM 500 CE1 HIS A 47 5.227 -8.810 -0.480 1.00 0.00 C ATOM 501 NE2 HIS A 47 6.521 -8.760 -0.053 1.00 0.00 N ATOM 0 H HIS A 47 5.375 -6.638 3.514 1.00 0.00 H new ATOM 0 HA HIS A 47 7.167 -5.277 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.192 -5.701 1.741 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.082 -4.870 0.481 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.629 -7.316 1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.780 -9.604 -1.059 1.00 0.00 H new ATOM 0 HE2 HIS A 47 7.231 -9.471 -0.226 1.00 0.00 H new ATOM 508 N ARG A 48 5.096 -3.340 3.506 1.00 0.00 N ATOM 509 CA ARG A 48 4.846 -1.964 3.899 1.00 0.00 C ATOM 510 C ARG A 48 6.129 -1.320 4.429 1.00 0.00 C ATOM 511 O ARG A 48 6.522 -0.247 3.975 1.00 0.00 O ATOM 512 CB ARG A 48 3.762 -1.887 4.977 1.00 0.00 C ATOM 513 CG ARG A 48 3.820 -0.550 5.717 1.00 0.00 C ATOM 514 CD ARG A 48 4.445 -0.718 7.105 1.00 0.00 C ATOM 515 NE ARG A 48 3.440 -1.251 8.051 1.00 0.00 N ATOM 516 CZ ARG A 48 3.710 -1.591 9.329 1.00 0.00 C ATOM 517 NH1 ARG A 48 4.958 -1.456 9.825 1.00 0.00 N ATOM 518 NH2 ARG A 48 2.736 -2.059 10.086 1.00 0.00 N ATOM 0 H ARG A 48 4.500 -4.029 3.964 1.00 0.00 H new ATOM 0 HA ARG A 48 4.504 -1.425 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.780 -2.012 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.890 -2.705 5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.402 0.166 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.815 -0.140 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.298 -1.394 7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.820 0.241 7.462 1.00 0.00 H new ATOM 0 HE ARG A 48 2.484 -1.369 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.706 -1.095 9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.153 -1.715 10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.796 -2.159 9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.923 -2.321 11.054 1.00 0.00 H new ATOM 528 N MET A 49 6.746 -2.005 5.382 1.00 0.00 N ATOM 529 CA MET A 49 7.976 -1.513 5.978 1.00 0.00 C ATOM 530 C MET A 49 8.990 -1.123 4.901 1.00 0.00 C ATOM 531 O MET A 49 9.794 -0.214 5.101 1.00 0.00 O ATOM 532 CB MET A 49 8.577 -2.597 6.876 1.00 0.00 C ATOM 533 CG MET A 49 9.534 -1.990 7.904 1.00 0.00 C ATOM 534 SD MET A 49 10.058 -3.240 9.064 1.00 0.00 S ATOM 535 CE MET A 49 9.341 -2.591 10.563 1.00 0.00 C ATOM 0 H MET A 49 6.417 -2.895 5.755 1.00 0.00 H new ATOM 0 HA MET A 49 7.742 -0.627 6.568 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.779 -3.133 7.389 1.00 0.00 H new ATOM 0 HB3 MET A 49 9.109 -3.326 6.265 1.00 0.00 H new ATOM 0 HG2 MET A 49 10.401 -1.565 7.399 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.042 -1.174 8.434 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.574 -3.255 11.395 1.00 0.00 H new ATOM 0 HE2 MET A 49 9.751 -1.601 10.763 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.259 -2.519 10.448 1.00 0.00 H new ATOM 543 N ASN A 50 8.919 -1.830 3.784 1.00 0.00 N ATOM 544 CA ASN A 50 9.821 -1.569 2.675 1.00 0.00 C ATOM 545 C ASN A 50 9.389 -0.284 1.963 1.00 0.00 C ATOM 546 O ASN A 50 10.211 0.399 1.355 1.00 0.00 O ATOM 547 CB ASN A 50 9.784 -2.709 1.654 1.00 0.00 C ATOM 548 CG ASN A 50 11.001 -3.621 1.809 1.00 0.00 C ATOM 549 OD1 ASN A 50 12.122 -3.267 1.480 1.00 0.00 O ATOM 550 ND2 ASN A 50 10.722 -4.814 2.326 1.00 0.00 N ATOM 0 H ASN A 50 8.251 -2.584 3.622 1.00 0.00 H new ATOM 0 HA ASN A 50 10.830 -1.476 3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.871 -3.290 1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.759 -2.298 0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.468 -5.495 2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.762 -5.048 2.580 1.00 0.00 H new ATOM 556 N MET A 51 8.099 0.005 2.062 1.00 0.00 N ATOM 557 CA