USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HEMFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD Set 1.1: A 46 TYR OH : rot -145:sc= 1.23 USER MOD Set 1.2: A 104 HEM CMD :methyl -30:sc= -2.53 (180deg=-6.61!) USER MOD Set 2.1: A 64 MET CE :methyl -174:sc= -0.865 (180deg=-0.921) USER MOD Set 2.2: A 104 HEM CMA :methyl 150:sc= -0.0105 (180deg=-0.00834) USER MOD Set 3.1: A 62 ASN : amide:sc= 0.984 K(o=1.4,f=-0.47) USER MOD Set 3.2: A 63 ASN : amide:sc= 0.391 K(o=1.4,f=-0.6) USER MOD Set 4.1: A 40 SER OG : rot 120:sc= 1.56 USER MOD Set 4.2: A 56 ASN : amide:sc= -0.0356 X(o=1.5,f=1.8) USER MOD Set 5.1: A 19 THR OG1 : rot -121:sc= 1.55 USER MOD Set 5.2: A 31 ASN : amide:sc= 1.56 K(o=3.1,f=-6.8!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.131 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00577 USER MOD Single : A -2 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00431) USER MOD Single : A -5 THR N :NH3+ 143:sc= 0.0952 (180deg=-0.0222) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.533 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -5.12! C(o=-5.1!,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.22) USER MOD Single : A 33 HIS : no HE2:sc= 0.17 K(o=0.17,f=-3.9!) USER MOD Single : A 39 GLN : amide:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 42 GLN : amide:sc= 0.78 K(o=0.78,f=-0.062) USER MOD Single : A 47 SER OG : rot 47:sc= 0.261 USER MOD Single : A 48 TYR OH : rot -60:sc= 0.387 USER MOD Single : A 49 THR OG1 : rot 177:sc= 2.01 USER MOD Single : A 52 ASN : amide:sc= 1.08 K(o=1.1,f=-2.3!) USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 0.931 (180deg=0.926) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.372 USER MOD Single : A 67 TYR OH : rot -130:sc= 0.567 USER MOD Single : A 69 THR OG1 : rot 73:sc= 1.02 USER MOD Single : A 70 ASN : amide:sc= -0.443 K(o=-0.44,f=-3.8!) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0149) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 THR OG1 : rot 170:sc= -0.198 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.016) USER MOD Single : A 86 LYS NZ :NH3+ 173:sc= -0.219 (180deg=-0.31) USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0.875 (180deg=0.791) USER MOD Single : A 89 LYS NZ :NH3+ 175:sc=-0.00244 (180deg=-0.0403) USER MOD Single : A 92 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.1) USER MOD Single : A 96 THR OG1 : rot 73:sc= 2.11 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0448) USER MOD Single : A 102 SER OG : rot -120:sc= 0.566 USER MOD Single : A 104 HEM CMB :methyl 150:sc= -0.343 (180deg=-0.343) USER MOD Single : A 104 HEM CMC :methyl -30:sc= -0.498 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 3.444 -6.550 -20.885 1.00 0.00 N ATOM 2 CA THR A -5 2.869 -6.872 -19.566 1.00 0.00 C ATOM 3 C THR A -5 1.365 -7.073 -19.750 1.00 0.00 C ATOM 4 O THR A -5 0.905 -6.996 -20.888 1.00 0.00 O ATOM 5 CB THR A -5 3.241 -5.821 -18.499 1.00 0.00 C ATOM 6 OG1 THR A -5 2.646 -6.161 -17.262 1.00 0.00 O ATOM 7 CG2 THR A -5 2.835 -4.398 -18.899 1.00 0.00 C ATOM 0 H1 THR A -5 4.201 -5.846 -20.771 1.00 0.00 H new ATOM 0 H2 THR A -5 3.835 -7.413 -21.313 1.00 0.00 H new ATOM 0 H3 THR A -5 2.702 -6.163 -21.502 1.00 0.00 H new ATOM 0 HA THR A -5 3.294 -7.797 -19.176 1.00 0.00 H new ATOM 0 HB THR A -5 4.327 -5.829 -18.408 1.00 0.00 H new ATOM 0 HG1 THR A -5 2.887 -5.491 -16.588 1.00 0.00 H new ATOM 0 HG21 THR A -5 3.122 -3.702 -18.110 1.00 0.00 H new ATOM 0 HG22 THR A -5 3.338 -4.123 -19.826 1.00 0.00 H new ATOM 0 HG23 THR A -5 1.756 -4.355 -19.046 1.00 0.00 H new ATOM 8 N GLU A -4 0.644 -7.354 -18.666 1.00 0.00 N ATOM 9 CA GLU A -4 -0.765 -7.722 -18.652 1.00 0.00 C ATOM 10 C GLU A -4 -1.594 -6.633 -17.966 1.00 0.00 C ATOM 11 O GLU A -4 -2.543 -6.115 -18.555 1.00 0.00 O ATOM 12 CB GLU A -4 -0.920 -9.115 -18.028 1.00 0.00 C ATOM 13 CG GLU A -4 -0.229 -9.308 -16.669 1.00 0.00 C ATOM 14 CD GLU A -4 -0.203 -10.788 -16.314 1.00 0.00 C ATOM 15 OE1 GLU A -4 -1.309 -11.338 -16.131 1.00 0.00 O ATOM 16 OE2 GLU A -4 0.917 -11.339 -16.275 1.00 0.00 O ATOM 0 H GLU A -4 1.049 -7.329 -17.730 1.00 0.00 H new ATOM 0 HA GLU A -4 -1.155 -7.789 -19.667 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -1.983 -9.325 -17.909 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -0.525 -9.853 -18.726 1.00 0.00 H new ATOM 0 HG2 GLU A -4 0.787 -8.915 -16.707 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -0.758 -8.748 -15.898 1.00 0.00 H new ATOM 17 N PHE A -3 -1.196 -6.229 -16.753 1.00 0.00 N ATOM 18 CA PHE A -3 -1.645 -4.961 -16.185 1.00 0.00 C ATOM 19 C PHE A -3 -1.336 -3.861 -17.206 1.00 0.00 C ATOM 20 O PHE A -3 -0.230 -3.821 -17.745 1.00 0.00 O ATOM 21 CB PHE A -3 -0.958 -4.681 -14.833 1.00 0.00 C ATOM 22 CG PHE A -3 -1.004 -3.223 -14.392 1.00 0.00 C ATOM 23 CD1 PHE A -3 -0.039 -2.325 -14.889 1.00 0.00 C ATOM 24 CD2 PHE A -3 -1.973 -2.757 -13.477 1.00 0.00 C ATOM 25 CE1 PHE A -3 -0.079 -0.970 -14.531 1.00 0.00 C ATOM 26 CE2 PHE A -3 -2.047 -1.389 -13.167 1.00 0.00 C ATOM 27 CZ PHE A -3 -1.091 -0.500 -13.679 1.00 0.00 C ATOM 0 H PHE A -3 -0.567 -6.762 -16.152 1.00 0.00 H new ATOM 0 HA PHE A -3 -2.716 -4.996 -15.985 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -1.430 -5.295 -14.066 1.00 0.00 H new ATOM 0 HB3 PHE A -3 0.084 -4.996 -14.897 1.00 0.00 H new ATOM 0 HD1 PHE A -3 0.737 -2.683 -15.550 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -2.658 -3.453 -13.015 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.668 -0.288 -14.910 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -2.841 -1.022 -12.534 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.133 0.547 -13.418 1.00 0.00 H new ATOM 28 N LYS A -2 -2.304 -2.980 -17.468 1.00 0.00 N ATOM 29 CA LYS A -2 -2.099 -1.783 -18.264 1.00 0.00 C ATOM 30 C LYS A -2 -2.201 -0.578 -17.334 1.00 0.00 C ATOM 31 O LYS A -2 -3.090 -0.525 -16.486 1.00 0.00 O ATOM 32 CB LYS A -2 -3.088 -1.724 -19.438 1.00 0.00 C ATOM 33 CG LYS A -2 -4.565 -1.776 -19.023 1.00 0.00 C ATOM 34 CD LYS A -2 -5.482 -1.374 -20.188 1.00 0.00 C ATOM 35 CE LYS A -2 -5.389 -2.287 -21.421 1.00 0.00 C ATOM 36 NZ LYS A -2 -5.731 -3.691 -21.113 1.00 0.00 N ATOM 0 H LYS A -2 -3.260 -3.085 -17.127 1.00 0.00 H new ATOM 0 HA LYS A -2 -1.110 -1.788 -18.721 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -2.913 -0.807 -20.000 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -2.883 -2.555 -20.113 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -4.817 -2.783 -18.689 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -4.732 -1.108 -18.178 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -6.513 -1.366 -19.835 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -5.240 -0.354 -20.488 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -6.059 -1.915 -22.196 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -4.378 -2.243 -21.826 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -5.686 -4.258 -21.983 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -5.055 -4.069 -20.418 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -6.693 -3.736 -20.720 1.00 0.00 H new ATOM 37 N ALA A -1 -1.286 0.378 -17.490 1.00 0.00 N ATOM 38 CA ALA A -1 -1.277 1.588 -16.689 1.00 0.00 C ATOM 39 C ALA A -1 -2.529 2.424 -16.960 1.00 0.00 C ATOM 40 O ALA A -1 -2.947 2.562 -18.109 1.00 0.00 O ATOM 41 CB ALA A -1 0.001 2.374 -16.986 1.00 0.00 C ATOM 0 H ALA A -1 -0.533 0.330 -18.176 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.289 1.328 -15.630 1.00 0.00 H new ATOM 0 HB1 ALA A -1 0.015 3.285 -16.388 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.869 1.764 -16.738 1.00 0.00 H new ATOM 0 HB3 ALA A -1 0.030 2.634 -18.044 1.00 0.00 H new ATOM 42 N GLY A 1 -3.101 2.994 -15.897 1.00 0.00 N ATOM 43 CA GLY A 1 -4.039 4.101 -15.979 1.00 0.00 C ATOM 44 C GLY A 1 -3.236 5.391 -16.141 1.00 0.00 C ATOM 45 O GLY A 1 -2.212 5.398 -16.826 1.00 0.00 O ATOM 0 H GLY A 1 -2.918 2.689 -14.941 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.716 3.965 -16.823 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.655 4.146 -15.081 1.00 0.00 H new ATOM 46 N SER A 2 -3.654 6.479 -15.494 1.00 0.00 N ATOM 47 CA SER A 2 -2.856 7.696 -15.467 1.00 0.00 C ATOM 48 C SER A 2 -1.890 7.665 -14.282 1.00 0.00 C ATOM 49 O SER A 2 -2.136 7.013 -13.270 1.00 0.00 O ATOM 50 CB SER A 2 -3.767 8.924 -15.402 1.00 0.00 C ATOM 51 OG SER A 2 -2.992 10.112 -15.515 1.00 0.00 O ATOM 0 H SER A 2 -4.536 6.539 -14.985 1.00 0.00 H new ATOM 0 HA SER A 2 -2.269 7.758 -16.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.504 8.883 -16.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.319 8.928 -14.462 1.00 0.00 H new ATOM 0 HG SER A 2 -3.583 10.893 -15.474 1.00 0.00 H new ATOM 52 N ALA A 3 -0.788 8.410 -14.406 1.00 0.00 N ATOM 53 CA ALA A 3 0.046 8.767 -13.269 1.00 0.00 C ATOM 54 C ALA A 3 -0.647 9.849 -12.441 1.00 0.00 C ATOM 55 O ALA A 3 -0.491 9.899 -11.224 1.00 0.00 O ATOM 56 CB ALA A 3 1.403 9.273 -13.759 1.00 0.00 C ATOM 0 H ALA A 3 -0.455 8.779 -15.297 1.00 0.00 H new ATOM 0 HA ALA A 3 0.201 7.886 -12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.023 9.539 -12.903 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.897 8.491 -14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.258 10.151 -14.389 1.00 0.00 H new ATOM 57 N LYS A 4 -1.392 10.745 -13.099 1.00 0.00 N ATOM 58 CA LYS A 4 -2.202 11.727 -12.398 1.00 0.00 C ATOM 59 C LYS A 4 -3.505 11.037 -11.993 1.00 0.00 C ATOM 60 O LYS A 4 -3.723 9.889 -12.367 1.00 0.00 O ATOM 61 CB LYS A 4 -2.440 12.947 -13.301 1.00 0.00 C ATOM 62 CG LYS A 4 -1.105 13.611 -13.677 1.00 0.00 C ATOM 63 CD LYS A 4 -1.271 14.823 -14.608 1.00 0.00 C ATOM 64 CE LYS A 4 -1.964 16.008 -13.916 1.00 0.00 C ATOM 65 NZ LYS A 4 -1.960 17.224 -14.758 1.00 0.00 N ATOM 0 H LYS A 4 -1.445 10.804 -14.116 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.702 12.097 -11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.967 12.640 -14.205 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.079 13.666 -12.788 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.595 13.928 -12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.464 12.874 -14.161 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.291 15.138 -14.966 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.850 14.528 -15.483 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.992 15.737 -13.677 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.462 16.220 -12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.437 17.998 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.979 17.499 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.461 17.031 -15.649 1.00 0.00 H new ATOM 66 N LYS A 5 -4.362 11.704 -11.213 1.00 0.00 N ATOM 67 CA LYS A 5 -5.690 11.234 -10.813 1.00 0.00 C ATOM 68 C LYS A 5 -5.562 10.193 -9.698 1.00 0.00 C ATOM 69 O LYS A 5 -6.092 10.373 -8.603 1.00 0.00 O ATOM 70 CB LYS A 5 -6.476 10.736 -12.040 1.00 0.00 C ATOM 71 CG LYS A 5 -7.988 10.663 -11.816 1.00 0.00 C ATOM 72 CD LYS A 5 -8.636 10.367 -13.175 1.00 0.00 C ATOM 73 CE LYS A 5 -10.158 10.247 -13.060 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.770 9.986 -14.377 1.00 0.00 N ATOM 0 H LYS A 5 -4.140 12.622 -10.829 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.270 12.059 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.274 11.398 -12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.111 9.747 -12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.233 9.883 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.362 11.602 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.385 11.161 -13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.227 9.441 -13.580 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.412 9.441 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.568 11.166 -12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.802 9.909 -14.