USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 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 63 ASN : amide:sc= -0.574 K(o=-0.57,f=-2.3!) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 40 SER OG : rot 97:sc= 1.55 USER MOD Set 2.2: A 52 ASN : amide:sc= 2.28 K(o=3.8,f=-6.1!) USER MOD Set 3.1: A 39 GLN : amide:sc= -0.529 K(o=-0.031,f=-5.8!) USER MOD Set 3.2: A 56 ASN : amide:sc= 0.498 K(o=-0.031,f=-5.8) USER MOD Set 4.1: A 19 THR OG1 : rot -119:sc= 1.36 USER MOD Set 4.2: A 31 ASN : amide:sc= 2.48 K(o=3.8,f=-4.9!) USER MOD Set 5.1: A 11 LYS NZ :NH3+ 131:sc= 1.13 (180deg=-0.000472) USER MOD Set 5.2: A 97 TYR OH : rot 180:sc= 1.07 USER MOD Set 6.1: A -2 LYS NZ :NH3+ -170:sc= 1 (180deg=0.888) USER MOD Set 6.2: A 92 ASN : amide:sc= 1.07 K(o=2.1,f=0.72) USER MOD Single : A 2 SER OG : rot 180:sc= -0.223 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= 0.00843 USER MOD Single : A -5 THR N :NH3+ -177:sc= 0 (180deg=-0.0259) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -76:sc= 1.15 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.715 X(o=-0.72,f=-0.23) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.12) USER MOD Single : A 33 HIS : no HE2:sc= -1.01 K(o=-1,f=-5!) USER MOD Single : A 42 GLN : amide:sc= 0.634 K(o=0.63,f=-6.8!) USER MOD Single : A 46 TYR OH : rot 17:sc= 1.25 USER MOD Single : A 47 SER OG : rot 55:sc= 0.387 USER MOD Single : A 48 TYR OH : rot -14:sc= 2.48 USER MOD Single : A 49 THR OG1 : rot -119:sc= 0.928 USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= 0.627 (180deg=-1.28!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 1.05 K(o=1.1,f=-2!) USER MOD Single : A 64 MET CE :methyl -175:sc= -0.275 (180deg=-0.306) USER MOD Single : A 65 SER OG : rot 180:sc= 0.601 USER MOD Single : A 67 TYR OH : rot -141:sc= 0.501 USER MOD Single : A 69 THR OG1 : rot -132:sc= 1.2 USER MOD Single : A 70 ASN : amide:sc= -0.0645 K(o=-0.065,f=-2.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 170:sc= -0.18 USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0196) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -138:sc= 0.568 (180deg=-1.65!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 96 THR OG1 : rot 81:sc= 2.07 USER MOD Single : A 99 LYS NZ :NH3+ -105:sc= 0.18 (180deg=-3.15!) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0.735 (180deg=0.327) USER MOD Single : A 102 SER OG : rot -48:sc= 0.787 USER MOD Single : A 104 HEM CMA :methyl 150:sc= -2.23! (180deg=-2.23!) USER MOD Single : A 104 HEM CMB :methyl 150:sc= -0.359 (180deg=-0.359) USER MOD Single : A 104 HEM CMC :methyl 150:sc= -1.29 (180deg=-1.29) USER MOD Single : A 104 HEM CMD :methyl -30:sc= -0.471 (180deg=-2.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -0.096 -7.793 -17.447 1.00 0.00 N ATOM 2 CA THR A -5 -0.831 -7.904 -18.709 1.00 0.00 C ATOM 3 C THR A -5 -2.316 -8.020 -18.408 1.00 0.00 C ATOM 4 O THR A -5 -3.091 -7.384 -19.121 1.00 0.00 O ATOM 5 CB THR A -5 -0.241 -9.098 -19.474 1.00 0.00 C ATOM 6 OG1 THR A -5 0.899 -8.584 -20.144 1.00 0.00 O ATOM 7 CG2 THR A -5 -1.177 -9.701 -20.530 1.00 0.00 C ATOM 0 H1 THR A -5 0.916 -7.662 -17.645 1.00 0.00 H new ATOM 0 H2 THR A -5 -0.452 -6.977 -16.909 1.00 0.00 H new ATOM 0 H3 THR A -5 -0.230 -8.661 -16.890 1.00 0.00 H new ATOM 0 HA THR A -5 -0.728 -7.024 -19.344 1.00 0.00 H new ATOM 0 HB THR A -5 -0.037 -9.899 -18.764 1.00 0.00 H new ATOM 0 HG1 THR A -5 1.329 -9.301 -20.655 1.00 0.00 H new ATOM 0 HG21 THR A -5 -0.680 -10.538 -21.021 1.00 0.00 H new ATOM 0 HG22 THR A -5 -2.090 -10.052 -20.049 1.00 0.00 H new ATOM 0 HG23 THR A -5 -1.427 -8.942 -21.271 1.00 0.00 H new ATOM 8 N GLU A -4 -2.701 -8.777 -17.380 1.00 0.00 N ATOM 9 CA GLU A -4 -4.066 -8.748 -16.880 1.00 0.00 C ATOM 10 C GLU A -4 -4.332 -7.388 -16.223 1.00 0.00 C ATOM 11 O GLU A -4 -5.300 -6.706 -16.556 1.00 0.00 O ATOM 12 CB GLU A -4 -4.317 -9.955 -15.965 1.00 0.00 C ATOM 13 CG GLU A -4 -3.326 -10.147 -14.803 1.00 0.00 C ATOM 14 CD GLU A -4 -3.576 -11.468 -14.081 1.00 0.00 C ATOM 15 OE1 GLU A -4 -4.679 -12.023 -14.267 1.00 0.00 O ATOM 16 OE2 GLU A -4 -2.646 -11.905 -13.370 1.00 0.00 O ATOM 0 H GLU A -4 -2.083 -9.416 -16.881 1.00 0.00 H new ATOM 0 HA GLU A -4 -4.785 -8.844 -17.693 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -5.320 -9.866 -15.548 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -4.305 -10.857 -16.577 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -2.305 -10.125 -15.184 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -3.422 -9.320 -14.099 1.00 0.00 H new ATOM 17 N PHE A -3 -3.419 -6.957 -15.348 1.00 0.00 N ATOM 18 CA PHE A -3 -3.357 -5.566 -14.918 1.00 0.00 C ATOM 19 C PHE A -3 -3.074 -4.673 -16.133 1.00 0.00 C ATOM 20 O PHE A -3 -2.331 -5.059 -17.043 1.00 0.00 O ATOM 21 CB PHE A -3 -2.299 -5.383 -13.818 1.00 0.00 C ATOM 22 CG PHE A -3 -2.020 -3.932 -13.459 1.00 0.00 C ATOM 23 CD1 PHE A -3 -2.837 -3.244 -12.539 1.00 0.00 C ATOM 24 CD2 PHE A -3 -0.985 -3.240 -14.119 1.00 0.00 C ATOM 25 CE1 PHE A -3 -2.628 -1.874 -12.298 1.00 0.00 C ATOM 26 CE2 PHE A -3 -0.785 -1.871 -13.881 1.00 0.00 C ATOM 27 CZ PHE A -3 -1.597 -1.189 -12.961 1.00 0.00 C ATOM 0 H PHE A -3 -2.712 -7.558 -14.925 1.00 0.00 H new ATOM 0 HA PHE A -3 -4.315 -5.273 -14.489 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -2.627 -5.911 -12.922 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -1.369 -5.851 -14.142 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -3.624 -3.769 -12.019 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -0.343 -3.765 -14.811 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -3.263 -1.347 -11.601 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -0.005 -1.341 -14.407 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.429 -0.141 -12.764 1.00 0.00 H new ATOM 28 N LYS A -2 -3.665 -3.474 -16.117 1.00 0.00 N ATOM 29 CA LYS A -2 -3.491 -2.419 -17.098 1.00 0.00 C ATOM 30 C LYS A -2 -3.217 -1.133 -16.319 1.00 0.00 C ATOM 31 O LYS A -2 -3.883 -0.876 -15.316 1.00 0.00 O ATOM 32 CB LYS A -2 -4.748 -2.295 -17.979 1.00 0.00 C ATOM 33 CG LYS A -2 -6.034 -2.102 -17.160 1.00 0.00 C ATOM 34 CD LYS A -2 -7.264 -1.968 -18.067 1.00 0.00 C ATOM 35 CE LYS A -2 -8.510 -1.596 -17.250 1.00 0.00 C ATOM 36 NZ LYS A -2 -8.753 -2.534 -16.137 1.00 0.00 N ATOM 0 H LYS A -2 -4.312 -3.207 -15.375 1.00 0.00 H new ATOM 0 HA LYS A -2 -2.661 -2.633 -17.771 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -4.627 -1.453 -18.660 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -4.845 -3.190 -18.593 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -6.168 -2.948 -16.486 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -5.940 -1.212 -16.538 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -7.081 -1.206 -18.825 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -7.436 -2.907 -18.594 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -8.393 -0.588 -16.853 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -9.380 -1.581 -17.906 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -9.688 -2.346 -15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -8.723 -3.511 -16.493 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -8.020 -2.408 -15.410 1.00 0.00 H new ATOM 37 N ALA A -1 -2.245 -0.337 -16.765 1.00 0.00 N ATOM 38 CA ALA A -1 -1.945 0.933 -16.124 1.00 0.00 C ATOM 39 C ALA A -1 -3.074 1.935 -16.376 1.00 0.00 C ATOM 40 O ALA A -1 -3.730 1.885 -17.417 1.00 0.00 O ATOM 41 CB ALA A -1 -0.603 1.462 -16.632 1.00 0.00 C ATOM 0 H ALA A -1 -1.655 -0.554 -17.568 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.869 0.787 -15.047 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -0.381 2.414 -16.150 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.183 0.744 -16.398 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.653 1.605 -17.711 1.00 0.00 H new ATOM 42 N GLY A 1 -3.284 2.841 -15.421 1.00 0.00 N ATOM 43 CA GLY A 1 -4.119 4.023 -15.564 1.00 0.00 C ATOM 44 C GLY A 1 -3.208 5.218 -15.832 1.00 0.00 C ATOM 45 O GLY A 1 -2.211 5.080 -16.542 1.00 0.00 O ATOM 0 H GLY A 1 -2.860 2.765 -14.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.826 3.892 -16.383 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.705 4.187 -14.660 1.00 0.00 H new ATOM 46 N SER A 2 -3.516 6.380 -15.254 1.00 0.00 N ATOM 47 CA SER A 2 -2.659 7.558 -15.311 1.00 0.00 C ATOM 48 C SER A 2 -1.900 7.738 -13.994 1.00 0.00 C ATOM 49 O SER A 2 -2.085 6.998 -13.031 1.00 0.00 O ATOM 50 CB SER A 2 -3.499 8.798 -15.637 1.00 0.00 C ATOM 51 OG SER A 2 -2.657 9.912 -15.910 1.00 0.00 O ATOM 0 H SER A 2 -4.377 6.528 -14.728 1.00 0.00 H new ATOM 0 HA SER A 2 -1.922 7.421 -16.102 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.136 8.597 -16.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.158 9.029 -14.800 1.00 0.00 H new ATOM 0 HG SER A 2 -3.208 10.695 -16.118 1.00 0.00 H new ATOM 52 N ALA A 3 -1.038 8.755 -13.969 1.00 0.00 N ATOM 53 CA ALA A 3 -0.371 9.232 -12.766 1.00 0.00 C ATOM 54 C ALA A 3 -1.289 10.231 -12.061 1.00 0.00 C ATOM 55 O ALA A 3 -1.526 10.156 -10.855 1.00 0.00 O ATOM 56 CB ALA A 3 0.963 9.881 -13.147 1.00 0.00 C ATOM 0 H ALA A 3 -0.781 9.279 -14.806 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.164 8.404 -12.088 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.464 10.239 -12.247 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.595 9.147 -13.647 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.781 10.720 -13.819 1.00 0.00 H new ATOM 57 N LYS A 4 -1.834 11.179 -12.826 1.00 0.00 N ATOM 58 CA LYS A 4 -2.881 12.045 -12.313 1.00 0.00 C ATOM 59 C LYS A 4 -4.135 11.193 -12.087 1.00 0.00 C ATOM 60 O LYS A 4 -4.198 10.064 -12.565 1.00 0.00 O ATOM 61 CB LYS A 4 -3.114 13.214 -13.278 1.00 0.00 C ATOM 62 CG LYS A 4 -1.827 14.037 -13.437 1.00 0.00 C ATOM 63 CD LYS A 4 -2.079 15.316 -14.246 1.00 0.00 C ATOM 64 CE LYS A 4 -0.776 16.119 -14.377 1.00 0.00 C ATOM 65 NZ LYS A 4 -0.968 17.388 -15.112 1.00 0.00 N ATOM 0 H LYS A 4 -1.566 11.361 -13.793 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.597 12.490 -11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.434 12.835 -14.249 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.916 13.850 -12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.436 14.297 -12.454 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.066 13.434 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.460 15.062 -15.235 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.842 15.922 -13.756 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.383 16.334 -13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.029 15.514 -14.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.061 17.894 -15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.318 17.185 -16.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.660 17.979 -14.609 1.00 0.00 H new ATOM 66 N LYS A 5 -5.100 11.695 -11.309 1.00 0.00 N ATOM 67 CA LYS A 5 -6.314 10.993 -10.890 1.00 0.00 C ATOM 68 C LYS A 5 -5.961 9.984 -9.794 1.00 0.00 C ATOM 69 O LYS A 5 -6.460 10.072 -8.673 1.00 0.00 O ATOM 70 CB LYS A 5 -7.052 10.375 -12.091 1.00 0.00 C ATOM 71 CG LYS A 5 -8.442 9.834 -11.736 1.00 0.00 C ATOM 72 CD LYS A 5 -9.161 9.350 -13.004 1.00 0.00 C ATOM 73 CE LYS A 5 -9.783 10.506 -13.803 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.320 10.042 -15.099 1.00 0.00 N ATOM 0 H LYS A 5 -5.052 12.644 -10.939 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.023 11.702 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.152 11.127 -12.874 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.449 9.565 -12.502 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.350 9.013 -11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.030 10.612 -11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.454 8.814 -13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.942 8.642 -12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.582 10.964 -13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.032 11.277 -13.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.732 10.847 -15.