MET A 51 7.549 1.194 1.436 1.00 0.00 C ATOM 558 C MET A 51 7.755 2.425 2.323 1.00 0.00 C ATOM 559 O MET A 51 7.621 3.556 1.859 1.00 0.00 O ATOM 560 CB MET A 51 6.053 0.993 1.182 1.00 0.00 C ATOM 561 CG MET A 51 5.820 0.157 -0.078 1.00 0.00 C ATOM 562 SD MET A 51 5.071 -1.405 0.356 1.00 0.00 S ATOM 563 CE MET A 51 3.398 -0.869 0.669 1.00 0.00 C ATOM 0 H MET A 51 7.420 -0.564 2.567 1.00 0.00 H new ATOM 0 HA MET A 51 8.068 1.358 0.492 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.598 0.499 2.040 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.565 1.962 1.076 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.176 0.699 -0.770 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.766 -0.014 -0.591 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.769 -1.737 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.384 -0.205 1.533 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.017 -0.337 -0.203 1.00 0.00 H new ATOM 571 N MET A 52 8.075 2.162 3.580 1.00 0.00 N ATOM 572 CA MET A 52 8.300 3.233 4.535 1.00 0.00 C ATOM 573 C MET A 52 9.770 3.658 4.547 1.00 0.00 C ATOM 574 O MET A 52 10.088 4.799 4.881 1.00 0.00 O ATOM 575 CB MET A 52 7.893 2.766 5.934 1.00 0.00 C ATOM 576 CG MET A 52 6.430 2.314 5.957 1.00 0.00 C ATOM 577 SD MET A 52 5.391 3.574 5.240 1.00 0.00 S ATOM 578 CE MET A 52 4.454 2.585 4.087 1.00 0.00 C ATOM 0 H MET A 52 8.184 1.222 3.960 1.00 0.00 H new ATOM 0 HA MET A 52 7.695 4.090 4.238 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.536 1.944 6.249 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.038 3.576 6.649 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.320 1.382 5.403 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.119 2.114 6.982 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.053 3.225 3.301 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.103 1.829 3.645 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.633 2.096 4.611 1.00 0.00 H new ATOM 586 N ARG A 53 10.627 2.717 4.177 1.00 0.00 N ATOM 587 CA ARG A 53 12.055 2.980 4.142 1.00 0.00 C ATOM 588 C ARG A 53 12.471 3.466 2.751 1.00 0.00 C ATOM 589 O ARG A 53 13.452 4.194 2.612 1.00 0.00 O ATOM 590 CB ARG A 53 12.855 1.724 4.494 1.00 0.00 C ATOM 591 CG ARG A 53 14.035 2.063 5.408 1.00 0.00 C ATOM 592 CD ARG A 53 14.992 0.876 5.532 1.00 0.00 C ATOM 593 NE ARG A 53 16.142 1.242 6.388 1.00 0.00 N ATOM 594 CZ ARG A 53 16.068 1.409 7.725 1.00 0.00 C ATOM 595 NH1 ARG A 53 14.894 1.245 8.372 1.00 0.00 N ATOM 596 NH2 ARG A 53 17.160 1.735 8.391 1.00 0.00 N ATOM 0 H ARG A 53 10.360 1.773 3.899 1.00 0.00 H new ATOM 0 HA ARG A 53 12.268 3.753 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.205 1.001 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.221 1.254 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.570 2.926 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.666 2.342 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.469 0.019 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.343 0.577 4.545 1.00 0.00 H new ATOM 0 HE ARG A 53 17.048 1.377 5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.055 0.993 7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.847 1.373 9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.043 1.857 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.121 1.865 9.402 1.00 0.00 H new ATOM 606 N LYS A 54 11.703 3.043 1.757 1.00 0.00 N ATOM 607 CA LYS A 54 11.979 3.427 0.384 1.00 0.00 C ATOM 608 C LYS A 54 11.405 4.821 0.123 1.00 0.00 C ATOM 609 O LYS A 54 12.137 5.735 -0.255 1.00 0.00 O ATOM 610 CB LYS A 54 11.463 2.359 -0.584 1.00 0.00 C ATOM 611 CG LYS A 54 12.510 1.264 -0.802 1.00 0.00 C ATOM 612 CD LYS A 54 13.750 1.824 -1.502 1.00 0.00 C ATOM 613 CE LYS A 54 15.023 1.467 -0.730 1.00 0.00 C ATOM 614 NZ LYS A 54 