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.546 10.768 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.394 9.097 -14.764 1.00 0.00 H new ATOM 75 N GLY A 6 -4.764 9.159 -9.946 1.00 0.00 N ATOM 76 CA GLY A 6 -4.284 8.232 -8.938 1.00 0.00 C ATOM 77 C GLY A 6 -3.647 8.991 -7.775 1.00 0.00 C ATOM 78 O GLY A 6 -3.841 8.639 -6.615 1.00 0.00 O ATOM 0 H GLY A 6 -4.426 8.940 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.110 7.622 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.556 7.551 -9.379 1.00 0.00 H new ATOM 79 N ALA A 7 -2.925 10.072 -8.088 1.00 0.00 N ATOM 80 CA ALA A 7 -2.377 10.988 -7.101 1.00 0.00 C ATOM 81 C ALA A 7 -3.483 11.536 -6.201 1.00 0.00 C ATOM 82 O ALA A 7 -3.378 11.499 -4.977 1.00 0.00 O ATOM 83 CB ALA A 7 -1.646 12.128 -7.820 1.00 0.00 C ATOM 0 H ALA A 7 -2.706 10.333 -9.049 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.669 10.453 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.233 12.817 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.838 11.717 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.346 12.661 -8.463 1.00 0.00 H new ATOM 84 N THR A 8 -4.555 12.049 -6.803 1.00 0.00 N ATOM 85 CA THR A 8 -5.681 12.603 -6.078 1.00 0.00 C ATOM 86 C THR A 8 -6.304 11.517 -5.201 1.00 0.00 C ATOM 87 O THR A 8 -6.577 11.747 -4.028 1.00 0.00 O ATOM 88 CB THR A 8 -6.677 13.165 -7.100 1.00 0.00 C ATOM 89 OG1 THR A 8 -5.969 13.897 -8.085 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.717 14.069 -6.433 1.00 0.00 C ATOM 0 H THR A 8 -4.660 12.089 -7.817 1.00 0.00 H new ATOM 0 HA THR A 8 -5.369 13.412 -5.418 1.00 0.00 H new ATOM 0 HB THR A 8 -7.207 12.330 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.601 14.257 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.406 14.449 -7.187 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.272 13.498 -5.689 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.214 14.905 -5.947 1.00 0.00 H new ATOM 91 N LEU A 9 -6.491 10.324 -5.768 1.00 0.00 N ATOM 92 CA LEU A 9 -7.047 9.173 -5.081 1.00 0.00 C ATOM 93 C LEU A 9 -6.211 8.854 -3.839 1.00 0.00 C ATOM 94 O LEU A 9 -6.742 8.766 -2.736 1.00 0.00 O ATOM 95 CB LEU A 9 -7.095 7.995 -6.069 1.00 0.00 C ATOM 96 CG LEU A 9 -8.501 7.606 -6.547 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.324 7.030 -5.397 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.236 8.768 -7.226 1.00 0.00 C ATOM 0 H LEU A 9 -6.252 10.134 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.061 9.377 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.488 8.245 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.634 7.126 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.376 6.833 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.317 6.761 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.828 6.142 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.415 7.775 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.225 8.437 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.339 9.594 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.668 9.100 -8.095 1.00 0.00 H new ATOM 99 N PHE A 10 -4.895 8.712 -4.016 1.00 0.00 N ATOM 100 CA PHE A 10 -3.955 8.537 -2.919 1.00 0.00 C ATOM 101 C PHE A 10 -4.189 9.614 -1.863 1.00 0.00 C ATOM 102 O PHE A 10 -4.367 9.315 -0.679 1.00 0.00 O ATOM 103 CB PHE A 10 -2.519 8.585 -3.457 1.00 0.00 C ATOM 104 CG PHE A 10 -1.446 8.487 -2.391 1.00 0.00 C ATOM 105 CD1 PHE A 10 -0.980 7.227 -1.982 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.922 9.652 -1.798 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.034 7.126 -0.947 1.00 0.00 C ATOM 108 CE2 PHE A 10 0.008 9.551 -0.750 1.00 0.00 C ATOM 109 CZ PHE A 10 0.428 8.287 -0.304 1.00 0.00 C ATOM 0 H PHE A 10 -4.453 8.716 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.110 7.565 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.383 7.770 -4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.382 9.515 -4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.349 6.334 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.235 10.624 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.337 6.157 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.400 10.445 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.106 8.207 0.533 1.00 0.00 H new ATOM 110 N LYS A 11 -4.215 10.872 -2.311 1.00 0.00 N ATOM 111 CA LYS A 11 -4.384 12.015 -1.428 1.00 0.00 C ATOM 112 C LYS A 11 -5.708 11.961 -0.659 1.00 0.00 C ATOM 113 O LYS A 11 -5.746 12.372 0.498 1.00 0.00 O ATOM 114 CB LYS A 11 -4.189 13.327 -2.202 1.00 0.00 C ATOM 115 CG LYS A 11 -2.705 13.513 -2.557 1.00 0.00 C ATOM 116 CD LYS A 11 -2.461 14.694 -3.506 1.00 0.00 C ATOM 117 CE LYS A 11 -2.768 16.040 -2.832 1.00 0.00 C ATOM 118 NZ LYS A 11 -2.389 17.186 -3.683 1.00 0.00 N ATOM 0 H LYS A 11 -4.119 11.120 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.607 11.974 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.790 13.315 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.536 14.168 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.134 13.666 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.330 12.599 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.424 14.683 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.083 14.582 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.832 16.096 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.234 16.101 -1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.613 18.074 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.369 17.148 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.918 17.144 -4.578 1.00 0.00 H new ATOM 119 N THR A 12 -6.785 11.452 -1.265 1.00 0.00 N ATOM 120 CA THR A 12 -8.089 11.377 -0.617 1.00 0.00 C ATOM 121 C THR A 12 -8.344 10.013 0.037 1.00 0.00 C ATOM 122 O THR A 12 -9.468 9.762 0.471 1.00 0.00 O ATOM 123 CB THR A 12 -9.186 11.739 -1.628 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.101 10.902 -2.763 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.055 13.200 -2.075 1.00 0.00 C ATOM 0 H THR A 12 -6.773 11.083 -2.216 1.00 0.00 H new ATOM 0 HA THR A 12 -8.105 12.101 0.197 1.00 0.00 H new ATOM 0 HB THR A 12 -10.150 11.599 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.364 11.202 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.843 13.433 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.146 13.855 -1.209 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.082 13.351 -2.543 1.00 0.00 H new ATOM 126 N ARG A 13 -7.339 9.134 0.131 1.00 0.00 N ATOM 127 CA ARG A 13 -7.500 7.833 0.770 1.00 0.00 C ATOM 128 C ARG A 13 -6.265 7.470 1.590 1.00 0.00 C ATOM 129 O ARG A 13 -6.318 7.412 2.815 1.00 0.00 O ATOM 130 CB ARG A 13 -7.779 6.740 -0.275 1.00 0.00 C ATOM 131 CG ARG A 13 -9.097 6.922 -1.042 1.00 0.00 C ATOM 132 CD ARG A 13 -9.361 5.631 -1.834 1.00 0.00 C ATOM 133 NE ARG A 13 -10.487 5.728 -2.780 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.788 5.613 -2.486 1.00 0.00 C ATOM 135 NH1 ARG A 13 -12.175 5.603 -1.207 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.686 5.494 -3.473 1.00 0.00 N ATOM 0 H ARG A 13 -6.401 9.307 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.355 7.899 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.956 6.718 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.793 5.771 0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.917 7.121 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.033 7.777 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.459 5.364 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.558 4.820 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.251 5.900 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.481 5.683 -0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.164 5.516 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.378 5.491 -4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.678 5.406 -3.252 1.00 0.00 H new ATOM 137 N CYS A 14 -5.160 7.160 0.915 1.00 0.00 N ATOM 138 CA CYS A 14 -4.021 6.495 1.528 1.00 0.00 C ATOM 139 C CYS A 14 -3.298 7.489 2.430 1.00 0.00 C ATOM 140 O CYS A 14 -2.959 7.171 3.571 1.00 0.00 O ATOM 141 CB CYS A 14 -3.097 5.931 0.474 1.00 0.00 C ATOM 142 SG CYS A 14 -3.931 5.151 -0.945 1.00 0.00 S ATOM 0 H CYS A 14 -5.033 7.365 -0.076 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.367 5.655 2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.459 6.734 0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.444 5.194 0.942 1.00 0.00 H new ATOM 143 N LEU A 15 -3.112 8.714 1.922 1.00 0.00 N ATOM 144 CA LEU A 15 -2.450 9.820 2.605 1.00 0.00 C ATOM 145 C LEU A 15 -2.953 10.008 4.036 1.00 0.00 C ATOM 146 O LEU A 15 -2.185 10.427 4.898 1.00 0.00 O ATOM 147 CB LEU A 15 -2.675 11.095 1.784 1.00 0.00 C ATOM 148 CG LEU A 15 -2.013 12.370 2.320 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.603 12.504 1.751 1.00 0.00 C ATOM 150 CD2 LEU A 15 -2.845 13.611 1.975 1.00 0.00 C ATOM 0 H LEU A 15 -3.433 8.966 0.987 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.386 9.595 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.311 10.919 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.748 11.271 1.711 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.955 12.295 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.140 13.412 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.008 11.640 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.653 12.556 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.352 14.500 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.940 13.696 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.836 13.520 2.420 1.00 0.00 H new ATOM 151 N GLN A 16 -4.231 9.716 4.297 1.00 0.00 N ATOM 152 CA GLN A 16 -4.793 9.676 5.641 1.00 0.00 C ATOM 153 C GLN A 16 -3.809 8.997 6.601 1.00 0.00 C ATOM 154 O GLN A 16 -3.368 9.594 7.586 1.00 0.00 O ATOM 155 CB GLN A 16 -6.126 8.911 5.573 1.00 0.00 C ATOM 156 CG GLN A 16 -6.904 8.885 6.896 1.00 0.00 C ATOM 157 CD GLN A 16 -8.168 8.029 6.799 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.480 7.457 5.759 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.919 7.926 7.890 1.00 0.00 N ATOM 0 H GLN A 16 -4.910 9.499 3.567 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.971 10.684 6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.753 9.363 4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.928 7.886 5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.262 8.496 7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.176 9.902 7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.644 8.408 8.746 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.770 7.365 7.872 1.00 0.00 H new ATOM 160 N CYS A 17 -3.455 7.754 6.274 1.00 0.00 N ATOM 161 CA CYS A 17 -2.804 6.805 7.162 1.00 0.00 C ATOM 162 C CYS A 17 -1.320 6.637 6.839 1.00 0.00 C ATOM 163 O CYS A 17 -0.525 6.328 7.733 1.00 0.00 O ATOM 164 CB CYS A 17 -3.507 5.479 7.029 1.00 0.00 C ATOM 165 SG CYS A 17 -5.162 5.562 7.781 1.00 0.00 S ATOM 0 H CYS A 17 -3.623 7.370 5.344 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.868 7.183 8.182 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.592 5.209 5.976 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.919 4.698 7.512 1.00 0.00 H new ATOM 166 N HIS A 18 -0.976 6.802 5.560 1.00 0.00 N ATOM 167 CA HIS A 18 0.324 6.521 4.972 1.00 0.00 C ATOM 168 C HIS A 18 1.077 7.788 4.570 1.00 0.00 C ATOM 169 O HIS A 18 0.571 8.906 4.672 1.00 0.00 O ATOM 170 CB HIS A 18 0.101 5.648 3.732 1.00 0.00 C ATOM 171 CG HIS A 18 -0.288 4.245 4.085 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.607 3.284 4.467 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.503 3.641 3.912 1.00 0.00 C ATOM 174 CE1 HIS A 18 -0.035 2.114 4.499 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.325 2.277 4.178 1.00 0.00 N ATOM 0 H HIS A 18 -1.640 7.156 4.872 1.00 0.00 H new ATOM 0 HA HIS A 18 0.935 6.014 5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.678 6.093 3.113 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.013 5.630 3.135 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.591 3.435 4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.425 4.124 3.625 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.422 1.168 4.749 1.00 0.00 H new ATOM 176 N THR A 19 2.295 7.564 4.074 1.00 0.00 N ATOM 177 CA THR A 19 3.150 8.515 3.391 1.00 0.00 C ATOM 178 C THR A 19 3.814 7.776 2.220 1.00 0.00 C ATOM 179 O THR A 19 3.891 6.546 2.249 1.00 0.00 O ATOM 180 CB THR A 19 4.186 9.077 4.380 1.00 0.00 C ATOM 181 OG1 THR A 19 4.880 8.045 5.069 1.00 0.00 O ATOM 182 CG2 THR A 19 3.515 10.006 5.393 1.00 0.00 C ATOM 0 H THR A 19 2.734 6.646 4.148 1.00 0.00 H new ATOM 0 HA THR A 19 2.583 9.363 3.005 1.00 0.00 H new ATOM 0 HB THR A 19 4.912 9.640 3.793 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.741 8.145 6.034 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.264 10.393 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.042 10.836 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.760 9.452 5.950 1.00 0.00 H new ATOM 183 N VAL A 20 4.249 8.505 1.183 1.00 0.00 N ATOM 184 CA VAL A 20 4.969 7.971 0.022 1.00 0.00 C ATOM 185 C VAL A 20 6.311 8.695 -0.191 1.00 0.00 C ATOM 186 O VAL A 20 7.039 8.416 -1.144 1.00 0.00 O ATOM 187 CB VAL A 20 4.034 8.051 -1.200 1.00 0.00 C ATOM 188 CG1 VAL A 20 3.852 9.482 -1.723 1.00 0.00 C ATOM 189 CG2 VAL A 20 4.459 7.121 -2.346 1.00 0.00 C ATOM 0 H VAL A 20 4.104 9.513 1.129 1.00 0.00 H new ATOM 0 HA VAL A 20 5.235 6.927 0.187 1.00 0.00 H new ATOM 0 HB VAL A 20 3.069 7.704 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.183 9.473 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.424 10.105 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.820 9.887 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.760 7.224 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.461 7.389 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.457 6.089 -1.996 1.00 0.00 H new ATOM 190 N GLU A 21 6.652 9.632 0.697 1.00 0.00 N ATOM 191 CA GLU A 21 7.933 10.320 0.693 1.00 0.00 C ATOM 192 C GLU A 21 9.037 9.350 1.121 1.00 0.00 C ATOM 193 O GLU A 21 8.749 8.328 1.741 1.00 0.00 O ATOM 194 CB GLU A 21 7.821 11.521 1.639 1.00 0.00 C ATOM 195 CG GLU A 21 7.641 11.078 3.099 1.00 0.00 C ATOM 196 CD GLU A 21 6.946 12.147 3.927 1.00 0.00 C ATOM 197 OE1 GLU A 21 7.650 13.085 4.352 1.00 0.00 O ATOM 198 OE2 GLU A 21 5.719 11.997 4.109 1.00 0.00 O ATOM 0 H GLU A 21 6.032 9.934 1.448 1.00 0.00 H new ATOM 0 HA GLU A 21 8.191 10.678 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.716 12.137 1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.977 12.142 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.059 10.157 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.615 10.855 3.535 1.00 0.00 H new ATOM 199 N LYS A 22 10.299 9.667 0.809 1.00 0.00 N ATOM 200 CA LYS A 22 11.444 8.874 1.190 1.00 0.00 C ATOM 201 C LYS A 22 11.426 8.540 2.688 1.00 0.00 C ATOM 202 O LYS A 22 11.534 9.436 3.525 1.00 0.00 O ATOM 203 CB LYS A 22 12.700 9.671 0.849 1.00 0.00 C ATOM 204 CG LYS A 22 13.032 9.690 -0.647 1.00 0.00 C ATOM 205 CD LYS A 22 14.542 9.858 -0.862 1.00 0.00 C ATOM 206 CE LYS A 22 15.071 11.198 -0.327 1.00 0.00 C ATOM 207 NZ LYS A 22 16.546 11.261 -0.355 1.00 0.00 