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.552 9.627 -15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.054 9.324 -14.934 1.00 0.00 H new ATOM 75 N GLY A 6 -5.029 9.084 -10.093 1.00 0.00 N ATOM 76 CA GLY A 6 -4.456 8.167 -9.122 1.00 0.00 C ATOM 77 C GLY A 6 -3.880 8.946 -7.943 1.00 0.00 C ATOM 78 O GLY A 6 -4.073 8.584 -6.783 1.00 0.00 O ATOM 0 H GLY A 6 -4.647 8.972 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.219 7.473 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.674 7.570 -9.591 1.00 0.00 H new ATOM 79 N ALA A 7 -3.218 10.063 -8.258 1.00 0.00 N ATOM 80 CA ALA A 7 -2.748 11.034 -7.289 1.00 0.00 C ATOM 81 C ALA A 7 -3.875 11.455 -6.354 1.00 0.00 C ATOM 82 O ALA A 7 -3.720 11.428 -5.135 1.00 0.00 O ATOM 83 CB ALA A 7 -2.189 12.240 -8.052 1.00 0.00 C ATOM 0 H ALA A 7 -2.993 10.315 -9.220 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.966 10.594 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.829 12.985 -7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.365 11.918 -8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.975 12.677 -8.669 1.00 0.00 H new ATOM 84 N THR A 8 -5.008 11.853 -6.926 1.00 0.00 N ATOM 85 CA THR A 8 -6.145 12.360 -6.187 1.00 0.00 C ATOM 86 C THR A 8 -6.694 11.261 -5.276 1.00 0.00 C ATOM 87 O THR A 8 -6.963 11.494 -4.099 1.00 0.00 O ATOM 88 CB THR A 8 -7.182 12.848 -7.206 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.523 13.554 -8.245 1.00 0.00 O ATOM 90 CG2 THR A 8 -8.233 13.751 -6.554 1.00 0.00 C ATOM 0 H THR A 8 -5.158 11.829 -7.935 1.00 0.00 H new ATOM 0 HA THR A 8 -5.867 13.194 -5.543 1.00 0.00 H new ATOM 0 HB THR A 8 -7.697 11.977 -7.611 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.183 13.866 -8.899 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.950 14.077 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.754 13.198 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.744 14.622 -6.118 1.00 0.00 H new ATOM 91 N LEU A 9 -6.830 10.048 -5.816 1.00 0.00 N ATOM 92 CA LEU A 9 -7.294 8.887 -5.087 1.00 0.00 C ATOM 93 C LEU A 9 -6.378 8.646 -3.885 1.00 0.00 C ATOM 94 O LEU A 9 -6.843 8.631 -2.747 1.00 0.00 O ATOM 95 CB LEU A 9 -7.329 7.691 -6.052 1.00 0.00 C ATOM 96 CG LEU A 9 -8.722 7.323 -6.595 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.637 6.762 -5.500 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.394 8.500 -7.312 1.00 0.00 C ATOM 0 H LEU A 9 -6.614 9.851 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.301 9.037 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.674 7.907 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.915 6.821 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.562 6.536 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.609 6.516 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.189 5.863 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.765 7.508 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.374 8.192 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.511 9.331 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.776 8.815 -8.153 1.00 0.00 H new ATOM 99 N PHE A 10 -5.070 8.514 -4.128 1.00 0.00 N ATOM 100 CA PHE A 10 -4.086 8.383 -3.059 1.00 0.00 C ATOM 101 C PHE A 10 -4.296 9.477 -2.013 1.00 0.00 C ATOM 102 O PHE A 10 -4.413 9.199 -0.817 1.00 0.00 O ATOM 103 CB PHE A 10 -2.660 8.432 -3.626 1.00 0.00 C ATOM 104 CG PHE A 10 -1.578 8.323 -2.566 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.136 7.059 -2.136 1.00 0.00 C ATOM 106 CD2 PHE A 10 -1.070 9.484 -1.952 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.221 6.961 -1.069 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.162 9.384 -0.885 1.00 0.00 C ATOM 109 CZ PHE A 10 0.244 8.120 -0.429 1.00 0.00 C ATOM 0 H PHE A 10 -4.670 8.495 -5.066 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.221 7.415 -2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.536 7.621 -4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.528 9.365 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.497 6.165 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.380 10.457 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.124 5.991 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.223 10.278 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.914 8.040 0.414 1.00 0.00 H new ATOM 110 N LYS A 11 -4.360 10.727 -2.481 1.00 0.00 N ATOM 111 CA LYS A 11 -4.432 11.895 -1.617 1.00 0.00 C ATOM 112 C LYS A 11 -5.698 11.893 -0.757 1.00 0.00 C ATOM 113 O LYS A 11 -5.660 12.367 0.376 1.00 0.00 O ATOM 114 CB LYS A 11 -4.249 13.180 -2.433 1.00 0.00 C ATOM 115 CG LYS A 11 -2.750 13.288 -2.747 1.00 0.00 C ATOM 116 CD LYS A 11 -2.415 14.256 -3.886 1.00 0.00 C ATOM 117 CE LYS A 11 -1.245 13.681 -4.699 1.00 0.00 C ATOM 118 NZ LYS A 11 0.017 13.562 -3.941 1.00 0.00 N ATOM 0 H LYS A 11 -4.363 10.952 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.605 11.852 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.836 13.143 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.591 14.049 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.224 13.607 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.372 12.298 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.285 14.400 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.150 15.234 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.526 12.696 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.075 14.315 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.414 12.610 -4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.696 14.271 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.169 13.721 -2.930 1.00 0.00 H new ATOM 119 N THR A 12 -6.806 11.358 -1.272 1.00 0.00 N ATOM 120 CA THR A 12 -8.073 11.336 -0.551 1.00 0.00 C ATOM 121 C THR A 12 -8.290 10.048 0.253 1.00 0.00 C ATOM 122 O THR A 12 -9.254 9.992 1.014 1.00 0.00 O ATOM 123 CB THR A 12 -9.235 11.605 -1.519 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.183 10.738 -2.633 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.206 13.055 -2.017 1.00 0.00 C ATOM 0 H THR A 12 -6.847 10.930 -2.197 1.00 0.00 H new ATOM 0 HA THR A 12 -8.037 12.136 0.189 1.00 0.00 H new ATOM 0 HB THR A 12 -10.159 11.427 -0.969 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.479 11.035 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.038 13.222 -2.701 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.293 13.733 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.266 13.243 -2.537 1.00 0.00 H new ATOM 126 N ARG A 13 -7.449 9.013 0.096 1.00 0.00 N ATOM 127 CA ARG A 13 -7.717 7.700 0.685 1.00 0.00 C ATOM 128 C ARG A 13 -6.518 7.115 1.431 1.00 0.00 C ATOM 129 O ARG A 13 -6.676 6.588 2.528 1.00 0.00 O ATOM 130 CB ARG A 13 -8.218 6.724 -0.391 1.00 0.00 C ATOM 131 CG ARG A 13 -9.498 7.257 -1.054 1.00 0.00 C ATOM 132 CD ARG A 13 -10.220 6.197 -1.894 1.00 0.00 C ATOM 133 NE ARG A 13 -10.847 5.166 -1.046 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.791 4.302 -1.453 1.00 0.00 C ATOM 135 NH1 ARG A 13 -12.219 4.332 -2.722 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.299 3.406 -0.597 1.00 0.00 N ATOM 0 H ARG A 13 -6.579 9.065 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.497 7.847 1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.445 6.579 -1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.413 5.750 0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.175 7.625 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.246 8.107 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.982 6.676 -2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.511 5.727 -2.575 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.540 5.104 -0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.828 5.010 -3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.936 3.677 -3.034 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.969 3.378 0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.016 2.751 -0.910 1.00 0.00 H new ATOM 137 N CYS A 14 -5.330 7.149 0.831 1.00 0.00 N ATOM 138 CA CYS A 14 -4.158 6.467 1.368 1.00 0.00 C ATOM 139 C CYS A 14 -3.378 7.435 2.255 1.00 0.00 C ATOM 140 O CYS A 14 -3.006 7.098 3.379 1.00 0.00 O ATOM 141 CB CYS A 14 -3.296 5.939 0.248 1.00 0.00 C ATOM 142 SG CYS A 14 -4.193 5.018 -1.042 1.00 0.00 S ATOM 0 H CYS A 14 -5.154 7.650 -0.040 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.474 5.614 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.778 6.777 -0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.532 5.289 0.673 1.00 0.00 H new ATOM 143 N LEU A 15 -3.170 8.659 1.750 1.00 0.00 N ATOM 144 CA LEU A 15 -2.461 9.745 2.426 1.00 0.00 C ATOM 145 C LEU A 15 -2.939 9.919 3.868 1.00 0.00 C ATOM 146 O LEU A 15 -2.141 10.231 4.751 1.00 0.00 O ATOM 147 CB LEU A 15 -2.687 11.033 1.626 1.00 0.00 C ATOM 148 CG LEU A 15 -1.989 12.290 2.167 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.654 12.506 1.457 1.00 0.00 C ATOM 150 CD2 LEU A 15 -2.885 13.520 1.978 1.00 0.00 C ATOM 0 H LEU A 15 -3.505 8.926 0.824 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.398 9.507 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.350 10.866 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.759 11.227 1.581 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.803 12.148 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.172 13.401 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.009 11.643 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.826 12.629 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.377 14.403 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.094 13.658 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.822 13.374 2.516 1.00 0.00 H new ATOM 151 N GLN A 16 -4.239 9.716 4.098 1.00 0.00 N ATOM 152 CA GLN A 16 -4.854 9.625 5.415 1.00 0.00 C ATOM 153 C GLN A 16 -3.912 8.941 6.413 1.00 0.00 C ATOM 154 O GLN A 16 -3.563 9.517 7.444 1.00 0.00 O ATOM 155 CB GLN A 16 -6.171 8.844 5.260 1.00 0.00 C ATOM 156 CG GLN A 16 -6.980 8.751 6.561 1.00 0.00 C ATOM 157 CD GLN A 16 -8.264 7.941 6.383 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.533 7.388 5.321 1.00 0.00 O ATOM 159 NE2 GLN A 16 -9.081 7.857 7.428 1.00 0.00 N ATOM 0 H GLN A 16 -4.913 9.607 3.340 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.056 10.620 5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.781 9.323 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.949 7.837 4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.367 8.292 7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.230 9.755 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.840 8.324 8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.949 7.326 7.355 1.00 0.00 H new ATOM 160 N CYS A 17 -3.491 7.718 6.085 1.00 0.00 N ATOM 161 CA CYS A 17 -2.786 6.826 6.993 1.00 0.00 C ATOM 162 C CYS A 17 -1.303 6.718 6.650 1.00 0.00 C ATOM 163 O CYS A 17 -0.486 6.509 7.550 1.00 0.00 O ATOM 164 CB CYS A 17 -3.431 5.467 6.943 1.00 0.00 C ATOM 165 SG CYS A 17 -5.051 5.519 7.770 1.00 0.00 S ATOM 0 H CYS A 17 -3.636 7.316 5.159 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.853 7.238 8.000 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.552 5.150 5.907 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.789 4.732 7.428 1.00 0.00 H new ATOM 166 N HIS A 18 -0.971 6.833 5.362 1.00 0.00 N ATOM 167 CA HIS A 18 0.350 6.588 4.794 1.00 0.00 C ATOM 168 C HIS A 18 1.079 7.867 4.377 1.00 0.00 C ATOM 169 O HIS A 18 0.550 8.978 4.457 1.00 0.00 O ATOM 170 CB HIS A 18 0.179 5.682 3.570 1.00 0.00 C ATOM 171 CG HIS A 18 -0.148 4.270 3.944 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.794 3.314 4.222 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.371 3.658 3.898 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.162 2.141 4.314 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.156 2.296 4.133 1.00 0.00 N ATOM 0 H HIS A 18 -1.651 7.113 4.656 1.00 0.00 H new ATOM 0 HA HIS A 18 0.962 6.121 5.566 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.613 6.079 2.936 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.096 5.695 2.981 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.795 3.470 4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.322 4.136 3.715 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.648 1.196 4.508 1.00 0.00 H new ATOM 176 N THR A 19 2.307 7.662 3.896 1.00 0.00 N ATOM 177 CA THR A 19 3.116 8.595 3.136 1.00 0.00 C ATOM 178 C THR A 19 3.765 7.801 1.995 1.00 0.00 C ATOM 179 O THR A 19 3.892 6.581 2.105 1.00 0.00 O ATOM 180 CB THR A 19 4.177 9.232 4.053 1.00 0.00 C ATOM 181 OG1 THR A 19 4.954 8.251 4.727 1.00 0.00 O ATOM 182 CG2 THR A 19 3.540 10.171 5.079 1.00 0.00 C ATOM 0 H THR A 19 2.789 6.775 4.042 1.00 0.00 H new ATOM 0 HA THR A 19 2.514 9.407 2.728 1.00 0.00 H new ATOM 0 HB THR A 19 4.836 9.810 3.405 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.838 8.350 5.695 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.318 10.603 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.008 10.969 4.561 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.840 9.611 5.699 1.00 0.00 H new ATOM 183 N VAL A 20 4.131 8.463 0.891 1.00 0.00 N ATOM 184 CA VAL A 20 4.805 7.855 -0.262 1.00 0.00 C ATOM 185 C VAL A 20 6.120 8.577 -0.601 1.00 0.00 C ATOM 186 O VAL A 20 6.851 8.167 -1.499 1.00 0.00 O ATOM 187 CB VAL A 20 3.808 7.821 -1.436 1.00 0.00 C ATOM 188 CG1 VAL A 20 3.548 9.203 -2.052 1.00 0.00 C ATOM 189 CG2 VAL A 20 4.214 6.829 -2.534 1.00 0.00 C ATOM 0 H VAL A 20 3.962 9.462 0.772 1.00 0.00 H new ATOM 0 HA VAL A 20 5.103 6.833 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 20 2.876 7.475 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.837 9.108 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.138 9.869 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.484 9.615 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.474 6.849 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.189 7.108 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.268 5.824 -2.115 1.00 0.00 H new ATOM 190 N GLU A 21 6.428 9.665 0.108 1.00 0.00 N ATOM 191 CA GLU A 21 7.626 10.466 -0.082 1.00 0.00 C ATOM 192 C GLU A 21 8.852 9.742 0.486 1.00 0.00 C ATOM 193 O GLU A 21 8.727 8.942 1.416 1.00 0.00 O ATOM 194 CB GLU A 21 7.385 11.811 0.615 1.00 0.00 C ATOM 195 CG GLU A 21 7.232 