16.107 1.090 -1.665 1.00 0.00 N ATOM 0 H LYS A 54 10.890 2.438 1.876 1.00 0.00 H new ATOM 0 HA LYS A 54 13.054 3.488 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.547 1.918 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.210 2.820 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.794 0.831 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.082 0.460 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.811 1.426 -2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.665 2.907 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.337 2.316 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.822 0.643 -0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.963 0.851 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.810 0.266 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.310 1.888 -2.301 1.00 0.00 H new ATOM 623 N LEU A 55 10.104 4.941 0.337 1.00 0.00 N ATOM 624 CA LEU A 55 9.425 6.208 0.128 1.00 0.00 C ATOM 625 C LEU A 55 9.617 7.092 1.363 1.00 0.00 C ATOM 626 O LEU A 55 9.126 8.219 1.406 1.00 0.00 O ATOM 627 CB LEU A 55 7.958 5.976 -0.240 1.00 0.00 C ATOM 628 CG LEU A 55 7.697 4.931 -1.325 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.274 3.594 -0.709 1.00 0.00 C ATOM 630 CD2 LEU A 55 6.675 5.441 -2.344 1.00 0.00 C ATOM 0 H LEU A 55 9.501 4.181 0.653 1.00 0.00 H new ATOM 0 HA LEU A 55 9.861 6.740 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.421 5.678 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.531 6.924 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 55 8.629 4.758 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.095 2.868 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.065 3.228 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.361 3.733 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.508 4.678 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.735 5.661 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.053 6.348 -2.816 1.00 0.00 H new ATOM 641 N GLN A 56 10.331 6.547 2.337 1.00 0.00 N ATOM 642 CA GLN A 56 10.592 7.271 3.568 1.00 0.00 C ATOM 643 C GLN A 56 9.276 7.686 4.231 1.00 0.00 C ATOM 644 O GLN A 56 9.253 8.600 5.054 1.00 0.00 O ATOM 645 CB GLN A 56 11.482 8.488 3.310 1.00 0.00 C ATOM 646 CG GLN A 56 12.889 8.059 2.890 1.00 0.00 C ATOM 647 CD GLN A 56 13.857 9.244 2.921 1.00 0.00 C ATOM 648 OE1 GLN A 56 13.624 10.252 3.568 1.00 0.00 O ATOM 649 NE2 GLN A 56 14.951 9.069 2.187 1.00 0.00 N ATOM 0 H GLN A 56 10.737 5.612 2.298 1.00 0.00 H new ATOM 0 HA GLN A 56 11.126 6.608 4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.039 9.108 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.538 9.100 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.248 7.275 3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.859 7.636 1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.084 8.200 1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.657 9.803 2.141 1.00 0.00 H new ATOM 656 N VAL A 57 8.214 6.993 3.848 1.00 0.00 N ATOM 657 CA VAL A 57 6.898 7.276 4.395 1.00 0.00 C ATOM 658 C VAL A 57 6.787 6.661 5.790 1.00 0.00 C ATOM 659 O VAL A 57 7.646 5.881 6.199 1.00 0.00 O ATOM 660 CB VAL A 57 5.815 6.782 3.434 1.00 0.00 C ATOM 661 CG1 VAL A 57 4.418 7.129 3.957 1.00 0.00 C ATOM 662 CG2 VAL A 57 6.030 7.343 2.028 1.00 0.00 C ATOM 0 H VAL A 57 8.238 6.236 3.165 1.00 0.00 H new ATOM 0 HA VAL A 57 6.752 8.351 4.503 1.00 0.00 H new ATOM 0 HB VAL A 57 5.890 5.696 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.667 6.767 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.265 6.657 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.326 8.210 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.246 6.976 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.996 8.432 