N ATOM 0 H LYS A 22 10.544 10.500 0.274 1.00 0.00 H new ATOM 0 HA LYS A 22 11.424 7.928 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.574 10.696 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.545 9.251 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.694 8.764 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.497 10.505 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.068 9.041 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.764 9.783 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.662 12.013 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.721 11.344 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.861 12.181 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.937 10.499 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.880 11.148 -1.333 1.00 0.00 H new ATOM 208 N GLY A 23 11.331 7.253 3.029 1.00 0.00 N ATOM 209 CA GLY A 23 11.377 6.788 4.407 1.00 0.00 C ATOM 210 C GLY A 23 10.043 7.048 5.099 1.00 0.00 C ATOM 211 O GLY A 23 9.319 6.102 5.381 1.00 0.00 O ATOM 0 H GLY A 23 11.219 6.502 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.605 5.722 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.178 7.297 4.943 1.00 0.00 H new ATOM 212 N GLY A 24 9.739 8.328 5.336 1.00 0.00 N ATOM 213 CA GLY A 24 8.448 8.857 5.760 1.00 0.00 C ATOM 214 C GLY A 24 7.921 8.364 7.117 1.00 0.00 C ATOM 215 O GLY A 24 8.117 7.214 7.514 1.00 0.00 O ATOM 0 H GLY A 24 10.435 9.065 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.519 9.944 5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.710 8.610 4.997 1.00 0.00 H new ATOM 216 N PRO A 25 7.199 9.221 7.857 1.00 0.00 N ATOM 217 CA PRO A 25 6.571 8.806 9.094 1.00 0.00 C ATOM 218 C PRO A 25 5.485 7.774 8.788 1.00 0.00 C ATOM 219 O PRO A 25 4.587 8.009 7.972 1.00 0.00 O ATOM 220 CB PRO A 25 6.018 10.079 9.734 1.00 0.00 C ATOM 221 CG PRO A 25 5.787 11.009 8.542 1.00 0.00 C ATOM 222 CD PRO A 25 6.882 10.607 7.550 1.00 0.00 C ATOM 0 HA PRO A 25 7.264 8.324 9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.093 9.886 10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.722 10.508 10.447 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.792 10.875 8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.872 12.057 8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.537 10.711 6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.761 11.243 7.657 1.00 0.00 H new ATOM 223 N HIS A 26 5.574 6.623 9.454 1.00 0.00 N ATOM 224 CA HIS A 26 4.617 5.536 9.332 1.00 0.00 C ATOM 225 C HIS A 26 3.412 5.850 10.225 1.00 0.00 C ATOM 226 O HIS A 26 3.147 5.137 11.188 1.00 0.00 O ATOM 227 CB HIS A 26 5.289 4.223 9.747 1.00 0.00 C ATOM 228 CG HIS A 26 6.432 3.766 8.873 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.373 4.540 8.226 1.00 0.00 N ATOM 230 CD2 HIS A 26 6.748 2.457 8.632 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.224 3.692 7.624 1.00 0.00 C ATOM 232 NE2 HIS A 26 7.877 2.417 7.828 1.00 0.00 N ATOM 0 H HIS A 26 6.332 6.421 10.106 1.00 0.00 H new ATOM 0 HA HIS A 26 4.276 5.431 8.302 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.657 4.332 10.767 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.532 3.439 9.763 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.415 5.559 8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.209 1.599 9.005 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.082 4.002 7.047 1.00 0.00 H new ATOM 233 N LYS A 27 2.730 6.961 9.927 1.00 0.00 N ATOM 234 CA LYS A 27 1.724 7.595 10.767 1.00 0.00 C ATOM 235 C LYS A 27 0.767 6.584 11.406 1.00 0.00 C ATOM 236 O LYS A 27 0.816 6.350 12.611 1.00 0.00 O ATOM 237 CB LYS A 27 0.936 8.576 9.902 1.00 0.00 C ATOM 238 CG LYS A 27 1.693 9.863 9.561 1.00 0.00 C ATOM 239 CD LYS A 27 0.729 10.877 8.927 1.00 0.00 C ATOM 240 CE LYS A 27 0.032 10.293 7.689 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.877 11.248 7.038 1.00 0.00 N ATOM 0 H LYS A 27 2.876 7.462 9.050 1.00 0.00 H new ATOM 0 HA LYS A 27 2.231 8.106 11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.653 8.078 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.012 8.837 10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.138 10.284 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.510 9.645 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.020 11.176 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.278 11.776 8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.787 9.971 6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.530 9.405 7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.066 10.938 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.772 11.291 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.438 12.191 7.023 1.00 0.00 H new ATOM 242 N VAL A 28 -0.131 6.024 10.593 1.00 0.00 N ATOM 243 CA VAL A 28 -0.990 4.918 10.988 1.00 0.00 C ATOM 244 C VAL A 28 -0.496 3.659 10.297 1.00 0.00 C ATOM 245 O VAL A 28 -0.400 2.620 10.949 1.00 0.00 O ATOM 246 CB VAL A 28 -2.457 5.220 10.653 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.373 4.006 10.853 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.978 6.342 11.545 1.00 0.00 C ATOM 0 H VAL A 28 -0.280 6.333 9.632 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.944 4.772 12.067 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.476 5.505 9.601 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.398 4.278 10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.044 3.192 10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.328 3.684 11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.020 6.548 11.299 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.905 6.040 12.590 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.382 7.241 11.385 1.00 0.00 H new ATOM 249 N GLY A 29 -0.217 3.741 8.992 1.00 0.00 N ATOM 250 CA GLY A 29 0.282 2.638 8.186 1.00 0.00 C ATOM 251 C GLY A 29 1.724 2.912 7.761 1.00 0.00 C ATOM 252 O GLY A 29 2.161 4.064 7.791 1.00 0.00 O ATOM 0 H GLY A 29 -0.338 4.602 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.232 1.709 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.347 2.507 7.305 1.00 0.00 H new ATOM 253 N PRO A 30 2.475 1.872 7.372 1.00 0.00 N ATOM 254 CA PRO A 30 3.871 1.993 7.010 1.00 0.00 C ATOM 255 C PRO A 30 4.053 2.793 5.730 1.00 0.00 C ATOM 256 O PRO A 30 3.201 2.774 4.850 1.00 0.00 O ATOM 257 CB PRO A 30 4.406 0.570 6.849 1.00 0.00 C ATOM 258 CG PRO A 30 3.146 -0.218 6.495 1.00 0.00 C ATOM 259 CD PRO A 30 2.052 0.492 7.289 1.00 0.00 C ATOM 0 HA PRO A 30 4.419 2.534 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.159 0.506 6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.869 0.204 7.765 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.945 -0.195 5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.234 -1.266 6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.086 0.406 6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.939 0.055 8.281 1.00 0.00 H new ATOM 260 N ASN A 31 5.175 3.495 5.617 1.00 0.00 N ATOM 261 CA ASN A 31 5.457 4.307 4.445 1.00 0.00 C ATOM 262 C ASN A 31 5.510 3.442 3.180 1.00 0.00 C ATOM 263 O ASN A 31 6.045 2.335 3.212 1.00 0.00 O ATOM 264 CB ASN A 31 6.778 5.030 4.663 1.00 0.00 C ATOM 265 CG ASN A 31 7.221 5.771 3.412 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.935 5.212 2.590 1.00 0.00 O ATOM 267 ND2 ASN A 31 6.803 7.017 3.244 1.00 0.00 N ATOM 0 H ASN A 31 5.906 3.516 6.328 1.00 0.00 H new ATOM 0 HA ASN A 31 4.659 5.036 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.676 5.735 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.544 4.311 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.076 7.538 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.209 7.455 3.948 1.00 0.00 H new ATOM 268 N LEU A 32 4.945 3.942 2.077 1.00 0.00 N ATOM 269 CA LEU A 32 4.777 3.209 0.831 1.00 0.00 C ATOM 270 C LEU A 32 5.747 3.696 -0.253 1.00 0.00 C ATOM 271 O LEU A 32 5.515 3.465 -1.438 1.00 0.00 O ATOM 272 CB LEU A 32 3.316 3.354 0.371 1.00 0.00 C ATOM 273 CG LEU A 32 2.287 2.856 1.402 1.00 0.00 C ATOM 274 CD1 LEU A 32 0.878 3.017 0.825 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.511 1.388 1.785 1.00 0.00 C ATOM 0 H LEU A 32 4.584 4.895 2.031 1.00 0.00 H new ATOM 0 HA LEU A 32 5.009 2.158 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.117 4.403 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.181 2.801 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 32 2.407 3.455 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.145 2.666 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.694 4.068 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.791 2.432 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.760 1.084 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.427 0.763 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.505 1.272 2.217 1.00 0.00 H new ATOM 276 N HIS A 33 6.845 4.360 0.120 1.00 0.00 N ATOM 277 CA HIS A 33 7.887 4.702 -0.834 1.00 0.00 C ATOM 278 C HIS A 33 8.652 3.435 -1.201 1.00 0.00 C ATOM 279 O HIS A 33 8.845 2.559 -0.360 1.00 0.00 O ATOM 280 CB HIS A 33 8.822 5.737 -0.219 1.00 0.00 C ATOM 281 CG HIS A 33 9.776 6.341 -1.207 1.00 0.00 C ATOM 282 ND1 HIS A 33 9.541 7.459 -1.973 1.00 0.00 N ATOM 283 CD2 HIS A 33 11.067 5.942 -1.426 1.00 0.00 C ATOM 284 CE1 HIS A 33 10.679 7.733 -2.634 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.643 6.849 -2.316 1.00 0.00 N ATOM 0 H HIS A 33 7.029 4.668 1.075 1.00 0.00 H new ATOM 0 HA HIS A 33 7.448 5.128 -1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.227 6.531 0.232 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.391 5.270 0.585 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.667 7.982 -2.029 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.552 5.081 -0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.803 8.552 -3.327 1.00 0.00 H new ATOM 286 N GLY A 34 9.075 3.317 -2.459 1.00 0.00 N ATOM 287 CA GLY A 34 9.773 2.143 -2.955 1.00 0.00 C ATOM 288 C GLY A 34 8.972 0.853 -2.788 1.00 0.00 C ATOM 289 O GLY A 34 9.538 -0.228 -2.857 1.00 0.00 O ATOM 0 H GLY A 34 8.939 4.042 -3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.005 2.285 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.723 2.044 -2.430 1.00 0.00 H new ATOM 290 N ILE A 35 7.658 0.927 -2.583 1.00 0.00 N ATOM 291 CA ILE A 35 6.877 -0.261 -2.275 1.00 0.00 C ATOM 292 C ILE A 35 6.881 -1.253 -3.447 1.00 0.00 C ATOM 293 O ILE A 35 6.835 -2.458 -3.228 1.00 0.00 O ATOM 294 CB ILE A 35 5.477 0.157 -1.793 1.00 0.00 C ATOM 295 CG1 ILE A 35 4.567 -1.001 -1.370 1.00 0.00 C ATOM 296 CG2 ILE A 35 4.705 0.906 -2.866 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.004 -1.608 -0.056 1.00 0.00 C ATOM 0 H ILE A 35 7.119 1.792 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 35 7.337 -0.810 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 35 5.701 0.780 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.541 -0.643 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.572 -1.768 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.723 1.182 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.251 1.807 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.586 0.268 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.333 -2.425 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.021 -1.990 -0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.974 -0.847 0.724 1.00 0.00 H new ATOM 298 N PHE A 36 6.964 -0.772 -4.693 1.00 0.00 N ATOM 299 CA PHE A 36 6.968 -1.647 -5.856 1.00 0.00 C ATOM 300 C PHE A 36 8.343 -2.281 -6.029 1.00 0.00 C ATOM 301 O PHE A 36 9.273 -1.630 -6.499 1.00 0.00 O ATOM 302 CB PHE A 36 6.540 -0.896 -7.119 1.00 0.00 C ATOM 303 CG PHE A 36 5.048 -0.644 -7.164 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.481 0.274 -6.264 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.207 -1.468 -7.939 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.096 0.317 -6.083 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.811 -1.353 -7.825 1.00 0.00 C ATOM 308 CZ PHE A 36 2.260 -0.471 -6.882 1.00 0.00 C ATOM 0 H PHE A 36 7.029 0.221 -4.915 1.00 0.00 H new ATOM 0 HA PHE A 36 6.240 -2.441 -5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.068 0.056 -7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.835 -1.470 -7.997 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.117 0.948 -5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.636 -2.188 -8.621 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.670 0.959 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.165 -1.941 -8.460 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.188 -0.400 -6.773 1.00 0.00 H new ATOM 309 N GLY A 37 8.450 -3.563 -5.687 1.00 0.00 N ATOM 310 CA GLY A 37 9.592 -4.407 -6.008 1.00 0.00 C ATOM 311 C GLY A 37 10.453 -4.690 -4.783 1.00 0.00 C ATOM 312 O GLY A 37 11.134 -5.713 -4.726 1.00 0.00 O ATOM 0 H GLY A 37 7.724 -4.054 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.240 -5.349 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.198 -3.922 -6.773 1.00 0.00 H new ATOM 313 N ARG A 38 10.438 -3.790 -3.799 1.00 0.00 N ATOM 314 CA ARG A 38 11.070 -4.047 -2.521 1.00 0.00 C ATOM 315 C ARG A 38 10.109 -4.957 -1.750 1.00 0.00 C ATOM 316 O ARG A 38 8.971 -4.562 -1.505 1.00 0.00 O ATOM 317 CB ARG A 38 11.307 -2.729 -1.771 1.00 0.00 C ATOM 318 CG ARG A 38 11.955 -1.593 -2.579 1.00 0.00 C ATOM 319 CD ARG A 38 13.438 -1.686 -2.938 1.00 0.00 C ATOM 320 NE ARG A 38 13.813 -0.423 -3.609 1.00 0.00 N ATOM 321 CZ ARG A 38 14.714 -0.255 -4.590 1.00 0.00 C ATOM 322 NH1 ARG A 38 15.561 -1.249 -4.884 1.00 0.00 N ATOM 323 NH2 ARG A 38 14.763 0.900 -5.270 1.00 0.00 N ATOM 0 H ARG A 38 9.991 -2.876 -3.871 1.00 0.00 H new ATOM 0 HA ARG A 38 12.045 -4.521 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.349 -2.375 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.937 -2.936 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.397 -1.493 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.810 -0.669 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.040 -1.838 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.621 -2.537 -3.593 1.00 0.00 H new ATOM 0 HE ARG A 38 13.332 0.418 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.519 -2.126 -4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.249 -1.130 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.115 1.654 -5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.449 1.025 -6.015 1.00 0.00 H new ATOM 324 N GLN A 39 10.548 -6.170 -1.394 1.00 0.00 N ATOM 325 CA GLN A 39 9.732 -7.125 -0.648 1.00 0.00 C ATOM 326 C GLN A 39 9.106 -6.472 0.586 1.00 0.00 C ATOM 327 O GLN A 39 9.583 -5.466 1.113 1.00 0.00 O ATOM 328 CB GLN A 39 10.572 -8.316 -0.194 1.00 0.00 C ATOM 329 CG GLN A 39 9.835 -9.647 0.002 1.00 0.00 C ATOM 330 CD GLN A 39 10.776 -10.767 0.437 1.00 0.00 C ATOM 331 OE1 GLN A 39 10.809 -11.829 -0.175 1.00 0.00 O ATOM 332 NE2 GLN A 39 11.547 -10.550 1.498 1.00 0.00 N ATOM 0 H GLN A 39 11.482 -6.514 -1.617 1.00 0.00 H new ATOM 0 HA GLN A 39 8.942 -7.464 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.365 -8.471 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.054 -8.053 0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.053 -9.521 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.343 -9.929 -0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.500 -9.657 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.186 -11.276 1.821 1.00 0.00 H new ATOM 333 N SER A 40 8.075 -7.128 1.083 1.00 0.00 N ATOM 334 CA SER A 40 7.247 -6.675 2.175 1.00 0.00 C ATOM 335 C SER A 40 8.068 -6.640 3.450 1.00 0.00 C ATOM 336 O SER A 40 8.984 -7.447 3.632 1.00 0.00 O ATOM 337 CB SER A 40 6.011 -7.575 2.323 1.00 0.00 C ATOM 338 OG SER A 40 6.362 -8.863 2.788 1.00 0.00 O ATOM 0 H SER A 40 7.781 -8.033 0.716 1.00 0.00 H new ATOM 0 HA SER A 40 6.890 -5.666 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.306 -7.116 3.016 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.504 -7.659 1.362 1.00 0.00 H new ATOM 0 HG SER A 40 5.910 -9.038 3.640 1.00 0.00 H new ATOM 339 N GLY A 41 7.701 -5.731 4.349 1.00 0.00 N ATOM 340 CA GLY A 41 8.281 -5.727 5.674 1.00 0.00 C ATOM 341 C GLY A 41 9.785 -5.419 5.665 1.00 0.00 C ATOM 342 O GLY A 41 10.560 -6.168 6.256 1.00 0.00 O ATOM 0 H GLY A 41 7.012 -4.998 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.767 -4.987 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.117 -6.698 6.140 1.00 0.00 H new ATOM 343 N GLN A 42 10.205 -4.309 5.043 1.00 0.00 N ATOM 344 CA GLN A 42 11.580 -3.810 5.136 1.00 0.00 C ATOM 345 C GLN A 42 11.640 -2.294 5.362 1.00 0.00 C ATOM 346 O GLN A 42 12.611 -1.640 4.986 1.00 0.00 O ATOM 347 CB GLN A 42 12.397 -4.284 3.931 1.00 0.00 C ATOM 348 CG GLN A 42 12.007 -3.572 2.638 1.00 0.00 C ATOM 349 CD GLN A 42 12.831 -4.101 1.472 1.00 0.00 C ATOM 350 OE1 GLN A 42 13.899 -3.585 1.160 1.00 0.00 O ATOM 351 NE2 GLN A 42 12.346 -5.143 0.812 1.00 0.00 N ATOM 0 H GLN A 42 9.598 -3.732 4.461 1.00 0.00 H new ATOM 0 HA GLN A 42 12.042 -4.238 6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.456 -4.118 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.261 -5.358 3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.946 -3.721 2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.163 -2.499 2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.455 -5.554 1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.863 -5.534 0.025 1.00 0.00 H new ATOM 352 N ALA A 43 10.592 -1.734 5.964 1.00 0.00 N ATOM 353 CA ALA A 43 10.489 -0.315 6.267 1.00 0.00 C ATOM 354 C ALA A 43 11.146 -0.015 7.619 1.00 0.00 C ATOM 355 O ALA A 43 11.982 -0.792 8.081 1.00 0.00 O ATOM 356 CB ALA A 43 9.021 0.105 6.166 1.00 0.00 C ATOM 0 H ALA A 43 9.775 -2.269 6.259 1.00 0.00 H new ATOM 0 HA ALA A 43 11.037 0.287 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.930 1.168 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.657 -0.084 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.429 -0.469 6.879 1.00 0.00 H new ATOM 357 N GLU A 44 10.815 1.125 8.232 1.00 0.00 N ATOM 358 CA GLU A 44 11.486 1.563 9.456 1.00 0.00 C ATOM 359 C GLU A 44 11.007 0.764 10.679 1.00 0.00 C ATOM 360 O GLU A 44 10.291 -0.230 10.540 1.00 0.00 O ATOM 361 CB GLU A 44 11.426 3.098 9.584 1.00 0.00 C ATOM 362 CG GLU A 44 10.109 3.664 10.147 1.00 0.00 C ATOM 363 CD GLU A 44 10.161 4.083 11.612 1.00 0.00 C ATOM 364 OE1 GLU A 44 11.188 3.784 12.263 1.00 0.00 O ATOM 365 OE2 GLU A 44 9.164 4.696 12.047 1.00 0.00 O ATOM 0 H GLU A 44 10.088 1.759 7.901 1.00 0.00 H new ATOM 0 HA GLU A 44 12.550 1.331 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.245 3.424 10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.598 3.534 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.817 4.527 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.328 2.913 10.027 1.00 0.00 H new ATOM 366 N GLY A 45 11.391 1.179 11.888 1.00 0.00 N ATOM 367 CA GLY A 45 11.122 0.463 13.129 1.00 0.00 C ATOM 368 C GLY A 45 9.695 0.709 13.617 1.00 0.00 C ATOM 369 O GLY A 45 9.477 1.064 14.774 1.00 0.00 O ATOM 0 H GLY A 45 11.911 2.045 12.031 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.276 -0.605 12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.830 0.781 13.895 1.00 0.00 H new ATOM 370 N TYR A 46 8.726 0.497 12.729 1.00 0.00 N ATOM 371 CA TYR A 46 7.309 0.701 12.971 1.00 0.00 C ATOM 372 C TYR A 46 6.671 -0.613 13.457 1.00 0.00 C ATOM 373 O TYR A 46 7.293 -1.675 13.422 1.00 0.00 O ATOM 374 CB TYR A 46 6.707 1.315 11.691 1.00 0.00 C ATOM 375 CG TYR A 46 5.217 1.110 11.490 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.756 -0.026 10.805 1.00 0.00 C ATOM 377 CD2 TYR A 46 4.288 2.038 11.995 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.383 -0.257 10.666 1.00 0.00 C ATOM 379 CE2 TYR A 46 2.909 1.819 11.829 1.00 0.00 C ATOM 380 CZ TYR A 46 2.458 0.643 11.205 1.00 0.00 C ATOM 381 OH TYR A 46 1.130 0.417 11.017 1.00 0.00 O ATOM 0 H TYR A 46 8.920 0.165 11.784 1.00 0.00 H new ATOM 0 HA TYR A 46 7.106 1.406 13.777 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.908 2.386 11.697 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.230 0.897 10.831 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.464 -0.724 10.384 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.635 2.921 12.511 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.036 -1.134 10.140 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.198 2.552 12.180 1.00 0.00 H new ATOM 0 HH TYR A 46 0.665 1.273 10.909 1.00 0.00 H new ATOM 382 N SER A 47 5.435 -0.542 13.959 1.00 0.00 N ATOM 383 CA SER A 47 4.700 -1.643 14.558 1.00 0.00 C ATOM 384 C SER A 47 4.286 -2.687 13.510 1.00 0.00 C ATOM 385 O SER A 47 3.138 -2.736 13.077 1.00 0.00 O ATOM 386 CB SER A 47 3.504 -1.042 15.312 1.00 0.00 C ATOM 387 OG SER A 47 3.124 0.198 14.729 1.00 0.00 O ATOM 0 H SER A 47 4.901 0.327 13.955 1.00 0.00 H new ATOM 0 HA SER A 47 5.330 -2.189 15.260 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.664 -1.736 15.287 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.764 -0.894 16.360 1.00 0.00 H new ATOM 0 HG SER A 47 3.076 0.101 13.755 1.00 0.00 H new ATOM 388 N TYR A 48 5.241 -3.533 13.123 1.00 0.00 N ATOM 389 CA TYR A 48 5.079 -4.637 12.202 1.00 0.00 C ATOM 390 C TYR A 48 4.223 -5.756 12.812 1.00 0.00 C ATOM 391 O TYR A 48 3.870 -5.695 13.989 1.00 0.00 O ATOM 392 CB TYR A 48 6.495 -5.143 11.914 1.00 0.00 C ATOM 393 CG TYR A 48 7.256 -4.405 10.833 1.00 0.00 C ATOM 394 CD1 TYR A 48 6.976 -3.061 10.524 1.00 0.00 C ATOM 395 CD2 TYR A 48 8.152 -5.121 10.026 1.00 0.00 C ATOM 396 CE1 TYR A 48 7.415 -2.505 9.311 1.00 0.00 C ATOM 397 CE2 TYR A 48 8.622 -4.554 8.836 1.00 0.00 C ATOM 398 CZ TYR A 48 8.187 -3.278 8.436 1.00 0.00 C ATOM 399 OH TYR A 48 8.337 -2.868 7.144 1.00 0.00 O ATOM 0 H TYR A 48 6.198 -3.454 13.468 1.00 0.00 H new ATOM 0 HA TYR A 48 4.565 -4.319 11.295 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.073 -5.092 12.837 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.434 -6.195 11.634 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.421 -2.454 11.223 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.478 -6.107 10.322 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.158 -1.488 9.055 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.323 -5.100 8.221 1.00 0.00 H new ATOM 0 HH TYR A 48 7.458 -2.817 6.713 1.00 0.00 H new ATOM 400 N THR A 49 3.926 -6.804 12.027 1.00 0.00 N ATOM 401 CA THR A 49 3.199 -7.977 12.496 1.00 0.00 C ATOM 402 C THR A 49 3.901 -9.270 12.079 1.00 0.00 C ATOM 403 O THR A 49 4.484 -9.362 10.995 1.00 0.00 O ATOM 404 CB THR A 49 1.730 -7.962 12.033 1.00 0.00 C ATOM 405 OG1 THR A 49 1.530 -8.485 10.737 1.00 0.00 O ATOM 406 CG2 THR A 49 1.115 -6.566 12.062 1.00 0.00 C ATOM 0 H THR A 49 4.189 -6.854 11.043 1.00 0.00 H new ATOM 0 HA THR A 49 3.194 -7.939 13.585 1.00 0.00 H new ATOM 0 HB THR A 49 1.235 -8.609 12.757 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.572 -8.493 10.532 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.079 -6.618 11.726 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.147 -6.175 13.079 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.678 -5.906 11.402 1.00 0.00 H new ATOM 407 N ASP A 50 3.803 -10.286 12.944 1.00 0.00 N ATOM 408 CA ASP A 50 4.231 -11.644 12.647 1.00 0.00 C ATOM 409 C ASP A 50 3.590 -12.126 11.353 1.00 0.00 C ATOM 410 O ASP A 50 4.254 -12.665 10.474 1.00 0.00 O ATOM 411 CB ASP A 50 3.802 -12.568 13.782 1.00 0.00 C ATOM 412 CG ASP A 50 4.228 -13.996 13.487 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.415 -14.215 13.162 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.376 -14.908 13.559 1.00 0.00 O ATOM 0 H ASP A 50 3.417 -10.179 13.882 1.00 0.00 H new ATOM 0 HA ASP A 50 5.316 -11.656 12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.247 -12.235 14.720 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.720 -12.522 13.908 1.00 0.00 H new ATOM 415 N ALA A 51 2.277 -11.918 11.254 1.00 0.00 N ATOM 416 CA ALA A 51 1.505 -12.267 10.071 1.00 0.00 C ATOM 417 C ALA A 51 2.143 -11.674 8.814 1.00 0.00 C ATOM 418 O ALA A 51 2.428 -12.402 7.866 1.00 0.00 O ATOM 419 CB ALA A 51 0.062 -11.791 10.232 1.00 0.00 C ATOM 0 H ALA A 51 1.720 -11.500 11.999 1.00 0.00 H new ATOM 0 HA ALA A 51 1.501 -13.351 9.960 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.510 -12.056 9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.383 -12.268 11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.048 -10.709 10.363 1.00 0.00 H new ATOM 420 N ASN A 52 2.376 -10.358 8.807 1.00 0.00 N ATOM 421 CA ASN A 52 2.998 -9.672 7.684 1.00 0.00 C ATOM 422 C ASN A 52 4.334 -10.332 7.326 1.00 0.00 C ATOM 423 O ASN A 52 4.549 -10.691 6.169 1.00 0.00 O ATOM 424 CB ASN A 52 3.124 -8.185 8.026 1.00 0.00 C ATOM 425 CG ASN A 52 3.631 -7.332 6.868 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.676 -7.604 6.284 1.00 0.00 O ATOM 427 ND2 ASN A 52 2.896 -6.273 6.553 1.00 0.00 N ATOM 0 H ASN A 52 2.136 -9.742 9.584 1.00 0.00 H new ATOM 0 HA ASN A 52 2.380 -9.753 6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.151 -7.810 8.343 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.801 -8.072 8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.194 -5.651 5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.033 -6.081 7.062 1.00 0.00 H new ATOM 428 N ILE A 53 5.200 -10.558 8.322 1.00 0.00 N ATOM 429 CA ILE A 53 6.476 -11.240 8.119 1.00 0.00 C ATOM 430 C ILE A 53 6.260 -12.618 7.474 1.00 0.00 C ATOM 431 O ILE A 53 6.779 -12.892 6.393 1.00 0.00 O ATOM 432 CB ILE A 53 7.255 -11.313 9.448 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.670 -9.894 9.884 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.498 -12.206 9.312 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.132 -9.838 11.344 1.00 0.00 C ATOM 0 H ILE A 53 5.033 -10.273 9.287 1.00 0.00 H new ATOM 0 HA ILE A 53 7.087 -10.667 7.421 1.00 0.00 H new ATOM 0 HB ILE A 53 6.605 -11.752 10.205 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.474 -9.540 9.239 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.828 -9.215 9.747 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.028 -12.239 10.264 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.193 -13.214 9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.156 -11.799 8.544 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.412 -8.816 11.598 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.321 -10.164 11.995 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.992 -10.494 11.479 1.00 0.00 H new ATOM 436 N LYS A 54 5.496 -13.500 8.124 1.00 0.00 N ATOM 437 CA LYS A 54 5.247 -14.852 7.634 1.00 0.00 C ATOM 438 C LYS A 54 4.620 -14.847 6.236 1.00 0.00 C ATOM 439 O LYS A 54 4.856 -15.762 5.451 1.00 0.00 O ATOM 440 CB LYS A 54 4.360 -15.633 8.614 1.00 0.00 C ATOM 441 CG LYS A 54 5.085 -15.995 9.920 1.00 0.00 C ATOM 442 CD LYS A 54 4.277 -17.075 10.660 1.00 0.00 C ATOM 443 CE LYS A 54 5.020 -17.672 11.863 1.00 0.00 C ATOM 444 NZ LYS A 54 5.096 -16.739 13.001 1.00 0.00 N ATOM 0 H LYS A 54 5.032 -13.292 9.008 1.00 0.00 H new ATOM 0 HA LYS A 54 6.214 -15.350 