11.639 2.136 1.00 0.00 C ATOM 196 CD GLU A 21 6.274 12.643 2.758 1.00 0.00 C ATOM 197 OE1 GLU A 21 6.272 13.800 2.290 1.00 0.00 O ATOM 198 OE2 GLU A 21 5.536 12.214 3.671 1.00 0.00 O ATOM 0 H GLU A 21 5.827 10.019 0.853 1.00 0.00 H new ATOM 0 HA GLU A 21 7.827 10.628 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.216 12.484 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.487 12.277 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.879 10.630 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.210 11.739 2.607 1.00 0.00 H new ATOM 199 N LYS A 22 10.046 10.026 -0.045 1.00 0.00 N ATOM 200 CA LYS A 22 11.274 9.521 0.520 1.00 0.00 C ATOM 201 C LYS A 22 11.452 10.079 1.933 1.00 0.00 C ATOM 202 O LYS A 22 11.666 11.276 2.103 1.00 0.00 O ATOM 203 CB LYS A 22 12.448 9.919 -0.385 1.00 0.00 C ATOM 204 CG LYS A 22 12.633 8.946 -1.547 1.00 0.00 C ATOM 205 CD LYS A 22 14.095 8.695 -1.939 1.00 0.00 C ATOM 206 CE LYS A 22 14.756 9.934 -2.553 1.00 0.00 C ATOM 207 NZ LYS A 22 16.140 9.650 -2.984 1.00 0.00 N ATOM 0 H LYS A 22 10.174 10.609 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 22 11.240 8.433 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.280 10.922 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.364 9.956 0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.172 7.994 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.098 9.331 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.657 8.386 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.141 7.871 -2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.170 10.275 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.760 10.745 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.559 10.509 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.704 9.348 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.133 8.893 -3.697 1.00 0.00 H new ATOM 208 N GLY A 23 11.383 9.201 2.936 1.00 0.00 N ATOM 209 CA GLY A 23 11.606 9.562 4.326 1.00 0.00 C ATOM 210 C GLY A 23 10.343 10.087 5.005 1.00 0.00 C ATOM 211 O GLY A 23 10.433 10.666 6.086 1.00 0.00 O ATOM 0 H GLY A 23 11.169 8.213 2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.971 8.691 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.386 10.322 4.380 1.00 0.00 H new ATOM 212 N GLY A 24 9.162 9.866 4.416 1.00 0.00 N ATOM 213 CA GLY A 24 7.923 10.167 5.116 1.00 0.00 C ATOM 214 C GLY A 24 7.799 9.266 6.346 1.00 0.00 C ATOM 215 O GLY A 24 8.222 8.111 6.293 1.00 0.00 O ATOM 0 H GLY A 24 9.045 9.488 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.908 11.215 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.072 10.014 4.453 1.00 0.00 H new ATOM 216 N PRO A 25 7.244 9.757 7.464 1.00 0.00 N ATOM 217 CA PRO A 25 7.099 8.955 8.664 1.00 0.00 C ATOM 218 C PRO A 25 6.077 7.830 8.460 1.00 0.00 C ATOM 219 O PRO A 25 5.146 7.944 7.656 1.00 0.00 O ATOM 220 CB PRO A 25 6.673 9.935 9.762 1.00 0.00 C ATOM 221 CG PRO A 25 5.979 11.058 8.989 1.00 0.00 C ATOM 222 CD PRO A 25 6.768 11.113 7.679 1.00 0.00 C ATOM 0 HA PRO A 25 8.027 8.451 8.932 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.000 9.466 10.479 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.530 10.305 10.324 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.925 10.838 8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.023 12.005 9.527 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.138 11.445 6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.598 11.816 7.749 1.00 0.00 H new ATOM 223 N HIS A 26 6.255 6.752 9.232 1.00 0.00 N ATOM 224 CA HIS A 26 5.312 5.649 9.342 1.00 0.00 C ATOM 225 C HIS A 26 4.219 6.120 10.301 1.00 0.00 C ATOM 226 O HIS A 26 4.355 5.964 11.511 1.00 0.00 O ATOM 227 CB HIS A 26 6.017 4.366 9.843 1.00 0.00 C ATOM 228 CG HIS A 26 7.368 4.110 9.218 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.642 3.270 8.161 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.544 4.707 9.585 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.949 3.401 7.874 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.541 4.263 8.715 1.00 0.00 N ATOM 0 H HIS A 26 7.085 6.626 9.811 1.00 0.00 H new ATOM 0 HA HIS A 26 4.883 5.387 8.375 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.137 4.431 10.924 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.371 3.511 9.645 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.677 5.399 10.403 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.455 2.882 7.073 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.523 4.539 8.718 1.00 0.00 H new ATOM 233 N LYS A 27 3.189 6.784 9.769 1.00 0.00 N ATOM 234 CA LYS A 27 2.128 7.388 10.557 1.00 0.00 C ATOM 235 C LYS A 27 1.210 6.294 11.124 1.00 0.00 C ATOM 236 O LYS A 27 1.553 5.639 12.104 1.00 0.00 O ATOM 237 CB LYS A 27 1.361 8.375 9.675 1.00 0.00 C ATOM 238 CG LYS A 27 2.163 9.592 9.210 1.00 0.00 C ATOM 239 CD LYS A 27 1.221 10.606 8.538 1.00 0.00 C ATOM 240 CE LYS A 27 0.307 9.927 7.499 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.378 10.876 6.603 1.00 0.00 N ATOM 0 H LYS A 27 3.073 6.915 8.764 1.00 0.00 H new ATOM 0 HA LYS A 27 2.544 7.933 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.995 7.844 8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.486 8.724 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.666 10.055 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.939 9.283 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.610 11.095 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.810 11.384 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.902 9.239 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.440 9.329 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.865 10.351 5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.073 11.427 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.320 11.520 6.181 1.00 0.00 H new ATOM 242 N VAL A 28 0.036 6.083 10.517 1.00 0.00 N ATOM 243 CA VAL A 28 -0.810 4.954 10.866 1.00 0.00 C ATOM 244 C VAL A 28 -0.306 3.757 10.073 1.00 0.00 C ATOM 245 O VAL A 28 -0.100 2.694 10.653 1.00 0.00 O ATOM 246 CB VAL A 28 -2.287 5.269 10.593 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.165 4.018 10.701 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.799 6.282 11.615 1.00 0.00 C ATOM 0 H VAL A 28 -0.342 6.683 9.784 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.754 4.732 11.932 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.347 5.665 9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.203 4.284 10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.833 3.277 9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.084 3.602 11.705 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.848 6.501 11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.699 5.869 12.619 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.216 7.200 11.541 1.00 0.00 H new ATOM 249 N GLY A 29 -0.096 3.935 8.766 1.00 0.00 N ATOM 250 CA GLY A 29 0.509 2.940 7.896 1.00 0.00 C ATOM 251 C GLY A 29 1.982 3.280 7.652 1.00 0.00 C ATOM 252 O GLY A 29 2.386 4.431 7.841 1.00 0.00 O ATOM 0 H GLY A 29 -0.349 4.795 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.426 1.952 8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.026 2.902 6.947 1.00 0.00 H new ATOM 253 N PRO A 30 2.802 2.303 7.236 1.00 0.00 N ATOM 254 CA PRO A 30 4.201 2.528 6.924 1.00 0.00 C ATOM 255 C PRO A 30 4.350 3.357 5.653 1.00 0.00 C ATOM 256 O PRO A 30 3.456 3.397 4.813 1.00 0.00 O ATOM 257 CB PRO A 30 4.826 1.142 6.760 1.00 0.00 C ATOM 258 CG PRO A 30 3.642 0.293 6.296 1.00 0.00 C ATOM 259 CD PRO A 30 2.450 0.910 7.028 1.00 0.00 C ATOM 0 HA PRO A 30 4.699 3.091 7.713 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.633 1.146 6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.246 0.774 7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.516 0.338 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.774 -0.757 6.558 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.538 0.819 6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.268 0.405 7.977 1.00 0.00 H new ATOM 260 N ASN A 31 5.500 4.006 5.499 1.00 0.00 N ATOM 261 CA ASN A 31 5.813 4.737 4.283 1.00 0.00 C ATOM 262 C ASN A 31 5.885 3.774 3.092 1.00 0.00 C ATOM 263 O ASN A 31 6.506 2.719 3.194 1.00 0.00 O ATOM 264 CB ASN A 31 7.136 5.471 4.475 1.00 0.00 C ATOM 265 CG ASN A 31 7.527 6.214 3.207 1.00 0.00 C ATOM 266 OD1 ASN A 31 8.235 5.670 2.369 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.058 7.444 3.041 1.00 0.00 N ATOM 0 H ASN A 31 6.233 4.038 6.208 1.00 0.00 H new ATOM 0 HA ASN A 31 5.029 5.465 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.050 6.175 5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.917 4.759 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.285 7.966 2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.471 7.867 3.760 1.00 0.00 H new ATOM 268 N LEU A 32 5.245 4.131 1.976 1.00 0.00 N ATOM 269 CA LEU A 32 5.102 3.291 0.794 1.00 0.00 C ATOM 270 C LEU A 32 6.114 3.665 -0.297 1.00 0.00 C ATOM 271 O LEU A 32 5.907 3.327 -1.465 1.00 0.00 O ATOM 272 CB LEU A 32 3.651 3.400 0.283 1.00 0.00 C ATOM 273 CG LEU A 32 2.606 2.931 1.311 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.203 3.038 0.703 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.843 1.482 1.758 1.00 0.00 C ATOM 0 H LEU A 32 4.799 5.042 1.871 1.00 0.00 H new ATOM 0 HA LEU A 32 5.315 2.256 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.445 4.436 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.548 2.807 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 32 2.699 3.575 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.464 2.706 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.003 4.074 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.143 2.411 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.081 1.196 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.788 0.821 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.829 1.399 2.216 1.00 0.00 H new ATOM 276 N HIS A 33 7.213 4.348 0.044 1.00 0.00 N ATOM 277 CA HIS A 33 8.262 4.609 -0.927 1.00 0.00 C ATOM 278 C HIS A 33 9.095 3.345 -1.147 1.00 0.00 C ATOM 279 O HIS A 33 9.316 2.578 -0.213 1.00 0.00 O ATOM 280 CB HIS A 33 9.127 5.795 -0.508 1.00 0.00 C ATOM 281 CG HIS A 33 9.828 6.403 -1.692 1.00 0.00 C ATOM 282 ND1 HIS A 33 9.382 7.489 -2.406 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.975 5.951 -2.288 1.00 0.00 C ATOM 284 CE1 HIS A 33 10.271 7.718 -3.385 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.266 6.815 -3.346 1.00 0.00 N ATOM 0 H HIS A 33 7.391 4.723 0.976 1.00 0.00 H new ATOM 0 HA HIS A 33 7.800 4.881 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.506 6.548 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.864 5.470 0.226 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.532 8.023 -2.225 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.549 5.085 -1.994 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.197 8.519 -4.106 1.00 0.00 H new ATOM 286 N GLY A 34 9.535 3.113 -2.389 1.00 0.00 N ATOM 287 CA GLY A 34 10.286 1.925 -2.770 1.00 0.00 C ATOM 288 C GLY A 34 9.561 0.620 -2.425 1.00 0.00 C ATOM 289 O GLY A 34 10.206 -0.410 -2.252 1.00 0.00 O ATOM 0 H GLY A 34 9.374 3.757 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.480 1.953 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.255 1.939 -2.270 1.00 0.00 H new ATOM 290 N ILE A 35 8.227 0.652 -2.328 1.00 0.00 N ATOM 291 CA ILE A 35 7.429 -0.523 -2.003 1.00 0.00 C ATOM 292 C ILE A 35 7.480 -1.508 -3.176 1.00 0.00 C ATOM 293 O ILE A 35 7.750 -2.692 -2.995 1.00 0.00 O ATOM 294 CB ILE A 35 6.004 -0.079 -1.609 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.140 -1.213 -1.044 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.206 0.555 -2.749 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.427 -1.445 0.433 1.00 0.00 C ATOM 0 H ILE A 35 7.675 1.497 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 35 7.832 -1.054 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 35 6.201 0.667 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.086 -0.971 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.330 -2.130 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.217 0.838 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.728 1.441 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.103 -0.162 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.798 -2.255 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.476 -1.712 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.212 -0.535 0.993 1.00 0.00 H new ATOM 298 N PHE A 36 7.243 -1.002 -4.388 1.00 0.00 N ATOM 299 CA PHE A 36 7.190 -1.780 -5.607 1.00 0.00 C ATOM 300 C PHE A 36 8.512 -2.501 -5.843 1.00 0.00 C ATOM 301 O PHE A 36 9.501 -1.890 -6.239 1.00 0.00 O ATOM 302 CB PHE A 36 6.788 -0.892 -6.790 1.00 0.00 C ATOM 303 CG PHE A 36 5.290 -0.665 -6.840 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.461 -1.696 -7.323 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.709 0.439 -6.191 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.067 -1.609 -7.183 1.00 0.00 C ATOM 307 CE2 PHE A 36 3.323 0.492 -6.005 1.00 0.00 C ATOM 308 CZ PHE A 36 