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.002 7.022 1.653 1.00 0.00 H new ATOM 672 N HIS A 58 5.722 7.036 6.485 1.00 0.00 N ATOM 673 CA HIS A 58 5.488 6.531 7.827 1.00 0.00 C ATOM 674 C HIS A 58 4.954 5.099 7.749 1.00 0.00 C ATOM 675 O HIS A 58 5.694 4.144 7.986 1.00 0.00 O ATOM 676 CB HIS A 58 4.561 7.466 8.605 1.00 0.00 C ATOM 677 CG HIS A 58 5.275 8.351 9.599 1.00 0.00 C ATOM 678 ND1 HIS A 58 6.507 8.925 9.340 1.00 0.00 N ATOM 679 CD2 HIS A 58 4.917 8.755 10.851 1.00 0.00 C ATOM 680 CE1 HIS A 58 6.867 9.638 10.398 1.00 0.00 C ATOM 681 NE2 HIS A 58 5.879 9.531 11.333 1.00 0.00 N ATOM 0 H HIS A 58 5.012 7.684 6.143 1.00 0.00 H new ATOM 0 HA HIS A 58 6.428 6.504 8.378 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.019 8.094 7.898 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.819 6.868 9.134 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.005 8.488 11.364 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.781 10.204 10.502 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.880 9.975 12.251 1.00 0.00 H new ATOM 688 N LYS A 59 3.677 4.993 7.417 1.00 0.00 N ATOM 689 CA LYS A 59 3.037 3.694 7.306 1.00 0.00 C ATOM 690 C LYS A 59 2.386 3.567 5.929 1.00 0.00 C ATOM 691 O LYS A 59 2.702 4.328 5.015 1.00 0.00 O ATOM 692 CB LYS A 59 2.065 3.474 8.467 1.00 0.00 C ATOM 693 CG LYS A 59 2.176 2.049 9.014 1.00 0.00 C ATOM 694 CD LYS A 59 2.578 2.057 10.490 1.00 0.00 C ATOM 695 CE LYS A 59 1.400 1.662 11.383 1.00 0.00 C ATOM 696 NZ LYS A 59 1.781 1.743 12.809 1.00 0.00 N ATOM 0 H LYS A 59 3.067 5.787 7.221 1.00 0.00 H new ATOM 0 HA LYS A 59 3.777 2.898 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.275 4.190 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.045 3.660 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.222 1.535 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.912 1.490 8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.406 1.366 10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.933 3.049 10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.553 2.320 11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.078 0.648 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.970 1.472 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.575 1.098 12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.066 2.717 13.037 1.00 0.00 H new ATOM 705 N VAL A 60 1.488 2.598 5.820 1.00 0.00 N ATOM 706 CA VAL A 60 0.790 2.361 4.567 1.00 0.00 C ATOM 707 C VAL A 60 -0.209 3.494 4.323 1.00 0.00 C ATOM 708 O VAL A 60 -0.436 3.891 3.182 1.00 0.00 O ATOM 709 CB VAL A 60 0.134 0.979 4.586 1.00 0.00 C ATOM 710 CG1 VAL A 60 -1.125 0.957 3.719 1.00 0.00 C ATOM 711 CG2 VAL A 60 1.123 -0.103 4.146 1.00 0.00 C ATOM 0 H VAL A 60 1.228 1.968 6.579 1.00 0.00 H new ATOM 0 HA VAL A 60 1.492 2.361 3.733 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.164 0.764 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.571 -0.037 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.840 1.688 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.863 1.205 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.632 -1.076 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.465 0.107 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.977 -0.112 4.823 1.00 0.00 H new ATOM 721 N THR A 61 -0.779 3.981 5.415 1.00 0.00 N ATOM 722 CA THR A 61 -1.750 5.059 5.334 1.00 0.00 C ATOM 723 C THR A 61 -1.125 6.291 4.675 1.00 0.00 C ATOM 724 O THR A 61 -1.648 6.804 3.687 1.00 0.00 O ATOM 725 CB THR A 61 -2.278 5.328 6.745 1.00 0.00 C ATOM 726 OG1 THR A 61 -3.166 4.243 6.995 1.00 0.00 O ATOM 727 CG2 THR A 61 -3.173 6.567 6.809 1.00 0.00 C ATOM 0 H THR A 61 -0.587 3.649 6.360 1.00 0.00 H new ATOM 0 HA THR A 61 -2.594 4.783 4.702 1.00 0.00 H new ATOM 0 HB THR A 61 -1.439 5.452 7.430 