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.476 -15.040 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.012 -16.547 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.090 -16.358 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.194 -15.110 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.335 -16.645 11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.028 -17.875 9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.517 -18.585 12.180 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.029 -17.953 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.636 -17.178 13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.570 -15.863 12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.136 -16.517 13.332 1.00 0.00 H new ATOM 445 N LYS A 55 3.831 -13.820 5.912 1.00 0.00 N ATOM 446 CA LYS A 55 3.183 -13.662 4.620 1.00 0.00 C ATOM 447 C LYS A 55 4.091 -12.880 3.664 1.00 0.00 C ATOM 448 O LYS A 55 3.585 -12.188 2.787 1.00 0.00 O ATOM 449 CB LYS A 55 1.837 -12.959 4.842 1.00 0.00 C ATOM 450 CG LYS A 55 0.814 -12.997 3.694 1.00 0.00 C ATOM 451 CD LYS A 55 0.261 -14.388 3.352 1.00 0.00 C ATOM 452 CE LYS A 55 0.953 -15.008 2.127 1.00 0.00 C ATOM 453 NZ LYS A 55 0.308 -16.271 1.717 1.00 0.00 N ATOM 0 H LYS A 55 3.624 -13.060 6.560 1.00 0.00 H new ATOM 0 HA LYS A 55 3.001 -14.632 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.370 -13.399 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.039 -11.914 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.021 -12.346 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.279 -12.580 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.388 -15.048 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.810 -14.314 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.928 -14.301 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.002 -15.193 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.802 -16.660 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.354 -16.954 2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.687 -16.090 1.474 1.00 0.00 H new ATOM 454 N ASN A 56 5.415 -12.966 3.840 1.00 0.00 N ATOM 455 CA ASN A 56 6.394 -12.192 3.079 1.00 0.00 C ATOM 456 C ASN A 56 6.069 -12.144 1.575 1.00 0.00 C ATOM 457 O ASN A 56 6.088 -13.173 0.902 1.00 0.00 O ATOM 458 CB ASN A 56 7.823 -12.727 3.308 1.00 0.00 C ATOM 459 CG ASN A 56 8.903 -11.650 3.476 1.00 0.00 C ATOM 460 OD1 ASN A 56 9.999 -11.962 3.929 1.00 0.00 O ATOM 461 ND2 ASN A 56 8.642 -10.385 3.145 1.00 0.00 N ATOM 0 H ASN A 56 5.840 -13.587 4.528 1.00 0.00 H new ATOM 0 HA ASN A 56 6.339 -11.169 3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.820 -13.358 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.095 -13.364 2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.357 -9.668 3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.728 -10.135 2.769 1.00 0.00 H new ATOM 462 N VAL A 57 5.747 -10.955 1.062 1.00 0.00 N ATOM 463 CA VAL A 57 5.249 -10.702 -0.289 1.00 0.00 C ATOM 464 C VAL A 57 6.213 -9.777 -1.040 1.00 0.00 C ATOM 465 O VAL A 57 6.882 -8.961 -0.427 1.00 0.00 O ATOM 466 CB VAL A 57 3.833 -10.106 -0.142 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.453 -9.069 -1.203 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.806 -11.239 -0.163 1.00 0.00 C ATOM 0 H VAL A 57 5.832 -10.098 1.608 1.00 0.00 H new ATOM 0 HA VAL A 57 5.191 -11.615 -0.881 1.00 0.00 H new ATOM 0 HB VAL A 57 3.836 -9.573 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.441 -8.710 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.150 -8.232 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.497 -9.527 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.804 -10.823 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.879 -11.779 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.002 -11.923 0.663 1.00 0.00 H new ATOM 469 N LEU A 58 6.296 -9.888 -2.368 1.00 0.00 N ATOM 470 CA LEU A 58 7.222 -9.102 -3.189 1.00 0.00 C ATOM 471 C LEU A 58 6.766 -7.642 -3.348 1.00 0.00 C ATOM 472 O LEU A 58 7.599 -6.743 -3.400 1.00 0.00 O ATOM 473 CB LEU A 58 7.391 -9.839 -4.524 1.00 0.00 C ATOM 474 CG LEU A 58 8.365 -9.305 -5.584 1.00 0.00 C ATOM 475 CD1 LEU A 58 7.767 -8.208 -6.468 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.674 -8.846 -4.964 1.00 0.00 C ATOM 0 H LEU A 58 5.718 -10.531 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 58 8.192 -9.022 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.693 -10.860 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.407 -9.895 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 58 8.571 -10.151 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.511 -7.879 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.896 -8.599 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.467 -7.364 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.337 -8.475 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.477 -8.049 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.149 -9.684 -4.454 1.00 0.00 H new ATOM 477 N TRP A 59 5.451 -7.420 -3.441 1.00 0.00 N ATOM 478 CA TRP A 59 4.813 -6.145 -3.761 1.00 0.00 C ATOM 479 C TRP A 59 5.084 -5.715 -5.202 1.00 0.00 C ATOM 480 O TRP A 59 6.058 -5.021 -5.495 1.00 0.00 O ATOM 481 CB TRP A 59 5.118 -5.022 -2.762 1.00 0.00 C ATOM 482 CG TRP A 59 4.602 -5.189 -1.366 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.316 -4.936 -0.249 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.274 -5.598 -0.908 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.528 -5.165 0.860 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.288 -5.650 0.517 1.00 0.00 C ATOM 487 CE3 TRP A 59 2.057 -5.930 -1.543 1.00 0.00 C ATOM 488 CZ2 TRP A 59 2.186 -6.081 1.271 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.955 -6.385 -0.802 1.00 0.00 C ATOM 490 CH2 TRP A 59 1.024 -6.487 0.598 1.00 0.00 C ATOM 0 H TRP A 59 4.771 -8.164 -3.287 1.00 0.00 H new ATOM 0 HA TRP A 59 3.743 -6.331 -3.665 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.200 -4.901 -2.710 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.712 -4.093 -3.163 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.344 -4.606 -0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.829 -4.995 1.820 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.973 -5.832 -2.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.232 -6.100 2.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.044 -6.660 -1.313 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.185 -6.877 1.154 1.00 0.00 H new ATOM 491 N ASP A 60 4.169 -6.114 -6.086 1.00 0.00 N ATOM 492 CA ASP A 60 4.079 -5.713 -7.477 1.00 0.00 C ATOM 493 C ASP A 60 2.638 -5.256 -7.746 1.00 0.00 C ATOM 494 O ASP A 60 1.808 -5.238 -6.835 1.00 0.00 O ATOM 495 CB ASP A 60 4.452 -6.912 -8.360 1.00 0.00 C ATOM 496 CG ASP A 60 3.234 -7.780 -8.651 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.683 -8.340 -7.679 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.792 -7.756 -9.819 1.00 0.00 O ATOM 0 H ASP A 60 3.429 -6.766 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 60 4.762 -4.894 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.882 -6.558 -9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.217 -7.509 -7.864 1.00 0.00 H new ATOM 499 N GLU A 61 2.344 -4.953 -9.012 1.00 0.00 N ATOM 500 CA GLU A 61 1.006 -4.680 -9.514 1.00 0.00 C ATOM 501 C GLU A 61 -0.011 -5.728 -9.059 1.00 0.00 C ATOM 502 O GLU A 61 -1.021 -5.394 -8.440 1.00 0.00 O ATOM 503 CB GLU A 61 1.061 -4.640 -11.051 1.00 0.00 C ATOM 504 CG GLU A 61 1.646 -3.327 -11.572 1.00 0.00 C ATOM 505 CD GLU A 61 0.714 -2.148 -11.321 1.00 0.00 C ATOM 506 OE1 GLU A 61 -0.435 -2.407 -10.912 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.179 -1.007 -11.524 1.00 0.00 O ATOM 0 H GLU A 61 3.059 -4.890 -9.737 1.00 0.00 H new ATOM 0 HA GLU A 61 0.677 -3.722 -9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.663 -5.473 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.057 -4.773 -11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.605 -3.140 -11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.839 -3.415 -12.641 1.00 0.00 H new ATOM 508 N ASN A 62 0.231 -6.996 -9.393 1.00 0.00 N ATOM 509 CA ASN A 62 -0.694 -8.082 -9.104 1.00 0.00 C ATOM 510 C ASN A 62 -0.973 -8.156 -7.605 1.00 0.00 C ATOM 511 O ASN A 62 -2.118 -8.052 -7.159 1.00 0.00 O ATOM 512 CB ASN A 62 -0.113 -9.406 -9.606 1.00 0.00 C ATOM 513 CG ASN A 62 -1.006 -10.574 -9.236 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.005 -10.831 -9.899 1.00 0.00 O ATOM 515 ND2 ASN A 62 -0.661 -11.303 -8.186 1.00 0.00 N ATOM 0 H ASN A 62 1.079 -7.296 -9.874 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.636 -7.893 -9.619 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.007 -9.366 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.879 -9.555 -9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.232 -12.102 -7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.176 -11.066 -7.653 1.00 0.00 H new ATOM 516 N ASN A 63 0.094 -8.336 -6.829 1.00 0.00 N ATOM 517 CA ASN A 63 -0.005 -8.588 -5.405 1.00 0.00 C ATOM 518 C ASN A 63 -0.636 -7.387 -4.709 1.00 0.00 C ATOM 519 O ASN A 63 -1.527 -7.560 -3.874 1.00 0.00 O ATOM 520 CB ASN A 63 1.373 -8.939 -4.834 1.00 0.00 C ATOM 521 CG ASN A 63 1.855 -10.318 -5.294 1.00 0.00 C ATOM 522 OD1 ASN A 63 1.272 -10.950 -6.171 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.917 -10.827 -4.676 1.00 0.00 N ATOM 0 H ASN A 63 1.052 -8.310 -7.178 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.653 -9.446 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.095 -8.182 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.330 -8.915 -3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.258 -11.755 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.390 -10.290 -3.950 1.00 0.00 H new ATOM 524 N MET A 64 -0.208 -6.169 -5.061 1.00 0.00 N ATOM 525 CA MET A 64 -0.822 -4.982 -4.497 1.00 0.00 C ATOM 526 C MET A 64 -2.282 -4.864 -4.921 1.00 0.00 C ATOM 527 O MET A 64 -3.103 -4.489 -4.093 1.00 0.00 O ATOM 528 CB MET A 64 -0.033 -3.712 -4.821 1.00 0.00 C ATOM 529 CG MET A 64 -0.618 -2.557 -3.991 1.00 0.00 C ATOM 530 SD MET A 64 0.277 -0.990 -3.988 1.00 0.00 S ATOM 531 CE MET A 64 1.872 -1.522 -3.335 1.00 0.00 C ATOM 0 H MET A 64 0.548 -5.990 -5.722 1.00 0.00 H new ATOM 0 HA MET A 64 -0.799 -5.092 -3.413 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.023 -3.851 -4.588 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.097 -3.486 -5.885 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.629 -2.365 -4.349 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.705 -2.896 -2.959 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.507 -0.651 -3.170 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.722 -2.046 -2.391 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.352 -2.191 -4.049 1.00 0.00 H new ATOM 532 N SER A 65 -2.631 -5.158 -6.177 1.00 0.00 N ATOM 533 CA SER A 65 -4.025 -5.110 -6.600 1.00 0.00 C ATOM 534 C SER A 65 -4.871 -6.004 -5.694 1.00 0.00 C ATOM 535 O SER A 65 -5.873 -5.543 -5.143 1.00 0.00 O ATOM 536 CB SER A 65 -4.187 -5.439 -8.093 1.00 0.00 C ATOM 537 OG SER A 65 -5.557 -5.369 -8.476 1.00 0.00 O ATOM 0 H SER A 65 -1.973 -5.428 -6.908 1.00 0.00 H new ATOM 0 HA SER A 65 -4.390 -4.089 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.601 -4.741 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.798 -6.437 -8.295 1.00 0.00 H new ATOM 0 HG SER A 65 -5.641 -5.580 -9.429 1.00 0.00 H new ATOM 538 N GLU A 66 -4.462 -7.262 -5.513 1.00 0.00 N ATOM 539 CA GLU A 66 -5.198 -8.178 -4.651 1.00 0.00 C ATOM 540 C GLU A 66 -5.278 -7.618 -3.228 1.00 0.00 C ATOM 541 O GLU A 66 -6.367 -7.371 -2.704 1.00 0.00 O ATOM 542 CB GLU A 66 -4.551 -9.567 -4.687 1.00 0.00 C ATOM 543 CG GLU A 66 -5.430 -10.621 -3.994 1.00 0.00 C ATOM 544 CD GLU A 66 -6.786 -10.790 -4.668 1.00 0.00 C ATOM 545 OE1 GLU A 66 -6.811 -11.442 -5.732 1.00 0.00 O ATOM 546 OE2 GLU A 66 -7.767 -10.256 -4.107 1.00 0.00 O ATOM 0 H GLU A 66 -3.632 -7.663 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.219 -8.281 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.378 -9.861 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.577 -9.528 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.908 -11.578 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.579 -10.336 -2.953 1.00 0.00 H new ATOM 547 N TYR A 67 -4.116 -7.370 -2.613 1.00 0.00 N ATOM 548 CA TYR A 67 -4.037 -6.808 -1.268 1.00 0.00 C ATOM 549 C TYR A 67 -4.995 -5.636 -1.108 1.00 0.00 C ATOM 550 O TYR A 67 -5.822 -5.614 -0.206 1.00 0.00 O ATOM 551 CB TYR A 67 -2.609 -6.360 -0.949 1.00 0.00 C ATOM 552 CG TYR A 67 -2.462 -5.619 0.372 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.417 -6.348 1.570 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.509 -4.212 0.423 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.403 -5.688 2.809 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.557 -3.554 1.667 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.482 -4.293 2.862 1.00 0.00 C ATOM 558 OH TYR A 67 -2.748 -3.714 4.066 1.00 0.00 O ATOM 0 H TYR A 67 -3.207 -7.555 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.325 -7.591 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.961 -7.237 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.255 -5.716 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.393 -7.427 1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.508 -3.638 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.331 -6.259 