2.493 -0.507 -6.530 1.00 0.00 C ATOM 0 H PHE A 36 7.079 -0.007 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 36 6.424 -2.549 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.299 0.068 -6.714 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.117 -1.355 -7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.900 -2.558 -7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.333 1.246 -5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.435 -2.391 -7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.889 1.311 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.420 -0.430 -6.433 1.00 0.00 H new ATOM 309 N GLY A 37 8.500 -3.811 -5.605 1.00 0.00 N ATOM 310 CA GLY A 37 9.627 -4.703 -5.822 1.00 0.00 C ATOM 311 C GLY A 37 10.379 -5.041 -4.535 1.00 0.00 C ATOM 312 O GLY A 37 11.294 -5.863 -4.573 1.00 0.00 O ATOM 0 H GLY A 37 7.676 -4.292 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.270 -5.625 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.317 -4.242 -6.529 1.00 0.00 H new ATOM 313 N ARG A 38 10.022 -4.426 -3.402 1.00 0.00 N ATOM 314 CA ARG A 38 10.619 -4.715 -2.109 1.00 0.00 C ATOM 315 C ARG A 38 9.602 -5.511 -1.291 1.00 0.00 C ATOM 316 O ARG A 38 8.438 -5.130 -1.219 1.00 0.00 O ATOM 317 CB ARG A 38 11.011 -3.397 -1.427 1.00 0.00 C ATOM 318 CG ARG A 38 11.637 -3.559 -0.035 1.00 0.00 C ATOM 319 CD ARG A 38 12.978 -4.305 -0.030 1.00 0.00 C ATOM 320 NE ARG A 38 13.520 -4.356 1.339 1.00 0.00 N ATOM 321 CZ ARG A 38 14.139 -5.407 1.893 1.00 0.00 C ATOM 322 NH1 ARG A 38 14.565 -6.406 1.117 1.00 0.00 N ATOM 323 NH2 ARG A 38 14.298 -5.467 3.220 1.00 0.00 N ATOM 0 H ARG A 38 9.301 -3.706 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 38 11.527 -5.309 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.715 -2.867 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.124 -2.770 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.782 -2.571 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.935 -4.092 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.843 -5.316 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.685 -3.804 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 38 13.415 -3.520 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.419 -6.366 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.037 -7.209 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.948 -4.712 3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.769 -6.267 3.641 1.00 0.00 H new ATOM 324 N GLN A 39 10.045 -6.613 -0.678 1.00 0.00 N ATOM 325 CA GLN A 39 9.206 -7.486 0.117 1.00 0.00 C ATOM 326 C GLN A 39 8.370 -6.732 1.152 1.00 0.00 C ATOM 327 O GLN A 39 8.736 -5.651 1.609 1.00 0.00 O ATOM 328 CB GLN A 39 10.093 -8.518 0.821 1.00 0.00 C ATOM 329 CG GLN A 39 11.039 -7.876 1.855 1.00 0.00 C ATOM 330 CD GLN A 39 12.190 -8.772 2.312 1.00 0.00 C ATOM 331 OE1 GLN A 39 13.346 -8.536 1.971 1.00 0.00 O ATOM 332 NE2 GLN A 39 11.924 -9.782 3.125 1.00 0.00 N ATOM 0 H GLN A 39 11.016 -6.920 -0.727 1.00 0.00 H new ATOM 0 HA GLN A 39 8.502 -7.972 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.463 -9.255 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.683 -9.053 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.455 -6.963 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.456 -7.583 2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.962 -9.972 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.681 -10.370 3.472 1.00 0.00 H new ATOM 333 N SER A 40 7.270 -7.353 1.556 1.00 0.00 N ATOM 334 CA SER A 40 6.375 -6.846 2.581 1.00 0.00 C ATOM 335 C SER A 40 7.011 -7.040 3.956 1.00 0.00 C ATOM 336 O SER A 40 7.930 -7.847 4.103 1.00 0.00 O ATOM 337 CB SER A 40 5.014 -7.535 2.443 1.00 0.00 C ATOM 338 OG SER A 40 5.051 -8.868 2.910 1.00 0.00 O ATOM 0 H SER A 40 6.970 -8.247 1.168 1.00 0.00 H new ATOM 0 HA SER A 40 6.208 -5.776 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.265 -6.975 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.706 -7.525 1.398 1.00 0.00 H new ATOM 0 HG SER A 40 4.716 -8.902 3.830 1.00 0.00 H new ATOM 339 N GLY A 41 6.538 -6.302 4.965 1.00 0.00 N ATOM 340 CA GLY A 41 7.045 -6.472 6.320 1.00 0.00 C ATOM 341 C GLY A 41 8.556 -6.218 6.375 1.00 0.00 C ATOM 342 O GLY A 41 9.297 -7.015 6.945 1.00 0.00 O ATOM 0 H GLY A 41 5.814 -5.591 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.532 -5.785 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.829 -7.482 6.669 1.00 0.00 H new ATOM 343 N GLN A 42 9.006 -5.111 5.771 1.00 0.00 N ATOM 344 CA GLN A 42 10.418 -4.804 5.561 1.00 0.00 C ATOM 345 C GLN A 42 10.930 -3.588 6.345 1.00 0.00 C ATOM 346 O GLN A 42 12.093 -3.572 6.725 1.00 0.00 O ATOM 347 CB GLN A 42 10.704 -4.718 4.066 1.00 0.00 C ATOM 348 CG GLN A 42 10.208 -3.400 3.475 1.00 0.00 C ATOM 349 CD GLN A 42 11.301 -2.338 3.363 1.00 0.00 C ATOM 350 OE1 GLN A 42 12.477 -2.658 3.188 1.00 0.00 O ATOM 351 NE2 GLN A 42 10.929 -1.065 3.429 1.00 0.00 N ATOM 0 H GLN A 42 8.381 -4.391 5.408 1.00 0.00 H new ATOM 0 HA GLN A 42 10.994 -5.628 5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.776 -4.814 3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.223 -5.551 3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.791 -3.588 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.398 -3.014 4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.948 -0.827 3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.624 -0.325 3.334 1.00 0.00 H new ATOM 352 N ALA A 43 10.094 -2.564 6.554 1.00 0.00 N ATOM 353 CA ALA A 43 10.467 -1.344 7.261 1.00 0.00 C ATOM 354 C ALA A 43 10.496 -1.576 8.777 1.00 0.00 C ATOM 355 O ALA A 43 9.455 -1.516 9.430 1.00 0.00 O ATOM 356 CB ALA A 43 9.474 -0.235 6.902 1.00 0.00 C ATOM 0 H ALA A 43 9.127 -2.565 6.230 1.00 0.00 H new ATOM 0 HA ALA A 43 11.470 -1.046 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.746 0.681 7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.499 -0.058 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.469 -0.537 7.197 1.00 0.00 H new ATOM 357 N GLU A 44 11.676 -1.842 9.337 1.00 0.00 N ATOM 358 CA GLU A 44 11.861 -2.192 10.736 1.00 0.00 C ATOM 359 C GLU A 44 11.422 -1.069 11.691 1.00 0.00 C ATOM 360 O GLU A 44 11.126 0.055 11.284 1.00 0.00 O ATOM 361 CB GLU A 44 13.333 -2.569 10.978 1.00 0.00 C ATOM 362 CG GLU A 44 13.873 -3.622 9.990 1.00 0.00 C ATOM 363 CD GLU A 44 14.558 -3.031 8.758 1.00 0.00 C ATOM 364 OE1 GLU A 44 14.180 -1.899 8.378 1.00 0.00 O ATOM 365 OE2 GLU A 44 15.457 -3.717 8.228 1.00 0.00 O ATOM 0 H GLU A 44 12.550 -1.818 8.812 1.00 0.00 H new ATOM 0 HA GLU A 44 11.220 -3.047 10.953 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.945 -1.670 10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.439 -2.949 11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.581 -4.265 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.048 -4.255 9.664 1.00 0.00 H new ATOM 366 N GLY A 45 11.393 -1.372 12.993 1.00 0.00 N ATOM 367 CA GLY A 45 11.130 -0.396 14.046 1.00 0.00 C ATOM 368 C GLY A 45 9.637 -0.110 14.206 1.00 0.00 C ATOM 369 O GLY A 45 9.099 -0.197 15.308 1.00 0.00 O ATOM 0 H GLY A 45 11.554 -2.315 13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.531 -0.765 14.990 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.654 0.532 13.818 1.00 0.00 H new ATOM 370 N TYR A 46 8.974 0.251 13.108 1.00 0.00 N ATOM 371 CA TYR A 46 7.545 0.521 13.071 1.00 0.00 C ATOM 372 C TYR A 46 6.717 -0.694 13.535 1.00 0.00 C ATOM 373 O TYR A 46 7.167 -1.840 13.481 1.00 0.00 O ATOM 374 CB TYR A 46 7.190 0.991 11.655 1.00 0.00 C ATOM 375 CG TYR A 46 5.716 0.959 11.318 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.843 1.964 11.778 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.207 -0.135 10.602 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.469 1.895 11.482 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.853 -0.165 10.258 1.00 0.00 C ATOM 380 CZ TYR A 46 2.975 0.811 10.739 1.00 0.00 C ATOM 381 OH TYR A 46 1.652 0.698 10.446 1.00 0.00 O ATOM 0 H TYR A 46 9.429 0.365 12.202 1.00 0.00 H new ATOM 0 HA TYR A 46 7.292 1.311 13.778 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.554 2.010 11.525 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.724 0.368 10.938 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.229 2.789 12.359 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.858 -0.949 10.318 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.799 2.670 11.824 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.481 -0.949 9.615 1.00 0.00 H new ATOM 0 HH TYR A 46 1.212 1.563 10.583 1.00 0.00 H new ATOM 382 N SER A 47 5.492 -0.432 14.005 1.00 0.00 N ATOM 383 CA SER A 47 4.577 -1.415 14.560 1.00 0.00 C ATOM 384 C SER A 47 4.043 -2.347 13.470 1.00 0.00 C ATOM 385 O SER A 47 2.917 -2.167 13.005 1.00 0.00 O ATOM 386 CB SER A 47 3.435 -0.655 15.241 1.00 0.00 C ATOM 387 OG SER A 47 2.891 0.272 14.321 1.00 0.00 O ATOM 0 H SER A 47 5.103 0.511 14.006 1.00 0.00 H new ATOM 0 HA SER A 47 5.095 -2.043 15.284 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.665 -1.351 15.575 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.802 -0.136 16.127 1.00 0.00 H new ATOM 0 HG SER A 47 2.616 -0.198 13.506 1.00 0.00 H new ATOM 388 N TYR A 48 4.858 -3.322 13.069 1.00 0.00 N ATOM 389 CA TYR A 48 4.552 -4.329 12.072 1.00 0.00 C ATOM 390 C TYR A 48 3.976 -5.603 12.700 1.00 0.00 C ATOM 391 O TYR A 48 3.657 -5.618 13.888 1.00 0.00 O ATOM 392 CB TYR A 48 5.871 -4.646 11.368 1.00 0.00 C ATOM 393 CG TYR A 48 6.176 -3.904 10.092 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.188 -3.534 9.152 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.515 -3.943 9.700 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.561 -3.122 7.861 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.846 -3.726 8.367 1.00 0.00 C ATOM 398 CZ TYR A 48 6.903 -3.219 7.461 1.00 0.00 C ATOM 399 OH TYR A 48 7.262 -3.018 6.158 1.00 0.00 O ATOM 0 H TYR A 48 5.796 -3.430 13.455 1.00 0.00 H new ATOM 0 HA TYR A 48 3.795 -3.956 11.382 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.682 -4.454 12.071 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.886 -5.713 11.148 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.144 -3.568 9.426 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.289 -4.140 10.427 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.819 -2.733 7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.845 -3.951 8.024 1.00 0.00 H new ATOM 0 HH TYR A 48 6.463 -3.044 5.591 1.00 0.00 H new ATOM 400 N THR A 49 3.868 -6.682 11.904 1.00 0.00 N ATOM 401 CA THR A 49 3.354 -7.965 12.354 1.00 0.00 C ATOM 402 C THR A 49 4.201 -9.141 11.859 1.00 0.00 C ATOM 403 O THR A 49 4.690 -9.157 10.725 1.00 0.00 O ATOM 404 CB THR A 49 1.892 -8.145 11.919 1.00 0.00 C ATOM 405 OG1 THR A 49 1.781 -8.373 10.533 1.00 0.00 O ATOM 406 CG2 THR A 49 1.043 -6.923 12.241 1.00 0.00 C ATOM 0 H THR A 49 4.141 -6.676 10.921 1.00 0.00 H new ATOM 0 HA THR A 49 3.408 -7.962 13.443 1.00 0.00 H new ATOM 0 HB THR A 49 1.532 -9.010 12.477 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.248 -7.659 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.017 -7.096 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.057 -6.743 13.316 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.446 -6.053 11.722 1.00 0.00 H new ATOM 407 N ASP A 50 4.295 -10.162 12.718 1.00 0.00 N ATOM 408 CA ASP A 50 4.714 -11.517 12.389 1.00 0.00 C ATOM 409 C ASP A 50 4.034 -11.984 11.104 1.00 0.00 C ATOM 410 O ASP A 50 4.676 -12.477 10.182 1.00 0.00 O ATOM 411 CB ASP A 50 4.293 -12.417 13.551 1.00 0.00 C ATOM 412 CG ASP A 50 4.593 -13.881 13.285 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.776 -14.268 13.223 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.645 -14.683 13.164 1.00 0.00 O ATOM 0 H ASP A 50 4.069 -10.054 13.707 1.00 0.00 H new ATOM 0 HA ASP A 50 5.792 -11.556 12.235 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.810 -12.102 14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.225 -12.295 13.734 1.00 0.00 H new ATOM 415 N ALA A 51 2.713 -11.808 11.063 1.00 0.00 N ATOM 416 CA ALA A 51 1.880 -12.164 9.927 1.00 0.00 C ATOM 417 C ALA A 51 2.385 -11.538 8.623 1.00 0.00 C ATOM 418 O ALA A 51 2.611 -12.266 7.656 1.00 0.00 O ATOM 419 CB ALA A 51 0.431 -11.768 10.205 1.00 0.00 C ATOM 0 H ALA A 51 2.186 -11.405 11.838 1.00 0.00 H new ATOM 0 HA ALA A 51 1.934 -13.244 9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.190 -12.037 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.074 -12.292 11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.373 -10.692 10.371 1.00 0.00 H new ATOM 420 N ASN A 52 2.559 -10.211 8.570 1.00 0.00 N ATOM 421 CA ASN A 52 3.033 -9.555 7.354 1.00 0.00 C ATOM 422 C ASN A 52 4.378 -10.157 6.932 1.00 0.00 C ATOM 423 O ASN A 52 4.534 -10.569 5.785 1.00 0.00 O ATOM 424 CB ASN A 52 3.068 -8.027 7.529 1.00 0.00 C ATOM 425 CG ASN A 52 3.395 -7.276 6.232 1.00 0.00 C ATOM 426 OD1 ASN A 52 3.993 -7.832 5.315 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.004 -6.008 6.126 1.00 0.00 N ATOM 0 H ASN A 52 2.379 -9.579 9.350 1.00 0.00 H new ATOM 0 HA ASN A 52 2.333 -9.739 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.102 -7.689 7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.810 -7.772 8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.200 -5.483 5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.508 -5.561 6.897 1.00 0.00 H new ATOM 428 N ILE A 53 5.319 -10.292 7.873 1.00 0.00 N ATOM 429 CA ILE A 53 6.606 -10.926 7.600 1.00 0.00 C ATOM 430 C ILE A 53 6.410 -12.331 7.007 1.00 0.00 C ATOM 431 O ILE A 53 6.951 -12.643 5.950 1.00 0.00 O ATOM 432 CB ILE A 53 7.482 -10.929 8.870 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.839 -9.480 9.253 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.761 -11.747 8.642 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.490 -9.374 10.635 1.00 0.00 C ATOM 0 H ILE A 53 5.209 -9.968 8.834 1.00 0.00 H new ATOM 0 HA ILE A 53 7.138 -10.345 6.847 1.00 0.00 H new ATOM 0 HB ILE A 53 6.923 -11.390 9.684 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.516 -9.068 8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.935 -8.871 9.235 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.366 -11.737 9.549 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.496 -12.775 8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.331 -11.311 7.821 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.719 -8.330 10.850 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.805 -9.758 11.390 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.410 -9.958 10.649 1.00 0.00 H new ATOM 436 N LYS A 54 5.640 -13.200 7.663 1.00 0.00 N ATOM 437 CA LYS A 54 5.407 -14.559 7.180 1.00 0.00 C ATOM 438 C LYS A 54 4.691 -14.574 5.829 1.00 0.00 C ATOM 439 O LYS A 54 4.891 -15.494 5.039 1.00 0.00 O ATOM 440 CB LYS A 54 4.640 -15.370 8.225 1.00 0.00 C ATOM 441 CG LYS A 54 5.567 -15.715 9.394 1.00 0.00 C ATOM 442 CD LYS A 54 4.783 -16.411 10.506 1.00 0.00 C ATOM 443 CE LYS A 54 5.748 -16.877 11.606 1.00 0.00 C ATOM 444 NZ LYS A 54 5.089 -16.912 12.923 1.00 0.00 N ATOM 0 H LYS A 54 5.164 -12.982 8.538 1.00 0.00 H new ATOM 0 HA LYS A 54 6.379 -15.027 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.783 -14.800 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.250 -16.283 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.373 -16.362 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.030 -14.807 9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.042 -15.729 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.238 -17.264 10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.128 -17.869 11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.607 -16.207 11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.733 -16.529 13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.222 -16.338 12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.845 -17.894 13.163 1.00 0.00 H new ATOM 445 N LYS A 55 3.893 -13.546 5.535 1.00 0.00 N ATOM 446 CA LYS A 55 3.280 -13.336 4.234 1.00 0.00 C ATOM 447 C LYS A 55 4.177 -12.412 3.403 1.00 0.00 C ATOM 448 O LYS A 55 3.680 -11.544 2.696 1.00 0.00 O ATOM 449 CB LYS A 55 1.863 -12.783 4.436 1.00 0.00 C ATOM 450 CG LYS A 55 0.969 -12.839 3.183 1.00 0.00 C ATOM 451 CD LYS A 55 0.470 -14.234 2.784 1.00 0.00 C ATOM 452 CE LYS A 55 -0.458 -14.805 3.866 1.00 0.00 C ATOM 453 NZ LYS A 55 -1.383 -15.818 3.325 1.00 0.00 N ATOM 0 H LYS A 55 3.653 -12.824 6.214 1.00 0.00 H new ATOM 0 HA LYS A 55 3.185 -14.270 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.379 -13.342 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.935 -11.748 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.104 -12.197 3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.523 -12.418 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.061 -14.178 1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.319 -14.901 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.142 -15.250 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.031 -13.994 4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.991 -16.177 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.974 -15.388 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.837 -16.605 2.919 1.00 0.00 H new ATOM 454 N ASN A 56 5.495 -12.618 3.491 1.00 0.00 N ATOM 455 CA ASN A 56 6.537 -11.964 2.705 1.00 0.00 C ATOM 456 C ASN A 56 6.171 -11.839 1.221 1.00 0.00 C ATOM 457 O ASN A 56 6.508 -12.709 0.415 1.00 0.00 O ATOM 458 CB ASN A 56 7.845 -12.752 2.842 1.00 0.00 C ATOM 459 CG ASN A 56 8.998 -12.002 2.195 1.00 0.00 C ATOM 460 OD1 ASN A 56 9.761 -11.338 2.885 1.00 0.00 O ATOM 461 ND2 ASN A 56 9.136 -12.090 0.877 1.00 0.00 N ATOM 0 H ASN A 56 5.883 -13.288 4.155 1.00 0.00 H new ATOM 0 HA ASN A 56 6.651 -10.953 3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.063 -12.923 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.735 -13.731 2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.896 -11.595 0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.482 -12.652 0.332 1.00 0.00 H new ATOM 462 N VAL A 57 5.523 -10.740 0.851 1.00 0.00 N ATOM 463 CA VAL A 57 5.016 -10.483 -0.484 1.00 0.00 C ATOM 464 C VAL A 57 5.922 -9.459 -1.165 1.00 0.00 C ATOM 465 O VAL A 57 6.165 -8.393 -0.618 1.00 0.00 O ATOM 466 CB VAL A 57 3.553 -10.030 -0.352 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.111 -9.072 -1.456 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.651 -11.269 -0.348 1.00 0.00 C ATOM 0 H VAL A 57 5.331 -9.977 1.500 1.00 0.00 H new ATOM 0 HA VAL A 57 5.026 -11.371 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 57 3.467 -9.478 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.069 -8.794 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.733 -8.177 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.215 -9.560 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.610 -10.961 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.785 -11.819 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.916 -11.910 0.493 1.00 0.00 H new ATOM 469 N LEU A 58 6.415 -9.781 -2.362 1.00 0.00 N ATOM 470 CA LEU A 58 7.346 -8.971 -3.150 1.00 0.00 C ATOM 471 C LEU A 58 6.849 -7.542 -3.423 1.00 0.00 C ATOM 472 O LEU A 58 7.660 -6.658 -3.686 1.00 0.00 O ATOM 473 CB LEU A 58 7.595 -9.728 -4.456 1.00 0.00 C ATOM 474 CG LEU A 58 8.663 -9.101 -5.368 1.00 0.00 C ATOM 475 CD1 LEU A 58 9.508 -10.213 -5.996 1.00 0.00 C ATOM 476 CD2 LEU A 58 8.023 -8.278 -6.494 1.00 0.00 C ATOM 0 H LEU A 58 6.165 -10.652 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 58 8.265 -8.834 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.894 -10.749 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.657 -9.792 -5.008 1.00 0.00 H new ATOM 0 HG LEU A 58 9.281 -8.441 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.266 -9.772 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.994 -10.790 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.866 -10.870 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.805 -7.849 -7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.386 -8.923 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.422 -7.477 -6.063 1.00 0.00 H new ATOM 477 N TRP A 59 5.526 -7.344 -3.420 1.00 0.00 N ATOM 478 CA TRP A 59 4.851 -6.113 -3.808 1.00 0.00 C ATOM 479 C TRP A 59 5.099 -5.777 -5.281 1.00 0.00 C ATOM 480 O TRP A 59 5.920 -4.921 -5.606 1.00 0.00 O ATOM 481 CB TRP A 59 5.139 -4.941 -2.850 1.00 0.00 C ATOM 482 CG TRP A 59 4.556 -5.029 -1.463 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.207 -4.721 -0.317 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.217 -5.448 -1.048 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.372 -4.917 0.765 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.164 -5.441 0.378 1.00 0.00 C ATOM 487 CE3 TRP A 59 2.040 -5.849 -1.720 1.00 0.00 C ATOM 488 CZ2 TRP A 59 2.049 -5.893 1.097 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.931 -6.337 -1.012 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.953 -6.402 0.389 1.00 0.00 C ATOM 0 H TRP A 59 4.873 -8.073 -3.133 1.00 0.00 H new ATOM 0 HA TRP A 59 3.780 -6.291 -3.710 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.220 -4.838 -2.757 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.771 -4.026 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.228 -4.374 -0.258 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.621 -4.700 1.730 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.993 -5.779 -2.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.035 -5.850 2.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.054 -6.665 -1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.125 -6.845 0.922 1.00 0.00 H new ATOM 491 N ASP A 60 4.337 -6.437 -6.161 1.00 0.00 N ATOM 492 CA ASP A 60 4.151 -6.064 -7.559 1.00 0.00 C ATOM 493 C ASP A 60 2.735 -5.491 -7.722 1.00 0.00 C ATOM 494 O ASP A 60 1.915 -5.609 -6.814 1.00 0.00 O ATOM 495 CB ASP A 60 4.356 -7.293 -8.460 1.00 0.00 C ATOM 496 CG ASP A 60 3.036 -7.986 -8.779 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.445 -8.576 -7.850 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.574 -7.809 -9.926 1.00 0.00 O ATOM 0 H ASP A 60 3.816 -7.276 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 60 4.881 -5.310 -7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.840 -6.987 -9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.027 -7.997 -7.968 1.00 0.00 H new ATOM 499 N GLU A 61 2.440 -4.905 -8.886 1.00 0.00 N ATOM 500 CA GLU A 61 1.128 -4.363 -9.226 1.00 0.00 C ATOM 501 C GLU A 61 0.012 -5.388 -9.017 1.00 0.00 C ATOM 502 O GLU A 61 -1.029 -5.065 -8.447 1.00 0.00 O ATOM 503 CB GLU A 61 1.149 -3.859 -10.678 1.00 0.00 C ATOM 504 CG GLU A 61 2.043 -2.636 -10.817 1.00 0.00 C ATOM 505 CD GLU A 61 2.323 -2.255 -12.262 1.00 0.00 C ATOM 506 OE1 GLU A 61 3.154 -2.945 -12.892 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.938 -1.147 -12.690 1.00 0.00 O ATOM 0 H GLU A 61 3.125 -4.793 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 61 0.915 -3.531 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.505 -4.651 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.136 -3.612 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.574 -1.792 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.989 -2.826 -10.309 1.00 0.00 H new ATOM 508 N ASN A 62 0.210 -6.613 -9.502 1.00 0.00 N ATOM 509 CA ASN A 62 -0.824 -7.631 -9.522 1.00 0.00 C ATOM 510 C ASN A 62 -1.207 -8.023 -8.096 1.00 0.00 C ATOM 511 O ASN A 62 -2.376 -7.968 -7.718 1.00 0.00 O ATOM 512 CB ASN A 62 -0.335 -8.829 -10.348 1.00 0.00 C ATOM 513 CG ASN A 62 -1.464 -9.621 -11.001 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.570 -9.121 -11.180 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.160 -10.842 -11.424 1.00 0.00 N ATOM 0 H ASN A 62 1.100 -6.923 -9.893 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.726 -7.243 -9.995 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.343 -8.473 -11.123 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.239 -9.494 -9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.858 -11.399 -11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.229 -11.223 -11.256 1.00 0.00 H new ATOM 516 N ASN A 63 -0.217 -8.380 -7.273 1.00 0.00 N ATOM 517 CA ASN A 63 -0.448 -8.707 -5.874 1.00 0.00 C ATOM 518 C ASN A 63 -0.993 -7.490 -5.127 1.00 0.00 C ATOM 519 O ASN A 63 -2.022 -7.591 -4.460 1.00 0.00 O ATOM 520 CB ASN A 63 0.856 -9.218 -5.262 1.00 0.00 C ATOM 521 CG ASN A 63 0.690 -9.722 -3.833 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.074 -9.084 -2.990 1.00 0.00 O ATOM 523 ND2 ASN A 63 1.274 -10.877 -3.525 1.00 0.00 N ATOM 0 H ASN A 63 0.759 -8.449 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.198 -9.493 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.250 -10.024 -5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.595 -8.417 -5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.212 -11.242 -2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.784 -11.397 -4.239 1.00 0.00 H new ATOM 524 N MET A 64 -0.325 -6.335 -5.261 1.00 0.00 N ATOM 525 CA MET A 64 -0.731 -5.095 -4.608 1.00 0.00 C ATOM 526 C MET A 64 -2.210 -4.819 -4.861 1.00 0.00 C ATOM 527 O MET A 64 -2.946 -4.513 -3.927 1.00 0.00 O ATOM 528 CB MET A 64 0.130 -3.927 -5.116 1.00 0.00 C ATOM 529 CG MET A 64 -0.164 -2.612 -4.383 1.00 0.00 C ATOM 530 SD MET A 64 0.313 -2.578 -2.641 1.00 0.00 S ATOM 531 CE MET A 64 2.118 -2.554 -2.779 1.00 0.00 C ATOM 0 H MET A 64 0.516 -6.241 -5.830 1.00 0.00 H new ATOM 0 HA MET A 64 -0.582 -5.198 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.184 -4.178 -4.995 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.044 -3.790 -6.183 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.352 -1.803 -4.900 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.232 -2.406 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.560 -2.622 -1.785 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.448 -3.400 -3.381 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.434 -1.625 -3.254 1.00 0.00 H new ATOM 532 N SER A 65 -2.639 -4.932 -6.123 1.00 0.00 N ATOM 533 CA SER A 65 -4.032 -4.776 -6.510 1.00 0.00 C ATOM 534 C SER A 65 -4.937 -5.568 -5.569 1.00 0.00 C ATOM 535 O SER A 65 -5.854 -5.003 -4.977 1.00 0.00 O ATOM 536 CB SER A 65 -4.215 -5.208 -7.975 