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.553 4.337 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.521 6.712 7.832 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.606 7.442 6.490 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.031 6.431 6.150 1.00 0.00 H new ATOM 735 N GLU A 62 -0.013 6.729 5.248 1.00 0.00 N ATOM 736 CA GLU A 62 0.689 7.890 4.727 1.00 0.00 C ATOM 737 C GLU A 62 1.144 7.634 3.289 1.00 0.00 C ATOM 738 O GLU A 62 1.146 8.547 2.463 1.00 0.00 O ATOM 739 CB GLU A 62 1.875 8.259 5.621 1.00 0.00 C ATOM 740 CG GLU A 62 2.428 9.638 5.257 1.00 0.00 C ATOM 741 CD GLU A 62 1.864 10.718 6.184 1.00 0.00 C ATOM 742 OE1 GLU A 62 1.594 10.443 7.362 1.00 0.00 O ATOM 743 OE2 GLU A 62 1.710 11.878 5.640 1.00 0.00 O ATOM 0 H GLU A 62 0.419 6.301 6.067 1.00 0.00 H new ATOM 0 HA GLU A 62 0.001 8.736 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.563 8.252 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.660 7.510 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.516 9.627 5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.176 9.873 4.223 1.00 0.00 H new ATOM 749 N LEU A 63 1.521 6.390 3.034 1.00 0.00 N ATOM 750 CA LEU A 63 1.978 6.004 1.710 1.00 0.00 C ATOM 751 C LEU A 63 0.774 5.886 0.773 1.00 0.00 C ATOM 752 O LEU A 63 0.907 6.045 -0.439 1.00 0.00 O ATOM 753 CB LEU A 63 2.824 4.731 1.785 1.00 0.00 C ATOM 754 CG LEU A 63 3.056 4.001 0.461 1.00 0.00 C ATOM 755 CD1 LEU A 63 4.257 4.584 -0.284 1.00 0.00 C ATOM 756 CD2 LEU A 63 3.197 2.493 0.686 1.00 0.00 C ATOM 0 H LEU A 63 1.519 5.636 3.721 1.00 0.00 H new ATOM 0 HA LEU A 63 2.632 6.771 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.794 4.988 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.345 4.040 2.479 1.00 0.00 H new ATOM 0 HG LEU A 63 2.182 4.153 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.399 4.047 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.078 5.639 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.151 4.483 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.361 1.996 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.044 2.301 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.286 2.107 1.144 1.00 0.00 H new ATOM 767 N LEU A 64 -0.376 5.609 1.371 1.00 0.00 N ATOM 768 CA LEU A 64 -1.603 5.469 0.607 1.00 0.00 C ATOM 769 C LEU A 64 -1.891 6.778 -0.132 1.00 0.00 C ATOM 770 O LEU A 64 -2.260 6.765 -1.305 1.00 0.00 O ATOM 771 CB LEU A 64 -2.747 5.007 1.509 1.00 0.00 C ATOM 772 CG LEU A 64 -3.302 3.609 1.228 1.00 0.00 C ATOM 773 CD1 LEU A 64 -3.290 2.749 2.491 1.00 0.00 C ATOM 774 CD2 LEU A 64 -4.697 3.689 0.603 1.00 0.00 C ATOM 0 H LEU A 64 -0.483 5.478 2.377 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.493 4.693 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.403 5.038 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.563 5.724 1.423 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.650 3.123 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.690 1.761 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.267 2.651 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.905 3.220 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.069 2.682 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.373 4.203 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.644 4.239 -0.336 1.00 0.00 H new ATOM 785 N ASN A 65 -1.712 7.877 0.587 1.00 0.00 N ATOM 786 CA ASN A 65 -1.949 9.192 0.015 1.00 0.00 C ATOM 787 C ASN A 65 -0.794 9.550 -0.923 1.00 0.00 C ATOM 788 O ASN A 65 -0.976 10.308 -1.873 1.00 0.00 O ATOM 789 CB ASN A 65 -2.019 10.262 1.107 1.00 0.00 C ATOM 790 CG ASN A 65 -3.438 10.821 1.234 1.00 0.00 C ATOM 791 OD1 ASN A 65 -4.343 10.463 0.497 1.00 0.00 O ATOM 792 ND2 ASN A 65 -3.581 11.718 2.206 1.00 0.00 N ATOM 0 H ASN A 65 -1.406 7.884 