3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.652 -2.479 1.704 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.480 -3.071 3.965 1.00 0.00 H new ATOM 559 N LEU A 68 -4.891 -4.655 -1.997 1.00 0.00 N ATOM 560 CA LEU A 68 -5.650 -3.430 -1.904 1.00 0.00 C ATOM 561 C LEU A 68 -7.141 -3.678 -2.148 1.00 0.00 C ATOM 562 O LEU A 68 -7.962 -2.877 -1.707 1.00 0.00 O ATOM 563 CB LEU A 68 -5.035 -2.397 -2.853 1.00 0.00 C ATOM 564 CG LEU A 68 -5.436 -0.950 -2.552 1.00 0.00 C ATOM 565 CD1 LEU A 68 -4.951 -0.502 -1.166 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.804 -0.049 -3.619 1.00 0.00 C ATOM 0 H LEU A 68 -4.271 -4.695 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.594 -3.027 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.949 -2.478 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.329 -2.639 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.524 -0.878 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.255 0.530 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.389 -1.145 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.864 -0.573 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.075 0.989 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.719 -0.152 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.167 -0.342 -4.604 1.00 0.00 H new ATOM 567 N THR A 69 -7.506 -4.781 -2.812 1.00 0.00 N ATOM 568 CA THR A 69 -8.893 -5.223 -2.890 1.00 0.00 C ATOM 569 C THR A 69 -9.353 -5.813 -1.553 1.00 0.00 C ATOM 570 O THR A 69 -10.507 -5.603 -1.180 1.00 0.00 O ATOM 571 CB THR A 69 -9.095 -6.194 -4.063 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.620 -5.581 -5.240 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.576 -6.513 -4.286 1.00 0.00 C ATOM 0 H THR A 69 -6.849 -5.385 -3.306 1.00 0.00 H new ATOM 0 HA THR A 69 -9.524 -4.356 -3.087 1.00 0.00 H new ATOM 0 HB THR A 69 -8.560 -7.115 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.640 -5.556 -5.224 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.677 -7.203 -5.124 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.989 -6.971 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.117 -5.593 -4.506 1.00 0.00 H new ATOM 574 N ASN A 70 -8.491 -6.532 -0.818 1.00 0.00 N ATOM 575 CA ASN A 70 -8.848 -7.058 0.504 1.00 0.00 C ATOM 576 C ASN A 70 -7.635 -7.264 1.433 1.00 0.00 C ATOM 577 O ASN A 70 -7.116 -8.380 1.552 1.00 0.00 O ATOM 578 CB ASN A 70 -9.690 -8.322 0.373 1.00 0.00 C ATOM 579 CG ASN A 70 -10.334 -8.722 1.699 1.00 0.00 C ATOM 580 OD1 ASN A 70 -9.933 -8.279 2.773 1.00 0.00 O ATOM 581 ND2 ASN A 70 -11.373 -9.550 1.640 1.00 0.00 N ATOM 0 H ASN A 70 -7.543 -6.761 -1.118 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.453 -6.293 0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.468 -8.163 -0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.064 -9.139 0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.853 -9.828 2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.690 -9.907 0.739 1.00 0.00 H new ATOM 582 N PRO A 71 -7.199 -6.211 2.142 1.00 0.00 N ATOM 583 CA PRO A 71 -5.930 -6.213 2.857 1.00 0.00 C ATOM 584 C PRO A 71 -5.981 -7.180 4.035 1.00 0.00 C ATOM 585 O PRO A 71 -5.108 -8.027 4.214 1.00 0.00 O ATOM 586 CB PRO A 71 -5.714 -4.763 3.306 1.00 0.00 C ATOM 587 CG PRO A 71 -7.100 -4.123 3.287 1.00 0.00 C ATOM 588 CD PRO A 71 -7.849 -4.910 2.215 1.00 0.00 C ATOM 0 HA PRO A 71 -5.102 -6.552 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.276 -4.721 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.031 -4.241 2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.590 -4.202 4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.048 -3.062 3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.903 -5.015 2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.806 -4.398 1.254 1.00 0.00 H new HETATM 589 N M3L A 72 -7.055 -7.048 4.811 1.00 0.00 N HETATM 590 CA M3L A 72 -7.370 -7.806 6.015 1.00 0.00 C HETATM 591 CB M3L A 72 -8.702 -7.293 6.575 1.00 0.00 C HETATM 592 CG M3L A 72 -8.605 -5.829 7.044 1.00 0.00 C HETATM 593 CD M3L A 72 -9.980 -5.135 7.051 1.00 0.00 C HETATM 594 CE M3L A 72 -11.014 -5.765 8.011 1.00 0.00 C HETATM 595 NZ M3L A 72 -11.113 -5.139 9.364 1.00 0.00 N HETATM 596 C M3L A 72 -7.414 -9.320 5.791 1.00 0.00 C HETATM 597 O M3L A 72 -7.391 -10.075 6.762 1.00 0.00 O HETATM 598 CM1 M3L A 72 -9.787 -4.973 10.008 1.00 0.00 C HETATM 599 CM2 M3L A 72 -11.801 -3.825 9.285 1.00 0.00 C HETATM 600 CM3 M3L A 72 -11.935 -6.027 10.225 1.00 0.00 C HETATM 0 HM33 M3L A 72 -12.928 -6.138 9.790 1.00 0.00 H new HETATM 0 HM32 M3L A 72 -11.459 -7.005 10.298 1.00 0.00 H new HETATM 0 HM31 M3L A 72 -12.022 -5.590 11.220 1.00 0.00 H new HETATM 0 HM23 M3L A 72 -11.240 -3.159 8.629 1.00 0.00 H new HETATM 0 HM22 M3L A 72 -12.806 -3.964 8.887 1.00 0.00 H new HETATM 0 HM21 M3L A 72 -11.863 -3.386 10.281 1.00 0.00 H new HETATM 0 HM13 M3L A 72 -9.313 -5.948 10.122 1.00 0.00 H new HETATM 0 HM12 M3L A 72 -9.158 -4.335 9.387 1.00 0.00 H new HETATM 0 HM11 M3L A 72 -9.914 -4.514 10.989 1.00 0.00 H new HETATM 0 HG3 M3L A 72 -8.177 -5.797 8.046 1.00 0.00 H new HETATM 0 HG2 M3L A 72 -7.926 -5.282 6.389 1.00 0.00 H new HETATM 0 HE3 M3L A 72 -11.995 -5.720 7.538 1.00 0.00 H new HETATM 0 HE2 M3L A 72 -10.769 -6.820 8.137 1.00 0.00 H new HETATM 0 HD3 M3L A 72 -9.843 -4.088 7.322 1.00 0.00 H new HETATM 0 HD2 M3L A 72 -10.386 -5.151 6.039 1.00 0.00 H new HETATM 0 HB3 M3L A 72 -9.474 -7.378 5.810 1.00 0.00 H new HETATM 0 HB2 M3L A 72 -9.010 -7.922 7.410 1.00 0.00 H new HETATM 0 HA M3L A 72 -6.565 -7.648 6.733 1.00 0.00 H new HETATM 0 H M3L A 72 -7.690 -6.318 4.487 1.00 0.00 H new ATOM 601 N LYS A 73 -7.510 -9.767 4.537 1.00 0.00 N ATOM 602 CA LYS A 73 -7.541 -11.174 4.181 1.00 0.00 C ATOM 603 C LYS A 73 -6.190 -11.561 3.599 1.00 0.00 C ATOM 604 O LYS A 73 -5.623 -12.586 3.970 1.00 0.00 O ATOM 605 CB LYS A 73 -8.680 -11.406 3.185 1.00 0.00 C ATOM 606 CG LYS A 73 -9.078 -12.881 3.111 1.00 0.00 C ATOM 607 CD LYS A 73 -10.397 -12.990 2.335 1.00 0.00 C ATOM 608 CE LYS A 73 -10.866 -14.441 2.177 1.00 0.00 C ATOM 609 NZ LYS A 73 -11.158 -15.096 3.470 1.00 0.00 N ATOM 0 H LYS A 73 -7.569 -9.144 3.731 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.725 -11.799 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.545 -10.810 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.375 -11.062 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.298 -13.460 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.193 -13.293 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.167 -12.417 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.273 -12.542 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.761 -14.463 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.099 -15.010 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.550 -16.044 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.281 -15.179 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.848 -14.526 4.000 1.00 0.00 H new ATOM 610 N TYR A 74 -5.684 -10.739 2.676 1.00 0.00 N ATOM 611 CA TYR A 74 -4.414 -10.999 2.018 1.00 0.00 C ATOM 612 C TYR A 74 -3.271 -11.089 3.037 1.00 0.00 C ATOM 613 O TYR A 74 -2.429 -11.981 2.934 1.00 0.00 O ATOM 614 CB TYR A 74 -4.167 -9.925 0.959 1.00 0.00 C ATOM 615 CG TYR A 74 -3.046 -10.246 -0.010 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.331 -10.960 -1.188 1.00 0.00 C ATOM 617 CD2 TYR A 74 -1.729 -9.822 0.243 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.320 -11.191 -2.136 1.00 0.00 C ATOM 619 CE2 TYR A 74 -0.733 -10.003 -0.731 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.026 -10.696 -1.917 1.00 0.00 C ATOM 621 OH TYR A 74 -0.034 -10.990 -2.802 1.00 0.00 O ATOM 0 H TYR A 74 -6.144 -9.882 2.370 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.453 -11.967 1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.086 -9.771 0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.939 -8.984 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.330 -11.332 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.483 -9.357 1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.539 -11.750 -3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.259 -9.609 -0.568 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.417 -11.106 -3.696 1.00 0.00 H new ATOM 622 N ILE A 75 -3.255 -10.192 4.033 1.00 0.00 N ATOM 623 CA ILE A 75 -2.360 -10.304 5.184 1.00 0.00 C ATOM 624 C ILE A 75 -3.216 -10.743 6.378 1.00 0.00 C ATOM 625 O ILE A 75 -4.019 -9.948 6.859 1.00 0.00 O ATOM 626 CB ILE A 75 -1.613 -8.983 5.465 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.822 -8.467 4.248 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.672 -9.131 6.676 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.289 -9.383 3.732 1.00 0.00 C ATOM 0 H ILE A 75 -3.862 -9.372 4.060 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.580 -11.039 4.987 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.381 -8.243 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.524 -8.286 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.381 -7.505 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.157 -8.187 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.254 -9.399 7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.061 -9.912 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.776 -8.917 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.022 -9.546 4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.138 -10.339 3.431 1.00 0.00 H new ATOM 630 N PRO A 76 -3.083 -11.984 6.877 1.00 0.00 N ATOM 631 CA PRO A 76 -3.936 -12.500 7.940 1.00 0.00 C ATOM 632 C PRO A 76 -3.470 -11.969 9.302 1.00 0.00 C ATOM 633 O PRO A 76 -3.056 -12.735 10.170 1.00 0.00 O ATOM 634 CB PRO A 76 -3.822 -14.023 7.818 1.00 0.00 C ATOM 635 CG PRO A 76 -2.385 -14.215 7.333 1.00 0.00 C ATOM 636 CD PRO A 76 -2.180 -13.020 6.400 1.00 0.00 C ATOM 0 HA PRO A 76 -4.975 -12.183 7.855 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.997 -14.520 8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.546 -14.428 7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.675 -14.209 8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.258 -15.163 6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.145 -12.678 6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.403 -13.288 5.367 1.00 0.00 H new ATOM 637 N GLY A 77 -3.527 -10.649 9.487 1.00 0.00 N ATOM 638 CA GLY A 77 -3.050 -9.972 10.683 1.00 0.00 C ATOM 639 C GLY A 77 -2.467 -8.620 10.295 1.00 0.00 C ATOM 640 O GLY A 77 -1.248 -8.441 10.291 1.00 0.00 O ATOM 0 H GLY A 77 -3.915 -10.012 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.868 -9.839 11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.293 -10.578 11.181 1.00 0.00 H new ATOM 641 N THR A 78 -3.355 -7.681 9.955 1.00 0.00 N ATOM 642 CA THR A 78 -3.017 -6.311 9.616 1.00 0.00 C ATOM 643 C THR A 78 -3.885 -5.368 10.445 1.00 0.00 C ATOM 644 O THR A 78 -5.080 -5.604 10.625 1.00 0.00 O ATOM 645 CB THR A 78 -3.171 -6.055 8.104 1.00 0.00 C ATOM 646 OG1 THR A 78 -3.212 -4.673 7.831 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.461 -6.618 7.521 1.00 0.00 C ATOM 0 H THR A 78 -4.357 -7.867 9.909 1.00 0.00 H new ATOM 0 HA THR A 78 -1.970 -6.125 9.853 1.00 0.00 H new ATOM 0 HB THR A 78 -2.310 -6.549 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.147 -4.529 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.503 -6.401 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.489 -7.697 7.674 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.316 -6.159 8.018 1.00 0.00 H new ATOM 648 N LYS A 79 -3.274 -4.285 10.919 1.00 0.00 N ATOM 649 CA LYS A 79 -3.928 -3.153 11.551 1.00 0.00 C ATOM 650 C LYS A 79 -4.876 -2.422 10.580 1.00 0.00 C ATOM 651 O LYS A 79 -5.723 -1.641 11.012 1.00 0.00 O ATOM 652 CB LYS A 79 -2.794 -2.235 12.029 1.00 0.00 C ATOM 653 CG LYS A 79 -3.256 -1.012 12.824 1.00 0.00 C ATOM 654 CD LYS A 79 -2.054 -0.080 13.045 1.00 0.00 C ATOM 655 CE LYS A 79 -2.152 0.799 14.292 1.00 0.00 C ATOM 656 NZ LYS A 79 -3.424 1.544 14.378 1.00 0.00 N ATOM 0 H LYS A 79 -2.262 -4.172 10.868 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.559 -3.475 12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.110 -2.816 12.647 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.229 -1.895 11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.045 -0.488 12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.675 -1.321 13.782 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.150 -0.685 13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.943 0.562 12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.043 0.174 15.179 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.323 1.506 14.