1.00 0.00 C ATOM 537 OG SER A 65 -5.521 -4.957 -8.462 1.00 0.00 O ATOM 0 H SER A 65 -2.018 -5.136 -6.906 1.00 0.00 H new ATOM 0 HA SER A 65 -4.317 -3.727 -6.429 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.492 -4.680 -8.598 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.997 -6.272 -8.065 1.00 0.00 H new ATOM 0 HG SER A 65 -5.583 -5.248 -9.396 1.00 0.00 H new ATOM 538 N GLU A 66 -4.681 -6.869 -5.426 1.00 0.00 N ATOM 539 CA GLU A 66 -5.580 -7.746 -4.699 1.00 0.00 C ATOM 540 C GLU A 66 -5.457 -7.546 -3.191 1.00 0.00 C ATOM 541 O GLU A 66 -6.461 -7.452 -2.489 1.00 0.00 O ATOM 542 CB GLU A 66 -5.354 -9.200 -5.126 1.00 0.00 C ATOM 543 CG GLU A 66 -6.661 -10.008 -5.020 1.00 0.00 C ATOM 544 CD GLU A 66 -7.772 -9.452 -5.916 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.662 -9.629 -7.146 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.700 -8.819 -5.360 1.00 0.00 O ATOM 0 H GLU A 66 -3.856 -7.333 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.608 -7.487 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.984 -9.230 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.588 -9.654 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.465 -11.045 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.001 -10.008 -3.984 1.00 0.00 H new ATOM 547 N TYR A 67 -4.230 -7.412 -2.681 1.00 0.00 N ATOM 548 CA TYR A 67 -4.029 -6.963 -1.305 1.00 0.00 C ATOM 549 C TYR A 67 -4.947 -5.780 -1.015 1.00 0.00 C ATOM 550 O TYR A 67 -5.712 -5.782 -0.054 1.00 0.00 O ATOM 551 CB TYR A 67 -2.574 -6.550 -1.059 1.00 0.00 C ATOM 552 CG TYR A 67 -2.365 -5.880 0.292 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.365 -6.661 1.459 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.338 -4.475 0.400 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.338 -6.050 2.725 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.358 -3.863 1.668 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.356 -4.651 2.832 1.00 0.00 C ATOM 558 OH TYR A 67 -2.568 -4.085 4.056 1.00 0.00 O ATOM 0 H TYR A 67 -3.371 -7.606 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.265 -7.794 -0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.936 -7.432 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.257 -5.869 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.386 -7.738 1.384 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.302 -3.867 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.303 -6.658 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.375 -2.786 1.746 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.134 -3.291 3.956 1.00 0.00 H new ATOM 559 N LEU A 68 -4.880 -4.774 -1.881 1.00 0.00 N ATOM 560 CA LEU A 68 -5.581 -3.527 -1.690 1.00 0.00 C ATOM 561 C LEU A 68 -7.102 -3.684 -1.815 1.00 0.00 C ATOM 562 O LEU A 68 -7.835 -2.827 -1.314 1.00 0.00 O ATOM 563 CB LEU A 68 -4.986 -2.498 -2.652 1.00 0.00 C ATOM 564 CG LEU A 68 -5.341 -1.043 -2.337 1.00 0.00 C ATOM 565 CD1 LEU A 68 -4.834 -0.622 -0.951 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.679 -0.171 -3.409 1.00 0.00 C ATOM 0 H LEU A 68 -4.331 -4.810 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.440 -3.172 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.901 -2.602 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.323 -2.729 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.425 -0.926 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.106 0.417 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.286 -1.258 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.750 -0.726 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.909 0.877 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.599 -0.316 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.057 -0.453 -4.392 1.00 0.00 H new ATOM 567 N THR A 69 -7.607 -4.761 -2.438 1.00 0.00 N ATOM 568 CA THR A 69 -9.037 -5.026 -2.368 1.00 0.00 C ATOM 569 C THR A 69 -9.422 -5.525 -0.980 1.00 0.00 C ATOM 570 O THR A 69 -10.505 -5.199 -0.498 1.00 0.00 O ATOM 571 CB THR A 69 -9.562 -5.989 -3.446 1.00 0.00 C ATOM 572 OG1 THR A 69 -9.082 -7.297 -3.237 1.00 0.00 O ATOM 573 CG2 THR A 69 -9.259 -5.510 -4.862 1.00 0.00 C ATOM 0 H THR A 69 -7.063 -5.436 -2.975 1.00 0.00 H new ATOM 0 HA THR A 69 -9.519 -4.069 -2.568 1.00 0.00 H new ATOM 0 HB THR A 69 -10.648 -6.004 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.731 -7.655 -4.079 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.652 -6.228 -5.581 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.727 -4.539 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.181 -5.419 -4.993 1.00 0.00 H new ATOM 574 N ASN A 70 -8.573 -6.341 -0.343 1.00 0.00 N ATOM 575 CA ASN A 70 -8.958 -7.021 0.887 1.00 0.00 C ATOM 576 C ASN A 70 -7.753 -7.328 1.788 1.00 0.00 C ATOM 577 O ASN A 70 -7.320 -8.479 1.907 1.00 0.00 O ATOM 578 CB ASN A 70 -9.800 -8.244 0.541 1.00 0.00 C ATOM 579 CG ASN A 70 -10.737 -8.623 1.679 1.00 0.00 C ATOM 580 OD1 ASN A 70 -10.449 -8.379 2.847 1.00 0.00 O ATOM 581 ND2 ASN A 70 -11.888 -9.203 1.347 1.00 0.00 N ATOM 0 H ASN A 70 -7.624 -6.541 -0.660 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.576 -6.355 1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.382 -8.042 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.144 -9.085 0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.559 -9.457 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.099 -9.393 0.367 1.00 0.00 H new ATOM 582 N PRO A 71 -7.206 -6.298 2.448 1.00 0.00 N ATOM 583 CA PRO A 71 -5.875 -6.352 3.027 1.00 0.00 C ATOM 584 C PRO A 71 -5.801 -7.398 4.128 1.00 0.00 C ATOM 585 O PRO A 71 -4.941 -8.272 4.110 1.00 0.00 O ATOM 586 CB PRO A 71 -5.579 -4.932 3.520 1.00 0.00 C ATOM 587 CG PRO A 71 -6.938 -4.248 3.624 1.00 0.00 C ATOM 588 CD PRO A 71 -7.796 -4.978 2.591 1.00 0.00 C ATOM 0 HA PRO A 71 -5.121 -6.661 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.073 -4.949 4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.925 -4.404 2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.356 -4.339 4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.867 -3.183 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.832 -5.047 2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.800 -4.446 1.640 1.00 0.00 H new HETATM 589 N M3L A 72 -6.736 -7.333 5.074 1.00 0.00 N HETATM 590 CA M3L A 72 -6.769 -8.222 6.228 1.00 0.00 C HETATM 591 CB M3L A 72 -7.596 -7.559 7.336 1.00 0.00 C HETATM 592 CG M3L A 72 -7.425 -8.239 8.700 1.00 0.00 C HETATM 593 CD M3L A 72 -7.746 -7.370 9.921 1.00 0.00 C HETATM 594 CE M3L A 72 -9.256 -7.087 10.053 1.00 0.00 C HETATM 595 NZ M3L A 72 -9.646 -5.653 9.946 1.00 0.00 N HETATM 596 C M3L A 72 -7.207 -9.654 5.896 1.00 0.00 C HETATM 597 O M3L A 72 -7.172 -10.519 6.769 1.00 0.00 O HETATM 598 CM1 M3L A 72 -11.127 -5.577 9.995 1.00 0.00 C HETATM 599 CM2 M3L A 72 -9.093 -4.862 11.073 1.00 0.00 C HETATM 600 CM3 M3L A 72 -9.194 -5.075 8.661 1.00 0.00 C HETATM 0 HM33 M3L A 72 -8.109 -5.148 8.591 1.00 0.00 H new HETATM 0 HM32 M3L A 72 -9.648 -5.623 7.836 1.00 0.00 H new HETATM 0 HM31 M3L A 72 -9.491 -4.028 8.608 1.00 0.00 H new HETATM 0 HM23 M3L A 72 -9.473 -5.256 12.015 1.00 0.00 H new HETATM 0 HM22 M3L A 72 -8.005 -4.928 11.065 1.00 0.00 H new HETATM 0 HM21 M3L A 72 -9.394 -3.820 10.968 1.00 0.00 H new HETATM 0 HM13 M3L A 72 -11.548 -6.145 9.165 1.00 0.00 H new HETATM 0 HM12 M3L A 72 -11.482 -5.994 10.937 1.00 0.00 H new HETATM 0 HM11 M3L A 72 -11.441 -4.536 9.918 1.00 0.00 H new HETATM 0 HG3 M3L A 72 -8.063 -9.122 8.728 1.00 0.00 H new HETATM 0 HG2 M3L A 72 -6.396 -8.587 8.785 1.00 0.00 H new HETATM 0 HE3 M3L A 72 -9.783 -7.648 9.282 1.00 0.00 H new HETATM 0 HE2 M3L A 72 -9.598 -7.469 11.015 1.00 0.00 H new HETATM 0 HD3 M3L A 72 -7.391 -7.868 10.823 1.00 0.00 H new HETATM 0 HD2 M3L A 72 -7.206 -6.426 9.845 1.00 0.00 H new HETATM 0 HB3 M3L A 72 -7.307 -6.511 7.420 1.00 0.00 H new HETATM 0 HB2 M3L A 72 -8.649 -7.578 7.056 1.00 0.00 H new HETATM 0 HA M3L A 72 -5.751 -8.360 6.591 1.00 0.00 H new HETATM 0 H M3L A 72 -7.221 -6.436 5.107 1.00 0.00 H new ATOM 601 N LYS A 73 -7.594 -9.924 4.648 1.00 0.00 N ATOM 602 CA LYS A 73 -7.831 -11.273 4.163 1.00 0.00 C ATOM 603 C LYS A 73 -6.520 -11.778 3.577 1.00 0.00 C ATOM 604 O LYS A 73 -6.070 -12.882 3.874 1.00 0.00 O ATOM 605 CB LYS A 73 -8.935 -11.218 3.105 1.00 0.00 C ATOM 606 CG LYS A 73 -9.392 -12.593 2.619 1.00 0.00 C ATOM 607 CD LYS A 73 -10.602 -12.372 1.702 1.00 0.00 C ATOM 608 CE LYS A 73 -11.024 -13.640 0.955 1.00 0.00 C ATOM 609 NZ LYS A 73 -11.444 -14.728 1.862 1.00 0.00 N ATOM 0 H LYS A 73 -7.751 -9.202 3.944 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.154 -11.948 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.792 -10.684 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.579 -10.641 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.589 -13.097 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.660 -13.230 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.441 -12.011 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.365 -11.592 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.844 -13.401 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.194 -13.987 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.718 -15.560 1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.655 -14.979 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.254 -14.412 2.432 1.00 0.00 H new ATOM 610 N TYR A 74 -5.922 -10.945 2.727 1.00 0.00 N ATOM 611 CA TYR A 74 -4.678 -11.241 2.042 1.00 0.00 C ATOM 612 C TYR A 74 -3.550 -11.498 3.051 1.00 0.00 C ATOM 613 O TYR A 74 -2.823 -12.491 2.948 1.00 0.00 O ATOM 614 CB TYR A 74 -4.374 -10.071 1.100 1.00 0.00 C ATOM 615 CG TYR A 74 -3.558 -10.466 -0.106 1.00 0.00 C ATOM 616 CD1 TYR A 74 -2.176 -10.686 0.017 1.00 0.00 C ATOM 617 CD2 TYR A 74 -4.213 -10.760 -1.317 1.00 0.00 C ATOM 618 CE1 TYR A 74 -1.458 -11.237 -1.056 1.00 0.00 C ATOM 619 CE2 TYR A 74 -3.494 -11.320 -2.384 1.00 0.00 C ATOM 620 CZ TYR A 74 -2.116 -11.545 -2.262 1.00 0.00 C ATOM 621 OH TYR A 74 -1.456 -12.155 -3.286 1.00 0.00 O ATOM 0 H TYR A 74 -6.302 -10.027 2.495 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.764 -12.155 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.313 -9.631 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.840 -9.299 1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.667 -10.432 0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.268 -10.555 -1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.399 -11.425 -0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.003 -11.578 -3.301 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.071 -12.289 -4.037 1.00 0.00 H new ATOM 622 N ILE A 75 -3.426 -10.606 4.039 1.00 0.00 N ATOM 623 CA ILE A 75 -2.485 -10.699 5.150 1.00 0.00 C ATOM 624 C ILE A 75 -3.314 -10.868 6.430 1.00 0.00 C ATOM 625 O ILE A 75 -3.836 -9.880 6.942 1.00 0.00 O ATOM 626 CB ILE A 75 -1.572 -9.450 5.208 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.821 -9.277 3.875 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.587 -9.570 6.387 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.310 -8.245 3.905 1.00 0.00 C ATOM 0 H ILE A 75 -4.004 -9.767 4.085 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.817 -11.552 5.026 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.188 -8.565 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.407 -10.241 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.537 -8.989 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.051 -8.687 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.145 -9.649 7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.030 -10.459 6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.781 -8.192 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.096 -7.268 4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.052 -8.540 4.647 1.00 0.00 H new ATOM 630 N PRO A 76 -3.465 -12.089 6.970 1.00 0.00 N ATOM 631 CA PRO A 76 -4.303 -12.342 8.134 1.00 0.00 C ATOM 632 C PRO A 76 -3.582 -11.894 9.412 1.00 0.00 C ATOM 633 O PRO A 76 -3.197 -12.711 10.244 1.00 0.00 O ATOM 634 CB PRO A 76 -4.585 -13.846 8.094 1.00 0.00 C ATOM 635 CG PRO A 76 -3.307 -14.413 7.476 1.00 0.00 C ATOM 636 CD PRO A 76 -2.905 -13.333 6.469 1.00 0.00 C ATOM 0 HA PRO A 76 -5.238 -11.781 8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.767 -14.250 9.090 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.463 -14.077 7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.533 -14.574 8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.485 -15.372 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.821 -13.265 6.382 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.291 -13.563 5.476 1.00 0.00 H new ATOM 637 N GLY A 77 -3.396 -10.582 9.561 1.00 0.00 N ATOM 638 CA GLY A 77 -2.695 -9.981 10.682 1.00 0.00 C ATOM 639 C GLY A 77 -2.117 -8.644 10.240 1.00 0.00 C ATOM 640 O GLY A 77 -0.922 -8.526 9.981 1.00 0.00 O ATOM 0 H GLY A 77 -3.739 -9.897 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.377 -9.839 11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.899 -10.641 11.027 1.00 0.00 H new ATOM 641 N THR A 78 -2.988 -7.641 10.140 1.00 0.00 N ATOM 642 CA THR A 78 -2.648 -6.280 9.770 1.00 0.00 C ATOM 643 C THR A 78 -3.518 -5.363 10.620 1.00 0.00 C ATOM 644 O THR A 78 -4.686 -5.670 10.867 1.00 0.00 O ATOM 645 CB THR A 78 -2.865 -6.045 8.263 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.907 -4.664 7.976 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.188 -6.605 7.754 1.00 0.00 C ATOM 0 H THR A 78 -3.984 -7.765 10.322 1.00 0.00 H new ATOM 0 HA THR A 78 -1.593 -6.075 9.954 1.00 0.00 H new ATOM 0 HB THR A 78 -2.031 -6.551 7.777 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.883 -4.531 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.280 -6.407 6.686 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.219 -7.681 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.013 -6.128 8.284 1.00 0.00 H new ATOM 648 N LYS A 79 -2.952 -4.236 11.059 1.00 0.00 N ATOM 649 CA LYS A 79 -3.702 -3.191 11.741 1.00 0.00 C ATOM 650 C LYS A 79 -4.562 -2.385 10.752 1.00 0.00 C ATOM 651 O LYS A 79 -5.350 -1.538 11.175 1.00 0.00 O ATOM 652 CB LYS A 79 -2.711 -2.323 12.535 1.00 0.00 C ATOM 653 CG LYS A 79 -3.381 -1.107 13.182 1.00 0.00 C ATOM 654 CD LYS A 79 -2.496 -0.503 14.281 1.00 0.00 C ATOM 655 CE LYS A 79 -2.993 0.877 14.736 1.00 0.00 C ATOM 656 NZ LYS A 79 -4.398 0.858 15.198 1.00 0.00 N ATOM 0 H LYS A 79 -1.960 -4.027 10.949 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.411 -3.628 12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.242 -2.930 13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.916 -1.985 11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.585 -0.354 12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.341 -1.401 13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.471 -1.178 15.136 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.473 -0.416 13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.355 1.240 15.542 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.896 1.583 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.643 1.784 15.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.025 0.654 14.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.515 0.122 15.923 1.00 0.00 H new ATOM 657 N ALA A 80 -4.413 -2.613 9.444 1.00 0.00 N ATOM 658 CA ALA A 80 -5.058 -1.821 8.408 1.00 0.00 C ATOM 659 C ALA A 80 -6.586 -1.954 8.410 1.00 0.00 C ATOM 660 O ALA A 80 -7.171 -2.658 7.586 1.00 0.00 O ATOM 661 CB ALA A 80 -4.472 -2.192 7.048 1.00 0.00 C ATOM 0 H ALA A 80 -3.831 -3.365 9.076 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.855 -0.771 8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.954 -1.600 6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.401 -1.990 7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.642 -3.251 6.855 1.00 0.00 H new ATOM 662 N ALA A 81 -7.254 -1.214 9.297 1.00 0.00 N ATOM 663 CA ALA A 81 -8.690 -0.967 9.245 1.00 0.00 C ATOM 664 C ALA A 81 -9.017 -0.030 8.073 1.00 0.00 C ATOM 665 O ALA A 81 -9.526 1.070 8.273 1.00 0.00 O ATOM 666 CB ALA A 81 -9.156 -0.399 10.590 1.00 0.00 C ATOM 0 H ALA A 81 -6.798 -0.761 10.089 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.228 -1.899 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.229 -0.213 10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.938 -1.115 11.382 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.633 0.536 10.791 1.00 0.00 H new ATOM 667 N PHE A 82 -8.705 -0.470 6.852 1.00 0.00 N ATOM 668 CA PHE A 82 -8.911 0.266 5.615 1.00 0.00 C ATOM 669 C PHE A 82 -10.085 -0.359 4.857 1.00 0.00 C ATOM 670 O PHE A 82 -10.164 -1.580 4.717 1.00 0.00 O ATOM 671 CB PHE A 82 -7.616 0.248 4.787 1.00 0.00 C ATOM 672 CG PHE A 82 -7.783 0.643 3.329 1.00 0.00 C ATOM 673 CD1 PHE A 82 -8.519 1.790 2.976 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.387 -0.255 2.323 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.026 1.921 1.671 1.00 0.00 C ATOM 676 CE2 PHE A 82 -7.888 -0.124 1.021 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.769 0.922 0.715 1.00 0.00 C ATOM 0 H PHE A 82 -8.285 -1.387 6.698 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.155 1.308 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.896 0.922 5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.188 -0.754 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.694 2.567 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.693 -1.050 2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.612 2.788 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.596 -0.827 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.249 0.961 -0.252 1.00 0.00 H new ATOM 678 N GLY A 83 -11.000 0.484 4.367 1.00 0.00 N ATOM 679 CA GLY A 83 -12.116 0.074 3.532 1.00 0.00 C ATOM 680 C GLY A 83 -11.629 -0.364 2.152 1.00 0.00 C ATOM 681 O GLY A 83 -11.755 0.398 1.191 1.00 0.00 O ATOM 0 H GLY A 83 -10.978 1.488 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.652 -0.746 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.821 0.899 3.429 1.00 0.00 H new ATOM 682 N GLY A 84 -11.089 -1.589 2.102 1.00 0.00 N ATOM 683 CA GLY A 84 -10.685 -2.363 0.933 1.00 0.00 C ATOM 684 C GLY A 84 -11.270 -1.866 -0.392 1.00 0.00 C ATOM 685 O GLY A 84 -12.488 -1.739 -0.529 1.00 0.00 O ATOM 0 H GLY A 84 -10.910 -2.107 2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.597 -2.350 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.983 -3.401 1.080 1.00 0.00 H new ATOM 686 N LEU A 85 -10.408 -1.577 -1.372 1.00 0.00 N ATOM 687 CA LEU A 85 -10.858 -1.107 -2.676 1.00 0.00 C ATOM 688 C LEU A 85 -11.632 -2.209 -3.414 1.00 0.00 C ATOM 689 O LEU A 85 -11.689 -3.360 -2.990 1.00 0.00 O ATOM 690 CB LEU A 85 -9.666 -0.587 -3.498 1.00 0.00 C ATOM 691 CG LEU A 85 -8.971 0.675 -2.966 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.916 1.169 -3.959 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.946 1.828 -2.695 1.00 0.00 C ATOM 0 H LEU A 85 -9.396 -1.662 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.546 -0.274 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.924 -1.383 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.012 -0.386 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.511 0.384 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.435 2.064 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.167 0.392 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.393 1.404 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.394 2.691 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.457 2.097 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.680 1.517 -1.952 1.00 0.00 H new ATOM 694 N LYS A 86 -12.262 -1.860 -4.538 1.00 0.00 N ATOM 695 CA LYS A 86 -13.069 -2.812 -5.290 1.00 0.00 C ATOM 696 C LYS A 86 -13.169 -2.337 -6.737 1.00 0.00 C ATOM 697 O LYS A 86 -12.713 -3.048 -7.634 1.00 0.00 O ATOM 698 CB LYS A 86 -14.442 -2.988 -4.602 1.00 0.00 C ATOM 699 CG LYS A 86 -14.972 -4.428 -4.638 1.00 0.00 C ATOM 700 CD LYS A 86 -15.459 -4.849 -6.032 1.00 0.00 C ATOM 701 CE LYS A 86 -16.215 -6.189 -6.003 1.00 0.00 C ATOM 702 NZ LYS A 86 -15.352 -7.332 -5.636 1.00 0.00 N ATOM 0 H LYS A 86 -12.226 -0.925 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.605 -3.798 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.362 -2.666 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.167 -2.332 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.185 -5.108 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.792 -4.526 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.111 -4.075 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.605 -4.930 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.038 -6.120 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.655 -6.373 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.916 -8.206 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.580 -7.420 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.952 -7.175 -4.689 1.00 0.00 H new ATOM 703 N LYS A 87 -13.708 -1.120 -6.910 1.00 0.00 N ATOM 704 CA LYS A 87 -14.121 -0.441 -8.139 1.00 0.00 C ATOM 705 C LYS A 87 -13.277 -0.689 -9.396 1.00 0.00 C ATOM 706 O LYS A 87 -13.802 -0.541 -10.498 1.00 0.00 O ATOM 707 CB LYS A 87 -14.220 1.065 -7.873 1.00 0.00 C ATOM 708 CG LYS A 87 -15.445 1.459 -7.032 1.00 0.00 C ATOM 709 CD LYS A 87 -15.604 2.983 -6.867 1.00 0.00 C ATOM 710 CE LYS A 87 -16.264 3.721 -8.047 1.00 0.00 C ATOM 711 NZ LYS A 87 -15.396 3.826 -9.237 1.00 0.00 N ATOM 0 H LYS A 87 -13.882 -0.526 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.084 -0.889 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.316 1.396 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.258 1.593 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.343 1.055 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.364 1.000 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.193 3.173 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.618 3.416 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.182 3.202 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.548 4.723 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.482 4.778 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.408 3.655 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.686 3.119 -9.942 1.00 0.00 H new ATOM 712 N GLU A 88 -11.983 -0.985 -9.255 1.00 0.00 N ATOM 713 CA GLU A 88 -11.083 -1.506 -10.279 1.00 0.00 C ATOM 714 C GLU A 88 -10.507 -0.349 -11.087 1.00 0.00 C ATOM 715 O GLU A 88 -9.293 -0.207 -11.191 1.00 0.00 O ATOM 716 CB GLU A 88 -11.756 -2.628 -11.099 1.00 0.00 C ATOM 717 CG GLU A 88 -10.894 -3.201 -12.234 1.00 0.00 C ATOM 718 CD GLU A 88 -11.246 -2.582 -13.580 1.00 0.00 C ATOM 719 OE1 GLU A 88 -12.418 -2.709 -13.995 1.00 0.00 O ATOM 720 OE2 GLU A 88 -10.350 -1.968 -14.194 1.00 0.00 O ATOM 0 H GLU A 88 -11.507 -0.858 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.226 -2.001 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.029 -3.439 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.683 -2.242 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.841 -3.022 -12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.030 -4.281 -12.284 1.00 0.00 H new ATOM 721 N LYS A 89 -11.389 0.526 -11.562 1.00 0.00 N ATOM 722 CA LYS A 89 -11.027 1.715 -12.326 1.00 0.00 C ATOM 723 C LYS A 89 -10.062 2.564 -11.496 1.00 0.00 C ATOM 724 O LYS A 89 -8.889 2.722 -11.832 1.00 0.00 O ATOM 725 CB LYS A 89 -12.276 2.498 -12.737 1.00 0.00 C ATOM 726 CG LYS A 89 -12.979 1.947 -13.989 1.00 0.00 C ATOM 727 CD LYS A 89 -13.424 0.488 -13.833 1.00 0.00 C ATOM 728 CE LYS A 89 -14.167 -0.012 -15.078 1.00 0.00 C ATOM 729 NZ LYS A 89 -14.497 -1.447 -14.961 1.00 0.00 N ATOM 0 H LYS A 89 -12.395 0.426 -11.424 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.525 1.424 -13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.982 2.497 -11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.998 3.536 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.849 2.565 -14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.305 2.026 -14.842 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.553 -0.141 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.071 0.396 -12.961 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.082 0.565 -15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.552 0.152 -15.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.999 -1.759 -15.