1.560 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.897 9.161 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.705 9.836 2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.325 11.070 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.490 12.151 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.782 11.973 2.787 1.00 0.00 H new ATOM 798 N CYS A 66 0.367 8.986 -0.624 1.00 0.00 N ATOM 799 CA CYS A 66 1.550 9.236 -1.430 1.00 0.00 C ATOM 800 C CYS A 66 1.271 8.757 -2.855 1.00 0.00 C ATOM 801 O CYS A 66 1.344 9.539 -3.802 1.00 0.00 O ATOM 802 CB CYS A 66 2.791 8.567 -0.834 1.00 0.00 C ATOM 803 SG CYS A 66 3.451 9.581 0.538 1.00 0.00 S ATOM 0 H CYS A 66 0.514 8.357 0.165 1.00 0.00 H new ATOM 0 HA CYS A 66 1.765 10.304 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.538 7.571 -0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.552 8.443 -1.604 1.00 0.00 H new ATOM 0 HG CYS A 66 2.699 9.432 1.588 1.00 0.00 H new ATOM 808 N ALA A 67 0.956 7.475 -2.963 1.00 0.00 N ATOM 809 CA ALA A 67 0.666 6.882 -4.258 1.00 0.00 C ATOM 810 C ALA A 67 -0.536 7.594 -4.882 1.00 0.00 C ATOM 811 O ALA A 67 -0.568 7.823 -6.090 1.00 0.00 O ATOM 812 CB ALA A 67 0.432 5.380 -4.092 1.00 0.00 C ATOM 0 H ALA A 67 0.895 6.830 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 67 1.511 7.007 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.215 4.936 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.325 4.917 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.411 5.215 -3.421 1.00 0.00 H new ATOM 818 N ARG A 68 -1.496 7.924 -4.029 1.00 0.00 N ATOM 819 CA ARG A 68 -2.698 8.605 -4.481 1.00 0.00 C ATOM 820 C ARG A 68 -2.344 9.972 -5.070 1.00 0.00 C ATOM 821 O ARG A 68 -2.694 10.270 -6.210 1.00 0.00 O ATOM 822 CB ARG A 68 -3.690 8.793 -3.332 1.00 0.00 C ATOM 823 CG ARG A 68 -5.132 8.729 -3.837 1.00 0.00 C ATOM 824 CD ARG A 68 -6.088 8.312 -2.716 1.00 0.00 C ATOM 825 NE ARG A 68 -7.489 8.478 -3.159 1.00 0.00 N ATOM 826 CZ ARG A 68 -8.102 7.673 -4.053 1.00 0.00 C ATOM 827 NH1 ARG A 68 -7.439 6.636 -4.609 1.00 0.00 N ATOM 828 NH2 ARG A 68 -9.358 7.914 -4.376 1.00 0.00 N ATOM 0 H ARG A 68 -1.466 7.732 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.162 7.985 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.530 8.021 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.513 9.753 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.428 9.702 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.201 8.019 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.906 7.274 -2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.905 8.916 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.026 9.250 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.468 6.456 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.909 6.033 -5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.852 8.699 -3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.835 7.315 -5.050 1.00 0.00 H new ATOM 838 N ARG A 69 -1.654 10.766 -4.265 1.00 0.00 N ATOM 839 CA ARG A 69 -1.248 12.094 -4.691 1.00 0.00 C ATOM 840 C ARG A 69 -2.447 12.861 -5.253 1.00 0.00 C ATOM 841 O ARG A 69 -2.301 13.662 -6.174 1.00 0.00 O ATOM 842 CB ARG A 69 -0.153 12.021 -5.759 1.00 0.00 C ATOM 843 CG ARG A 69 0.599 13.348 -5.864 1.00 0.00 C ATOM 844 CD ARG A 69 2.111 13.128 -5.785 1.00 0.00 C ATOM 845 NE ARG A 69 2.653 13.771 -4.567 1.00 0.00 N ATOM 846 CZ ARG A 69 3.968 13.974 -4.338 1.00 0.00 C ATOM 847 NH1 ARG A 69 4.889 13.583 -5.245 1.00 0.00 N ATOM 848 NH2 ARG A 69 4.340 14.558 -3.216 1.00 0.00 N ATOM 0 H ARG A 69 -1.366 10.515 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.854 12.615 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.546 11.221 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.596 11.773 