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.397 2.184 15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.561 2.099 13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.212 0.874 14.488 1.00 0.00 H new ATOM 657 N ALA A 80 -4.696 -2.612 9.271 1.00 0.00 N ATOM 658 CA ALA A 80 -5.337 -1.831 8.220 1.00 0.00 C ATOM 659 C ALA A 80 -6.868 -1.912 8.213 1.00 0.00 C ATOM 660 O ALA A 80 -7.473 -2.632 7.417 1.00 0.00 O ATOM 661 CB ALA A 80 -4.779 -2.239 6.858 1.00 0.00 C ATOM 0 H ALA A 80 -4.080 -3.338 8.906 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.101 -0.788 8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.262 -1.652 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.704 -2.058 6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.972 -3.298 6.688 1.00 0.00 H new ATOM 662 N ALA A 81 -7.515 -1.090 9.040 1.00 0.00 N ATOM 663 CA ALA A 81 -8.941 -0.808 8.950 1.00 0.00 C ATOM 664 C ALA A 81 -9.247 0.054 7.714 1.00 0.00 C ATOM 665 O ALA A 81 -9.714 1.182 7.848 1.00 0.00 O ATOM 666 CB ALA A 81 -9.403 -0.136 10.249 1.00 0.00 C ATOM 0 H ALA A 81 -7.052 -0.595 9.802 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.495 -1.739 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.470 0.078 10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.214 -0.802 11.091 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.854 0.795 10.392 1.00 0.00 H new ATOM 667 N PHE A 82 -8.984 -0.478 6.514 1.00 0.00 N ATOM 668 CA PHE A 82 -9.220 0.190 5.237 1.00 0.00 C ATOM 669 C PHE A 82 -10.244 -0.600 4.413 1.00 0.00 C ATOM 670 O PHE A 82 -10.163 -1.824 4.305 1.00 0.00 O ATOM 671 CB PHE A 82 -7.893 0.363 4.479 1.00 0.00 C ATOM 672 CG PHE A 82 -8.053 0.778 3.025 1.00 0.00 C ATOM 673 CD1 PHE A 82 -8.811 1.917 2.688 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.619 -0.088 2.004 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.241 2.109 1.362 1.00 0.00 C ATOM 676 CE2 PHE A 82 -8.041 0.107 0.680 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.885 1.181 0.365 1.00 0.00 C ATOM 0 H PHE A 82 -8.590 -1.413 6.406 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.632 1.183 5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.289 1.110 4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.341 -0.576 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.062 2.643 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.957 -0.908 2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.844 2.968 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.716 -0.570 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.261 1.296 -0.641 1.00 0.00 H new ATOM 678 N GLY A 83 -11.217 0.113 3.837 1.00 0.00 N ATOM 679 CA GLY A 83 -12.240 -0.449 2.971 1.00 0.00 C ATOM 680 C GLY A 83 -11.673 -0.719 1.579 1.00 0.00 C ATOM 681 O GLY A 83 -11.768 0.138 0.703 1.00 0.00 O ATOM 0 H GLY A 83 -11.311 1.120 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.620 -1.376 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.083 0.239 2.900 1.00 0.00 H new ATOM 682 N GLY A 84 -11.103 -1.916 1.407 1.00 0.00 N ATOM 683 CA GLY A 84 -10.581 -2.482 0.165 1.00 0.00 C ATOM 684 C GLY A 84 -11.158 -1.884 -1.129 1.00 0.00 C ATOM 685 O GLY A 84 -12.377 -1.833 -1.307 1.00 0.00 O ATOM 0 H GLY A 84 -10.987 -2.559 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.499 -2.352 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.773 -3.555 0.166 1.00 0.00 H new ATOM 686 N LEU A 85 -10.288 -1.464 -2.060 1.00 0.00 N ATOM 687 CA LEU A 85 -10.665 -0.867 -3.340 1.00 0.00 C ATOM 688 C LEU A 85 -11.310 -1.898 -4.284 1.00 0.00 C ATOM 689 O LEU A 85 -10.720 -2.349 -5.273 1.00 0.00 O ATOM 690 CB LEU A 85 -9.467 -0.162 -4.002 1.00 0.00 C ATOM 691 CG LEU A 85 -9.057 1.226 -3.479 1.00 0.00 C ATOM 692 CD1 LEU A 85 -8.142 1.922 -4.497 1.00 0.00 C ATOM 693 CD2 LEU A 85 -10.253 2.149 -3.215 1.00 0.00 C ATOM 0 H LEU A 85 -9.278 -1.534 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.420 -0.108 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.603 -0.820 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.684 -0.066 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.544 1.052 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.857 2.904 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.247 1.320 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.672 2.038 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.896 3.111 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.809 2.297 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.905 1.695 -2.468 1.00 0.00 H new ATOM 694 N LYS A 86 -12.579 -2.194 -3.994 1.00 0.00 N ATOM 695 CA LYS A 86 -13.502 -2.941 -4.835 1.00 0.00 C ATOM 696 C LYS A 86 -13.842 -2.185 -6.122 1.00 0.00 C ATOM 697 O LYS A 86 -14.101 -2.819 -7.139 1.00 0.00 O ATOM 698 CB LYS A 86 -14.791 -3.205 -4.042 1.00 0.00 C ATOM 699 CG LYS A 86 -14.629 -4.359 -3.040 1.00 0.00 C ATOM 700 CD LYS A 86 -14.754 -5.747 -3.697 1.00 0.00 C ATOM 701 CE LYS A 86 -16.188 -6.308 -3.702 1.00 0.00 C ATOM 702 NZ LYS A 86 -17.142 -5.472 -4.457 1.00 0.00 N ATOM 0 H LYS A 86 -13.008 -1.900 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.023 -3.878 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.079 -2.300 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.600 -3.438 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.656 -4.279 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.383 -4.263 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.395 -5.686 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.103 -6.446 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.177 -7.310 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.536 -6.405 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.057 -5.962 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.270 -4.563 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.772 -5.301 -5.414 1.00 0.00 H new ATOM 703 N LYS A 87 -13.893 -0.848 -6.070 1.00 0.00 N ATOM 704 CA LYS A 87 -14.312 -0.013 -7.191 1.00 0.00 C ATOM 705 C LYS A 87 -13.482 -0.294 -8.448 1.00 0.00 C ATOM 706 O LYS A 87 -13.987 -0.184 -9.561 1.00 0.00 O ATOM 707 CB LYS A 87 -14.241 1.465 -6.789 1.00 0.00 C ATOM 708 CG LYS A 87 -15.270 1.790 -5.694 1.00 0.00 C ATOM 709 CD LYS A 87 -15.207 3.231 -5.162 1.00 0.00 C ATOM 710 CE LYS A 87 -15.825 4.293 -6.089 1.00 0.00 C ATOM 711 NZ LYS A 87 -14.832 4.936 -6.970 1.00 0.00 N ATOM 0 H LYS A 87 -13.641 -0.315 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.345 -0.259 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.238 1.700 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.424 2.092 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.270 1.606 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.123 1.103 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.717 3.270 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.164 3.491 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.598 3.828 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.314 5.056 -5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.308 5.629 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.116 5.420 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.371 4.213 -7.559 1.00 0.00 H new ATOM 712 N GLU A 88 -12.198 -0.618 -8.262 1.00 0.00 N ATOM 713 CA GLU A 88 -11.271 -1.171 -9.242 1.00 0.00 C ATOM 714 C GLU A 88 -10.743 -0.101 -10.191 1.00 0.00 C ATOM 715 O GLU A 88 -9.552 -0.060 -10.484 1.00 0.00 O ATOM 716 CB GLU A 88 -11.861 -2.396 -9.958 1.00 0.00 C ATOM 717 CG GLU A 88 -10.804 -3.092 -10.828 1.00 0.00 C ATOM 718 CD GLU A 88 -11.031 -4.593 -10.888 1.00 0.00 C ATOM 719 OE1 GLU A 88 -11.925 -5.011 -11.649 1.00 0.00 O ATOM 720 OE2 GLU A 88 -10.329 -5.284 -10.113 1.00 0.00 O ATOM 0 H GLU A 88 -11.752 -0.489 -7.354 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.398 -1.539 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.250 -3.099 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.702 -2.088 -10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.832 -2.678 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.811 -2.889 -10.427 1.00 0.00 H new ATOM 721 N LYS A 89 -11.607 0.814 -10.615 1.00 0.00 N ATOM 722 CA LYS A 89 -11.216 1.902 -11.499 1.00 0.00 C ATOM 723 C LYS A 89 -10.255 2.826 -10.754 1.00 0.00 C ATOM 724 O LYS A 89 -9.133 3.067 -11.200 1.00 0.00 O ATOM 725 CB LYS A 89 -12.453 2.624 -12.029 1.00 0.00 C ATOM 726 CG LYS A 89 -13.301 1.728 -12.954 1.00 0.00 C ATOM 727 CD LYS A 89 -12.681 1.421 -14.333 1.00 0.00 C ATOM 728 CE LYS A 89 -13.140 2.373 -15.446 1.00 0.00 C ATOM 729 NZ LYS A 89 -12.756 3.773 -15.191 1.00 0.00 N ATOM 0 H LYS A 89 -12.594 0.822 -10.356 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.691 1.516 -12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.064 2.958 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.145 3.516 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.491 0.784 -12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.268 2.207 -13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.595 1.470 -14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.934 0.399 -14.615 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.711 2.050 -16.395 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.223 2.310 -15.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.015 4.359 -16.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.253 4.121 -14.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.729 3.829 -15.036 1.00 0.00 H new ATOM 730 N ASP A 90 -10.687 3.280 -9.576 1.00 0.00 N ATOM 731 CA ASP A 90 -9.850 3.910 -8.573 1.00 0.00 C ATOM 732 C ASP A 90 -8.532 3.170 -8.464 1.00 0.00 C ATOM 733 O ASP A 90 -7.466 3.761 -8.575 1.00 0.00 O ATOM 734 CB ASP A 90 -10.542 3.837 -7.198 1.00 0.00 C ATOM 735 CG ASP A 90 -11.960 4.374 -7.125 1.00 0.00 C ATOM 736 OD1 ASP A 90 -12.740 4.041 -8.047 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.333 5.013 -6.105 1.00 0.00 O ATOM 0 H ASP A 90 -11.664 3.213 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.683 4.947 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.555 2.795 -6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.932 4.385 -6.479 1.00 0.00 H new ATOM 738 N ARG A 91 -8.636 1.867 -8.222 1.00 0.00 N ATOM 739 CA ARG A 91 -7.498 1.000 -8.010 1.00 0.00 C ATOM 740 C ARG A 91 -6.532 1.064 -9.194 1.00 0.00 C ATOM 741 O ARG A 91 -5.333 1.175 -8.982 1.00 0.00 O ATOM 742 CB ARG A 91 -7.970 -0.426 -7.720 1.00 0.00 C ATOM 743 CG ARG A 91 -7.000 -1.128 -6.771 1.00 0.00 C ATOM 744 CD ARG A 91 -6.993 -2.646 -6.959 1.00 0.00 C ATOM 745 NE ARG A 91 -8.349 -3.209 -6.881 1.00 0.00 N ATOM 746 CZ ARG A 91 -8.892 -4.050 -7.772 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.185 -4.585 -8.773 1.00 0.00 N ATOM 748 NH2 ARG A 91 -10.187 -4.344 -7.687 1.00 0.00 N ATOM 0 H ARG A 91 -9.532 1.382 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.945 1.347 -7.137 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.967 -0.403 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.046 -0.987 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.994 -0.740 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.270 -0.894 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.552 -2.891 -7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.364 -3.104 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.924 -2.937 -6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.196 -4.357 -8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.634 -5.221 -9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.756 -3.930 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.610 -4.983 -8.360 1.00 0.00 H new ATOM 749 N ASN A 92 -7.026 1.023 -10.434 1.00 0.00 N ATOM 750 CA ASN A 92 -6.170 1.156 -11.606 1.00 0.00 C ATOM 751 C ASN A 92 -5.394 2.469 -11.545 1.00 0.00 C ATOM 752 O ASN A 92 -4.163 2.445 -11.628 1.00 0.00 O ATOM 753 CB ASN A 92 -6.961 1.076 -12.921 1.00 0.00 C ATOM 754 CG ASN A 92 -7.479 -0.322 -13.243 1.00 0.00 C ATOM 755 OD1 ASN A 92 -8.680 -0.524 -13.392 1.00 0.00 O ATOM 756 ND2 ASN A 92 -6.581 -1.292 -13.403 1.00 0.00 N ATOM 0 H ASN A 92 -8.016 0.899 -10.648 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.475 0.317 -11.592 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.805 1.763 -12.869 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.324 1.415 -13.738 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.885 -2.232 -13.656 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.589 -1.095 -13.273 1.00 0.00 H new ATOM 757 N ASP A 93 -6.086 3.612 -11.412 1.00 0.00 N ATOM 758 CA ASP A 93 -5.371 4.887 -11.479 1.00 0.00 C ATOM 759 C ASP A 93 -4.407 4.982 -10.291 1.00 0.00 C ATOM 760 O ASP A 93 -3.231 5.308 -10.439 1.00 0.00 O ATOM 761 CB ASP A 93 -6.341 6.078 -11.539 1.00 0.00 C ATOM 762 CG ASP A 93 -6.706 6.547 -12.952 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.828 6.494 -13.844 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.860 7.006 -13.112 1.00 0.00 O ATOM 0 H ASP A 93 -7.093 3.678 -11.264 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.792 4.928 -12.402 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.257 5.807 -11.014 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.899 6.915 -10.998 1.00 0.00 H new ATOM 765 N LEU A 94 -4.914 4.659 -9.104 1.00 0.00 N ATOM 766 CA LEU A 94 -4.174 4.668 -7.856 1.00 0.00 C ATOM 767 C LEU A 94 -2.910 3.811 -7.949 1.00 0.00 C ATOM 768 O LEU A 94 -1.815 4.335 -7.770 1.00 0.00 O ATOM 769 CB LEU A 94 -5.100 4.253 -6.705 1.00 0.00 C ATOM 770 CG LEU A 94 -4.390 4.202 -5.347 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.548 5.452 -5.067 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.385 4.079 -4.210 1.00 0.00 C ATOM 0 H LEU A 94 -5.886 4.374 -8.986 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.826 5.680 -7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.933 4.954 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.523 3.273 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.741 3.328 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.070 5.358 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.784 5.556 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.191 6.332 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.850 4.045 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.055 4.938 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.966 3.165 -4.332 1.00 0.00 H new ATOM 773 N ILE A 95 -3.025 2.510 -8.222 