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.348 13.839 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.282 14.014 -5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.331 12.061 -5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.594 13.542 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 69 1.991 14.080 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.593 13.131 -6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.881 13.740 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.638 14.849 -2.536 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.330 14.718 -3.028 1.00 0.00 H new ATOM 858 N MET A 70 -3.607 12.588 -4.674 1.00 0.00 N ATOM 859 CA MET A 70 -4.831 13.241 -5.105 1.00 0.00 C ATOM 860 C MET A 70 -5.771 13.481 -3.922 1.00 0.00 C ATOM 861 O MET A 70 -6.216 14.605 -3.697 1.00 0.00 O ATOM 862 CB MET A 70 -5.535 12.370 -6.148 1.00 0.00 C ATOM 863 CG MET A 70 -5.803 13.159 -7.430 1.00 0.00 C ATOM 864 SD MET A 70 -5.268 12.218 -8.849 1.00 0.00 S ATOM 865 CE MET A 70 -6.698 12.405 -9.903 1.00 0.00 C ATOM 0 H MET A 70 -3.725 11.923 -3.910 1.00 0.00 H new ATOM 0 HA MET A 70 -4.571 14.206 -5.540 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.920 11.499 -6.375 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.476 11.999 -5.742 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.866 13.384 -7.513 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.277 14.113 -7.396 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.531 11.874 -10.840 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.575 11.993 -9.403 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.862 13.463 -10.110 1.00 0.00 H new ATOM 873 N ARG A 71 -6.043 12.406 -3.197 1.00 0.00 N ATOM 874 CA ARG A 71 -6.923 12.486 -2.042 1.00 0.00 C ATOM 875 C ARG A 71 -8.359 12.766 -2.487 1.00 0.00 C ATOM 876 O ARG A 71 -8.946 13.776 -2.102 1.00 0.00 O ATOM 877 CB ARG A 71 -6.470 13.587 -1.081 1.00 0.00 C ATOM 878 CG ARG A 71 -4.992 13.427 -0.721 1.00 0.00 C ATOM 879 CD ARG A 71 -4.330 14.789 -0.500 1.00 0.00 C ATOM 880 NE ARG A 71 -3.111 14.900 -1.331 1.00 0.00 N ATOM 881 CZ ARG A 71 -2.244 15.933 -1.269 1.00 0.00 C ATOM 882 NH1 ARG A 71 -2.457 16.955 -0.413 1.00 0.00 N ATOM 883 NH2 ARG A 71 -1.186 15.930 -2.059 1.00 0.00 N ATOM 0 H ARG A 71 -5.670 11.476 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.880 11.527 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.633 14.563 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.074 13.555 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.897 12.822 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.476 12.893 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.027 15.587 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.075 14.912 0.553 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.913 14.149 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.278 16.950 0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.797 17.732 -0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.033 15.155 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.521 16.703 -2.024 1.00 0.00 H new ATOM 893 N LEU A 72 -8.884 11.853 -3.290 1.00 0.00 N ATOM 894 CA LEU A 72 -10.241 11.989 -3.792 1.00 0.00 C ATOM 895 C LEU A 72 -11.146 10.979 -3.080 1.00 0.00 C ATOM 896 O LEU A 72 -12.200 11.344 -2.560 1.00 0.00 O ATOM 897 CB LEU A 72 -10.264 11.868 -5.317 1.00 0.00 C ATOM 898 CG LEU A 72 -10.437 13.176 -6.090 1.00 0.00 C ATOM 899 CD1 LEU A 72 -9.113 13.938 -6.182 1.00 0.00 C ATOM 900 CD2 LEU A 72 -11.047 12.921 -7.469 1.00 0.00 C ATOM 0 H LEU A 72 -8.394 11.016 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.632 12.982 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.334 11.399 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.074 