1.00 0.00 N ATOM 774 CA ILE A 95 -1.866 1.639 -8.331 1.00 0.00 C ATOM 775 C ILE A 95 -0.897 2.143 -9.404 1.00 0.00 C ATOM 776 O ILE A 95 0.302 2.175 -9.146 1.00 0.00 O ATOM 777 CB ILE A 95 -2.319 0.184 -8.466 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.126 -0.180 -7.201 1.00 0.00 C ATOM 779 CG2 ILE A 95 -1.111 -0.752 -8.530 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.639 -1.607 -7.274 1.00 0.00 C ATOM 0 H ILE A 95 -3.917 2.039 -8.372 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.276 1.668 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.910 0.075 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.498 -0.060 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.965 0.507 -7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.454 -1.782 -8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.495 -0.493 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.522 -0.649 -7.619 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.204 -1.837 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.286 -1.717 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.796 -2.293 -7.360 1.00 0.00 H new ATOM 781 N THR A 96 -1.385 2.626 -10.554 1.00 0.00 N ATOM 782 CA THR A 96 -0.498 3.263 -11.529 1.00 0.00 C ATOM 783 C THR A 96 0.299 4.409 -10.891 1.00 0.00 C ATOM 784 O THR A 96 1.528 4.447 -10.988 1.00 0.00 O ATOM 785 CB THR A 96 -1.290 3.773 -12.742 1.00 0.00 C ATOM 786 OG1 THR A 96 -2.030 2.721 -13.321 1.00 0.00 O ATOM 787 CG2 THR A 96 -0.340 4.341 -13.800 1.00 0.00 C ATOM 0 H THR A 96 -2.367 2.589 -10.826 1.00 0.00 H new ATOM 0 HA THR A 96 0.209 2.507 -11.872 1.00 0.00 H new ATOM 0 HB THR A 96 -1.966 4.555 -12.397 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.791 2.500 -12.744 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.917 4.698 -14.653 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.227 5.168 -13.373 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.347 3.561 -14.128 1.00 0.00 H new ATOM 788 N TYR A 97 -0.393 5.356 -10.252 1.00 0.00 N ATOM 789 CA TYR A 97 0.259 6.473 -9.586 1.00 0.00 C ATOM 790 C TYR A 97 1.298 5.953 -8.599 1.00 0.00 C ATOM 791 O TYR A 97 2.449 6.374 -8.642 1.00 0.00 O ATOM 792 CB TYR A 97 -0.771 7.363 -8.880 1.00 0.00 C ATOM 793 CG TYR A 97 -0.192 8.218 -7.767 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.609 9.334 -8.072 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.308 7.793 -6.431 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.200 10.081 -7.037 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.345 8.497 -5.406 1.00 0.00 C ATOM 798 CZ TYR A 97 1.063 9.664 -5.704 1.00 0.00 C ATOM 799 OH TYR A 97 1.589 10.416 -4.698 1.00 0.00 O ATOM 0 H TYR A 97 -1.411 5.366 -10.185 1.00 0.00 H new ATOM 0 HA TYR A 97 0.764 7.082 -10.335 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.239 8.014 -9.618 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.558 6.732 -8.467 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.770 9.617 -9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.901 6.922 -6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.759 10.976 -7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.294 8.139 -4.388 1.00 0.00 H new ATOM 0 HH TYR A 97 1.404 9.986 -3.837 1.00 0.00 H new ATOM 800 N LEU A 98 0.887 5.053 -7.705 1.00 0.00 N ATOM 801 CA LEU A 98 1.736 4.537 -6.646 1.00 0.00 C ATOM 802 C LEU A 98 2.984 3.904 -7.245 1.00 0.00 C ATOM 803 O LEU A 98 4.094 4.196 -6.817 1.00 0.00 O ATOM 804 CB LEU A 98 0.970 3.522 -5.782 1.00 0.00 C ATOM 805 CG LEU A 98 0.962 3.888 -4.285 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.471 4.042 -3.786 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.647 2.803 -3.460 1.00 0.00 C ATOM 0 H LEU A 98 -0.055 4.662 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 98 2.038 5.364 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.058 3.453 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.418 2.536 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 98 1.501 4.829 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.462 4.301 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.969 4.832 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.008 3.104 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.630 3.082 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.121 1.858 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.680 2.693 -3.790 1.00 0.00 H new ATOM 808 N LYS A 99 2.804 3.058 -8.259 1.00 0.00 N ATOM 809 CA LYS A 99 3.894 2.437 -8.979 1.00 0.00 C ATOM 810 C LYS A 99 4.905 3.470 -9.458 1.00 0.00 C ATOM 811 O LYS A 99 6.109 3.238 -9.380 1.00 0.00 O ATOM 812 CB LYS A 99 3.337 1.586 -10.124 1.00 0.00 C ATOM 813 CG LYS A 99 4.499 0.921 -10.871 1.00 0.00 C ATOM 814 CD LYS A 99 3.983 -0.340 -11.569 1.00 0.00 C ATOM 815 CE LYS A 99 5.073 -1.202 -12.209 1.00 0.00 C ATOM 816 NZ LYS A 99 5.671 -0.546 -13.385 1.00 0.00 N ATOM 0 H LYS A 99 1.882 2.787 -8.601 1.00 0.00 H new ATOM 0 HA LYS A 99 4.437 1.776 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.659 0.827 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.759 2.208 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.921 1.611 -11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.298 0.666 -10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.439 -0.945 -10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.270 -0.047 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.851 -1.409 -11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.650 -2.162 -12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.405 -1.162 -13.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.934 -0.371 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.097 0.358 -13.099 1.00 0.00 H new ATOM 817 N LYS A 100 4.420 4.605 -9.959 1.00 0.00 N ATOM 818 CA LYS A 100 5.280 5.670 -10.432 1.00 0.00 C ATOM 819 C LYS A 100 5.976 6.336 -9.238 1.00 0.00 C ATOM 820 O LYS A 100 7.201 6.372 -9.168 1.00 0.00 O ATOM 821 CB LYS A 100 4.428 6.629 -11.283 1.00 0.00 C ATOM 822 CG LYS A 100 5.137 7.072 -12.565 1.00 0.00 C ATOM 823 CD LYS A 100 6.087 8.248 -12.287 1.00 0.00 C ATOM 824 CE LYS A 100 6.938 8.628 -13.509 1.00 0.00 C ATOM 825 NZ LYS A 100 6.130 8.860 -14.725 1.00 0.00 N ATOM 0 H LYS A 100 3.423 4.804 -10.045 1.00 0.00 H new ATOM 0 HA LYS A 100 6.082 5.298 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.489 6.140 -11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.176 7.508 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.699 6.236 -12.982 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.399 7.364 -13.312 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.504 9.114 -11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.745 7.989 -11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.509 9.528 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.659 7.834 -13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.741 9.227 -15.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.698 7.965 -15.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.382 9.552 -14.518 1.00 0.00 H new ATOM 826 N ALA A 101 5.179 6.830 -8.288 1.00 0.00 N ATOM 827 CA ALA A 101 5.615 7.536 -7.086 1.00 0.00 C ATOM 828 C ALA A 101 6.452 6.665 -6.141 1.00 0.00 C ATOM 829 O ALA A 101 7.047 7.176 -5.195 1.00 0.00 O ATOM 830 CB ALA A 101 4.375 8.072 -6.367 1.00 0.00 C ATOM 0 H ALA A 101 4.164 6.743 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 101 6.270 8.352 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.679 8.603 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.838 8.754 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.724 7.241 -6.096 1.00 0.00 H new ATOM 831 N SER A 102 6.478 5.350 -6.374 1.00 0.00 N ATOM 832 CA SER A 102 7.335 4.404 -5.682 1.00 0.00 C ATOM 833 C SER A 102 8.785 4.885 -5.746 1.00 0.00 C ATOM 834 O SER A 102 9.504 4.752 -4.758 1.00 0.00 O ATOM 835 CB SER A 102 7.170 3.014 -6.319 1.00 0.00 C ATOM 836 OG SER A 102 7.688 1.974 -5.503 1.00 0.00 O ATOM 0 H SER A 102 5.881 4.908 -7.073 1.00 0.00 H new ATOM 0 HA SER A 102 7.053 4.334 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.113 2.829 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.675 2.999 -7.285 1.00 0.00 H new ATOM 0 HG SER A 102 8.395 1.500 -5.988 1.00 0.00 H new ATOM 837 N GLU A 103 9.201 5.411 -6.904 1.00 0.00 N ATOM 838 CA GLU A 103 10.537 5.933 -7.119 1.00 0.00 C ATOM 839 C GLU A 103 10.493 7.452 -6.910 1.00 0.00 C ATOM 840 O GLU A 103 9.642 8.086 -7.576 1.00 0.00 O ATOM 841 CB GLU A 103 11.017 5.540 -8.523 1.00 0.00 C ATOM 842 CG GLU A 103 12.520 5.219 -8.584 1.00 0.00 C ATOM 843 CD GLU A 103 12.849 3.820 -8.052 1.00 0.00 C ATOM 844 OE1 GLU A 103 12.357 2.854 -8.675 1.00 0.00 O ATOM 845 OE2 GLU A 103 13.598 3.716 -7.052 1.00 0.00 O ATOM 846 OXT GLU A 103 11.288 7.958 -6.087 1.00 0.00 O ATOM 0 H GLU A 103 8.601 5.483 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 103 11.252 5.513 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.453 4.671 -8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.798 6.353 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.863 5.301 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.070 5.962 -8.005 1.00 0.00 H new TER 847 GLU A 103 HETATM 848 C CYN A 105 -3.880 -0.519 3.762 1.00 0.00 C HETATM 849 N CYN A 105 -4.752 -1.400 3.534 1.00 0.00 N HETATM 850 FE HEM A 104 -2.631 0.830 3.986 1.00 0.00 FE HETATM 851 CHA HEM A 104 -0.354 -1.561 5.207 1.00 0.00 C HETATM 852 CHB HEM A 104 -1.402 0.346 0.791 1.00 0.00 C HETATM 853 CHC HEM A 104 -5.067 2.970 2.807 1.00 0.00 C HETATM 854 CHD HEM A 104 -3.587 1.562 7.233 1.00 0.00 C HETATM 855 NA HEM A 104 -1.160 -0.429 3.139 1.00 0.00 N HETATM 856 C1A HEM A 104 -0.368 -1.321 3.827 1.00 0.00 C HETATM 857 C2A HEM A 104 0.514 -1.953 2.865 1.00 0.00 C HETATM 858 C3A HEM A 104 0.220 -1.406 1.634 1.00 0.00 C HETATM 859 C4A HEM A 104 -0.838 -0.433 1.815 1.00 0.00 C HETATM 860 CMA HEM A 104 0.865 -1.782 0.323 1.00 0.00 C HETATM 861 CAA HEM A 104 1.532 -3.055 3.136 1.00 0.00 C HETATM 862 CBA HEM A 104 2.990 -2.601 3.369 1.00 0.00 C HETATM 863 CGA HEM A 104 3.870 -3.713 3.947 1.00 0.00 C HETATM 864 O1A HEM A 104 3.515 -4.158 5.056 1.00 0.00 O HETATM 865 O2A HEM A 104 4.877 -4.103 3.311 1.00 0.00 O HETATM 866 NB HEM A 104 -3.136 1.539 2.139 1.00 0.00 N HETATM 867 C1B HEM A 104 -2.467 1.248 0.983 1.00 0.00 C HETATM 868 C2B HEM A 104 -3.057 2.057 -0.060 1.00 0.00 C HETATM 869 C3B HEM A 104 -4.082 2.790 0.508 1.00 0.00 C HETATM 870 C4B HEM A 104 -4.150 2.426 1.901 1.00 0.00 C HETATM 871 CMB HEM A 104 -2.580 2.120 -1.493 1.00 0.00 C HETATM 872 CAB HEM A 104 -4.933 3.855 -0.158 1.00 0.00 C HETATM 873 CBB HEM A 104 -6.011 3.279 -1.070 1.00 0.00 C HETATM 874 NC HEM A 104 -4.121 2.017 4.869 1.00 0.00 N HETATM 875 C1C HEM A 104 -4.992 2.799 4.183 1.00 0.00 C HETATM 876 C2C HEM A 104 -5.815 3.498 5.146 1.00 0.00 C HETATM 877 C3C HEM A 104 -5.345 3.163 6.397 1.00 0.00 C HETATM 878 C4C HEM A 104 -4.301 2.176 6.207 1.00 0.00 C HETATM 879 CMC HEM A 104 -6.911 4.501 4.855 1.00 0.00 C HETATM 880 CAC HEM A 104 -5.721 3.832 7.710 1.00 0.00 C HETATM 881 CBC HEM A 104 -7.209 3.760 8.059 1.00 0.00 C HETATM 882 ND HEM A 104 -2.095 0.115 5.864 1.00 0.00 N HETATM 883 C1D HEM A 104 -2.597 0.604 7.034 1.00 0.00 C HETATM 884 C2D HEM A 104 -1.897 -0.037 8.115 1.00 0.00 C HETATM 885 C3D HEM A 104 -1.014 -0.938 7.561 1.00 0.00 C HETATM 886 C4D HEM A 104 -1.136 -0.836 6.122 1.00 0.00 C HETATM 887 CMD HEM A 104 -2.085 0.290 9.577 1.00 0.00 C HETATM 888 CAD HEM A 104 -0.115 -1.891 8.316 1.00 0.00 C HETATM 889 CBD HEM A 104 -0.812 -3.228 8.492 1.00 0.00 C HETATM 890 CGD HEM A 104 -0.080 -4.155 9.441 1.00 0.00 C HETATM 891 O1D HEM A 104 0.870 -4.817 8.970 1.00 0.00 O HETATM 892 O2D HEM A 104 -0.521 -4.200 10.611 1.00 0.00 O HETATM 0 HMA1 HEM A 104 1.898 -2.081 0.498 1.00 0.00 H new HETATM 0 HMA2 HEM A 104 0.845 -0.926 -0.351 1.00 0.00 H new HETATM 0 HMA3 HEM A 104 0.319 -2.611 -0.127 1.00 0.00 H new HETATM 0 HMB1 HEM A 104 -3.425 2.332 -2.149 1.00 0.00 H new HETATM 0 HMB2 HEM A 104 -2.136 1.164 -1.771 1.00 0.00 H new HETATM 0 HMB3 HEM A 104 -1.835 2.909 -1.594 1.00 0.00 H new HETATM 0 HMC1 HEM A 104 -6.683 5.030 3.930 1.00 0.00 H new HETATM 0 HMC2 HEM A 104 -6.977 5.216 5.675 1.00 0.00 H new HETATM 0 HMC3 HEM A 104 -7.863 3.980 4.750 1.00 0.00 H new HETATM 0 HMD1 HEM A 104 -2.363 1.339 9.682 1.00 0.00 H new HETATM 0 HMD2 HEM A 104 -1.154 0.106 10.114 1.00 0.00 H new HETATM 0 HMD3 HEM A 104 -2.874 -0.338 9.992 1.00 0.00 H new HETATM 0 HBB1 HEM A 104 -6.686 3.947 -1.605 1.00 0.00 H new HETATM 0 HBB2 HEM A 104 -6.106 2.199 -1.187 1.00 0.00 H new HETATM 0 HBC1 HEM A 104 -7.575 4.211 8.981 1.00 0.00 H new HETATM 0 HBC2 HEM A 104 -7.903 3.257 7.386 1.00 0.00 H new HETATM 0 HBA1 HEM A 104 2.997 -1.748 4.048 1.00 0.00 H new HETATM 0 HBA2 HEM A 104 3.415 -2.260 2.425 1.00 0.00 H new HETATM 0 HAA1 HEM A 104 1.520 -3.746 2.293 1.00 0.00 H new HETATM 0 HAA2 HEM A 104 1.204 -3.615 4.012 1.00 0.00 H new HETATM 0 HBD1 HEM A 104 -0.908 -3.713 7.520 1.00 0.00 H new HETATM 0 HBD2 HEM A 104 -1.822 -3.059 8.865 1.00 0.00 H new HETATM 0 HAD1 HEM A 104 0.138 -1.472 9.290 1.00 0.00 H new HETATM 0 HAD2 HEM A 104 0.821 -2.027 7.775 1.00 0.00 H new HETATM 0 HHA HEM A 104 0.289 -2.341 5.586 1.00 0.00 H new HETATM 0 HHB HEM A 104 -0.994 0.247 -0.204 1.00 0.00 H new HETATM 0 HHC HEM A 104 -5.882 3.558 2.412 1.00 0.00 H new HETATM 0 HHD HEM A 104 -3.816 1.848 8.249 1.00 0.00 H new HETATM 0 HAB HEM A 104 -4.788 4.924 -0.001 1.00 0.00 H new HETATM 0 HAC HEM A 104 -4.989 4.323 8.351 1.00 0.00 H new