11.194 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.135 13.807 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.264 14.864 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.756 14.170 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.374 13.323 -6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.159 13.867 -7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.393 12.262 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.024 12.452 -7.354 1.00 0.00 H new ATOM 911 N ILE A 73 -10.701 9.731 -3.083 1.00 0.00 N ATOM 912 CA ILE A 73 -11.458 8.667 -2.445 1.00 0.00 C ATOM 913 C ILE A 73 -12.919 8.746 -2.892 1.00 0.00 C ATOM 914 O ILE A 73 -13.814 8.275 -2.191 1.00 0.00 O ATOM 915 CB ILE A 73 -11.276 8.716 -0.927 1.00 0.00 C ATOM 916 CG1 ILE A 73 -10.966 7.327 -0.366 1.00 0.00 C ATOM 917 CG2 ILE A 73 -12.493 9.349 -0.249 1.00 0.00 C ATOM 918 CD1 ILE A 73 -9.459 7.065 -0.354 1.00 0.00 C ATOM 0 H ILE A 73 -9.827 9.433 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.082 7.693 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.418 9.351 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -11.361 7.243 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.466 6.568 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.338 9.372 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.627 10.366 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.382 8.761 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.266 6.071 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.071 7.126 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.965 7.811 0.268 1.00 0.00 H new ATOM 929 N GLU A 74 -13.116 9.346 -4.058 1.00 0.00 N ATOM 930 CA GLU A 74 -14.453 9.493 -4.607 1.00 0.00 C ATOM 931 C GLU A 74 -14.915 8.178 -5.238 1.00 0.00 C ATOM 932 O GLU A 74 -15.860 7.553 -4.758 1.00 0.00 O ATOM 933 CB GLU A 74 -14.506 10.637 -5.622 1.00 0.00 C ATOM 934 CG GLU A 74 -14.698 11.982 -4.920 1.00 0.00 C ATOM 935 CD GLU A 74 -15.409 12.982 -5.835 1.00 0.00 C ATOM 936 OE1 GLU A 74 -14.801 13.975 -6.260 1.00 0.00 O ATOM 937 OE2 GLU A 74 -16.638 12.696 -6.105 1.00 0.00 O ATOM 0 H GLU A 74 -12.372 9.736 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.134 9.742 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.585 10.655 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.323 10.469 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.279 11.841 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.729 12.382 -4.622 1.00 0.00 H new ATOM 943 N TYR A 75 -14.228 7.797 -6.306 1.00 0.00 N ATOM 944 CA TYR A 75 -14.557 6.568 -7.007 1.00 0.00 C ATOM 945 C TYR A 75 -16.070 6.415 -7.167 1.00 0.00 C ATOM 946 O TYR A 75 -16.668 7.022 -8.053 1.00 0.00 O ATOM 947 CB TYR A 75 -14.031 5.429 -6.131 1.00 0.00 C ATOM 948 CG TYR A 75 -12.616 4.971 -6.490 1.00 0.00 C ATOM 949 CD1 TYR A 75 -11.556 5.848 -6.375 1.00 0.00 C ATOM 950 CD2 TYR A 75 -12.399 3.679 -6.929 1.00 0.00 C ATOM 951 CE1 TYR A 75 -10.224 5.416 -6.713 1.00 0.00 C ATOM 952 CE2 TYR A 75 -11.067 3.248 -7.266 1.00 0.00 C ATOM 953 CZ TYR A 75 -10.046 4.137 -7.141 1.00 0.00 C ATOM 954 OH TYR A 75 -8.788 3.730 -7.461 1.00 0.00 O ATOM 0 H TYR A 75 -13.446 8.318 -6.702 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.117 6.566 -8.004 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -14.045 5.749 -5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.709 4.579 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -11.725 6.858 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -13.228 2.993 -7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -9.386 6.092 -6.629 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.883 2.241 -7.610 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.137 4.371 -7.107 1.00 0.00 H new TER 963 TYR A 75