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.621 -1.997 -14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.104 -1.597 -14.130 1.00 0.00 H new ATOM 730 N ASP A 90 -10.581 3.049 -10.371 1.00 0.00 N ATOM 731 CA ASP A 90 -9.891 3.799 -9.341 1.00 0.00 C ATOM 732 C ASP A 90 -8.555 3.157 -9.019 1.00 0.00 C ATOM 733 O ASP A 90 -7.509 3.798 -9.031 1.00 0.00 O ATOM 734 CB ASP A 90 -10.765 3.781 -8.073 1.00 0.00 C ATOM 735 CG ASP A 90 -12.217 4.197 -8.269 1.00 0.00 C ATOM 736 OD1 ASP A 90 -12.848 3.677 -9.220 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.752 4.936 -7.419 1.00 0.00 O ATOM 0 H ASP A 90 -11.567 2.915 -10.145 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.717 4.817 -9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.747 2.774 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.313 4.441 -7.333 1.00 0.00 H new ATOM 738 N ARG A 91 -8.631 1.869 -8.706 1.00 0.00 N ATOM 739 CA ARG A 91 -7.492 1.043 -8.367 1.00 0.00 C ATOM 740 C ARG A 91 -6.426 1.139 -9.460 1.00 0.00 C ATOM 741 O ARG A 91 -5.271 1.374 -9.138 1.00 0.00 O ATOM 742 CB ARG A 91 -7.957 -0.395 -8.141 1.00 0.00 C ATOM 743 CG ARG A 91 -7.155 -1.134 -7.070 1.00 0.00 C ATOM 744 CD ARG A 91 -7.303 -2.646 -7.252 1.00 0.00 C ATOM 745 NE ARG A 91 -8.709 -3.072 -7.379 1.00 0.00 N ATOM 746 CZ ARG A 91 -9.099 -4.268 -7.851 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.185 -5.213 -8.110 1.00 0.00 N ATOM 748 NH2 ARG A 91 -10.401 -4.519 -8.063 1.00 0.00 N ATOM 0 H ARG A 91 -9.515 1.361 -8.682 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.037 1.398 -7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.009 -0.388 -7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.885 -0.943 -9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.104 -0.853 -7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.503 -0.843 -6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.753 -2.956 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.849 -3.156 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.434 -2.415 -7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.196 -5.024 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.478 -6.122 -8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.098 -3.801 -7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.693 -5.428 -8.421 1.00 0.00 H new ATOM 749 N ASN A 92 -6.787 0.987 -10.741 1.00 0.00 N ATOM 750 CA ASN A 92 -5.814 1.098 -11.828 1.00 0.00 C ATOM 751 C ASN A 92 -5.060 2.424 -11.714 1.00 0.00 C ATOM 752 O ASN A 92 -3.824 2.434 -11.726 1.00 0.00 O ATOM 753 CB ASN A 92 -6.448 1.008 -13.226 1.00 0.00 C ATOM 754 CG ASN A 92 -7.276 -0.249 -13.479 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.858 -1.370 -13.209 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.468 -0.065 -14.038 1.00 0.00 N ATOM 0 H ASN A 92 -7.740 0.788 -11.046 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.137 0.250 -11.722 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.084 1.880 -13.377 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.655 1.059 -13.972 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.060 -0.867 -14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.791 0.879 -14.252 1.00 0.00 H new ATOM 757 N ASP A 93 -5.798 3.539 -11.594 1.00 0.00 N ATOM 758 CA ASP A 93 -5.164 4.852 -11.540 1.00 0.00 C ATOM 759 C ASP A 93 -4.274 4.942 -10.300 1.00 0.00 C ATOM 760 O ASP A 93 -3.089 5.250 -10.392 1.00 0.00 O ATOM 761 CB ASP A 93 -6.213 5.968 -11.579 1.00 0.00 C ATOM 762 CG ASP A 93 -6.700 6.322 -12.979 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.836 6.506 -13.864 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.933 6.459 -13.133 1.00 0.00 O ATOM 0 H ASP A 93 -6.816 3.552 -11.534 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.533 4.984 -12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.069 5.668 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.794 6.861 -11.116 1.00 0.00 H new ATOM 765 N LEU A 94 -4.846 4.655 -9.131 1.00 0.00 N ATOM 766 CA LEU A 94 -4.155 4.678 -7.850 1.00 0.00 C ATOM 767 C LEU A 94 -2.862 3.859 -7.907 1.00 0.00 C ATOM 768 O LEU A 94 -1.790 4.407 -7.666 1.00 0.00 O ATOM 769 CB LEU A 94 -5.124 4.229 -6.748 1.00 0.00 C ATOM 770 CG LEU A 94 -4.507 4.054 -5.351 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.510 5.145 -4.955 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.596 4.116 -4.289 1.00 0.00 C ATOM 0 H LEU A 94 -5.829 4.394 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.840 5.693 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.931 4.958 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.574 3.282 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.993 3.094 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.125 4.941 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.684 5.158 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.009 6.114 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.150 3.991 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.099 5.081 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.320 3.320 -4.463 1.00 0.00 H new ATOM 773 N ILE A 95 -2.932 2.569 -8.242 1.00 0.00 N ATOM 774 CA ILE A 95 -1.754 1.720 -8.350 1.00 0.00 C ATOM 775 C ILE A 95 -0.716 2.384 -9.255 1.00 0.00 C ATOM 776 O ILE A 95 0.446 2.488 -8.870 1.00 0.00 O ATOM 777 CB ILE A 95 -2.123 0.314 -8.864 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.105 -0.441 -7.938 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.819 -0.491 -9.010 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.766 -1.607 -8.679 1.00 0.00 C ATOM 0 H ILE A 95 -3.808 2.088 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.323 1.597 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.638 0.427 -9.818 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.572 -0.815 -7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.870 0.245 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.049 -1.493 -9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.160 0.010 -9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.324 -0.561 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.452 -2.123 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.317 -1.226 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.999 -2.303 -9.019 1.00 0.00 H new ATOM 781 N THR A 96 -1.130 2.840 -10.441 1.00 0.00 N ATOM 782 CA THR A 96 -0.213 3.488 -11.370 1.00 0.00 C ATOM 783 C THR A 96 0.479 4.681 -10.706 1.00 0.00 C ATOM 784 O THR A 96 1.709 4.768 -10.716 1.00 0.00 O ATOM 785 CB THR A 96 -0.960 3.892 -12.646 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.548 2.739 -13.214 1.00 0.00 O ATOM 787 CG2 THR A 96 -0.006 4.535 -13.656 1.00 0.00 C ATOM 0 H THR A 96 -2.091 2.771 -10.775 1.00 0.00 H new ATOM 0 HA THR A 96 0.570 2.783 -11.651 1.00 0.00 H new ATOM 0 HB THR A 96 -1.729 4.622 -12.392 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.385 2.534 -12.746 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.559 4.813 -14.553 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.443 5.425 -13.216 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.778 3.825 -13.919 1.00 0.00 H new ATOM 788 N TYR A 97 -0.298 5.596 -10.119 1.00 0.00 N ATOM 789 CA TYR A 97 0.261 6.731 -9.405 1.00 0.00 C ATOM 790 C TYR A 97 1.254 6.253 -8.358 1.00 0.00 C ATOM 791 O TYR A 97 2.351 6.800 -8.275 1.00 0.00 O ATOM 792 CB TYR A 97 -0.831 7.569 -8.732 1.00 0.00 C ATOM 793 CG TYR A 97 -0.300 8.559 -7.703 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.302 9.764 -8.110 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.285 8.207 -6.340 1.00 0.00 C ATOM 796 CE1 TYR A 97 0.779 10.678 -7.149 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.285 9.076 -5.392 1.00 0.00 C ATOM 798 CZ TYR A 97 0.764 10.335 -5.788 1.00 0.00 C ATOM 799 OH TYR A 97 1.158 11.240 -4.838 1.00 0.00 O ATOM 0 H TYR A 97 -1.318 5.566 -10.128 1.00 0.00 H new ATOM 0 HA TYR A 97 0.770 7.360 -10.135 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.381 8.116 -9.498 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.541 6.900 -8.246 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.399 9.989 -9.162 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.712 7.268 -6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.156 11.641 -7.460 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.354 8.774 -4.357 1.00 0.00 H new ATOM 0 HH TYR A 97 1.083 10.835 -3.949 1.00 0.00 H new ATOM 800 N LEU A 98 0.864 5.263 -7.548 1.00 0.00 N ATOM 801 CA LEU A 98 1.705 4.777 -6.471 1.00 0.00 C ATOM 802 C LEU A 98 3.033 4.340 -7.063 1.00 0.00 C ATOM 803 O LEU A 98 4.074 4.873 -6.709 1.00 0.00 O ATOM 804 CB LEU A 98 1.034 3.622 -5.706 1.00 0.00 C ATOM 805 CG LEU A 98 1.108 3.823 -4.180 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.297 4.090 -3.663 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.646 2.616 -3.417 1.00 0.00 C ATOM 0 H LEU A 98 -0.035 4.787 -7.626 1.00 0.00 H new ATOM 0 HA LEU A 98 1.865 5.577 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.009 3.542 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.517 2.682 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 98 1.796 4.652 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.266 4.235 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.695 4.986 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.938 3.240 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.666 2.839 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.001 1.756 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.656 2.390 -3.759 1.00 0.00 H new ATOM 808 N LYS A 99 2.971 3.414 -8.017 1.00 0.00 N ATOM 809 CA LYS A 99 4.123 2.877 -8.698 1.00 0.00 C ATOM 810 C LYS A 99 5.032 3.973 -9.251 1.00 0.00 C ATOM 811 O LYS A 99 6.245 3.844 -9.149 1.00 0.00 O ATOM 812 CB LYS A 99 3.642 1.889 -9.762 1.00 0.00 C ATOM 813 CG LYS A 99 4.840 1.298 -10.513 1.00 0.00 C ATOM 814 CD LYS A 99 4.521 -0.137 -10.937 1.00 0.00 C ATOM 815 CE LYS A 99 5.348 -0.596 -12.151 1.00 0.00 C ATOM 816 NZ LYS A 99 4.521 -0.715 -13.371 1.00 0.00 N ATOM 0 H LYS A 99 2.090 3.013 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 99 4.751 2.339 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.067 1.090 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.976 2.393 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.068 1.905 -11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.725 1.312 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.709 -0.809 -10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.460 -0.214 -11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.156 0.114 -12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.811 -1.558 -11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.345 -1.720 -13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.614 -0.227 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.022 -0.282 -14.173 1.00 0.00 H new ATOM 817 N LYS A 100 4.478 5.042 -9.824 1.00 0.00 N ATOM 818 CA LYS A 100 5.283 6.143 -10.328 1.00 0.00 C ATOM 819 C LYS A 100 5.906 6.910 -9.150 1.00 0.00 C ATOM 820 O LYS A 100 7.084 7.255 -9.162 1.00 0.00 O ATOM 821 CB LYS A 100 4.384 7.028 -11.206 1.00 0.00 C ATOM 822 CG LYS A 100 4.953 7.341 -12.601 1.00 0.00 C ATOM 823 CD LYS A 100 5.951 8.511 -12.653 1.00 0.00 C ATOM 824 CE LYS A 100 7.427 8.140 -12.433 1.00 0.00 C ATOM 825 NZ LYS A 100 7.954 7.207 -13.447 1.00 0.00 N ATOM 0 H LYS A 100 3.473 5.164 -9.948 1.00 0.00 H new ATOM 0 HA LYS A 100 6.111 5.785 -10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.418 6.536 -11.325 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.201 7.967 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.445 6.447 -12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.124 7.561 -13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.859 9.000 -13.623 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.663 9.243 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.028 9.050 -12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.538 7.692 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.986 7.130 -13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.522 6.270 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.726 7.562 -14.397 1.00 0.00 H new ATOM 826 N ALA A 101 5.105 7.195 -8.125 1.00 0.00 N ATOM 827 CA ALA A 101 5.520 7.952 -6.952 1.00 0.00 C ATOM 828 C ALA A 101 6.622 7.242 -6.156 1.00 0.00 C ATOM 829 O ALA A 101 7.505 7.899 -5.607 1.00 0.00 O ATOM 830 CB ALA A 101 4.296 8.236 -6.078 1.00 0.00 C ATOM 0 H ALA A 101 4.130 6.899 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 101 5.953 8.894 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.601 8.803 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.568 8.814 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.846 7.294 -5.765 1.00 0.00 H new ATOM 831 N SER A 102 6.554 5.913 -6.078 1.00 0.00 N ATOM 832 CA SER A 102 7.491 5.061 -5.361 1.00 0.00 C ATOM 833 C SER A 102 8.260 4.155 -6.329 1.00 0.00 C ATOM 834 O SER A 102 8.537 3.000 -6.002 1.00 0.00 O ATOM 835 CB SER A 102 6.723 4.289 -4.279 1.00 0.00 C ATOM 836 OG SER A 102 5.598 3.592 -4.769 1.00 0.00 O ATOM 0 H SER A 102 5.811 5.382 -6.533 1.00 0.00 H new ATOM 0 HA SER A 102 8.252 5.663 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.399 3.580 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.399 4.988 -3.508 1.00 0.00 H new ATOM 0 HG SER A 102 5.062 4.190 -5.331 1.00 0.00 H new ATOM 837 N GLU A 103 8.609 4.706 -7.494 1.00 0.00 N ATOM 838 CA GLU A 103 9.444 4.070 -8.505 1.00 0.00 C ATOM 839 C GLU A 103 10.899 4.079 -8.025 1.00 0.00 C ATOM 840 O GLU A 103 11.300 5.113 -7.442 1.00 0.00 O ATOM 841 CB GLU A 103 9.269 4.845 -9.823 1.00 0.00 C ATOM 842 CG GLU A 103 9.629 4.072 -11.094 1.00 0.00 C ATOM 843 CD GLU A 103 9.198 4.872 -12.313 1.00 0.00 C ATOM 844 OE1 GLU A 103 9.961 5.761 -12.756 1.00 0.00 O ATOM 845 OE2 GLU A 103 8.031 4.731 -12.747 1.00 0.00 O ATOM 846 OXT GLU A 103 11.590 3.058 -8.241 1.00 0.00 O ATOM 0 H GLU A 103 8.305 5.641 -7.765 1.00 0.00 H new ATOM 0 HA GLU A 103 9.155 3.032 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.231 5.170 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.883 5.745 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.703 3.887 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.138 3.099 -11.092 1.00 0.00 H new TER 847 GLU A 103 HETATM 848 C CYN A 105 -3.648 -0.593 3.873 1.00 0.00 C HETATM 849 N CYN A 105 -4.432 -1.566 3.715 1.00 0.00 N HETATM 850 FE HEM A 104 -2.454 0.822 4.029 1.00 0.00 FE HETATM 851 CHA HEM A 104 -0.122 -1.487 5.216 1.00 0.00 C HETATM 852 CHB HEM A 104 -1.287 0.378 0.809 1.00 0.00 C HETATM 853 CHC HEM A 104 -4.976 2.905 2.898 1.00 0.00 C HETATM 854 CHD HEM A 104 -3.369 1.539 7.313 1.00 0.00 C HETATM 855 NA HEM A 104 -1.009 -0.401 3.159 1.00 0.00 N HETATM 856 C1A HEM A 104 -0.193 -1.266 3.843 1.00 0.00 C HETATM 857 C2A HEM A 104 0.680 -1.894 2.885 1.00 0.00 C HETATM 858 C3A HEM A 104 0.407 -1.326 1.662 1.00 0.00 C HETATM 859 C4A HEM A 104 -0.695 -0.396 1.830 1.00 0.00 C HETATM 860 CMA HEM A 104 1.169 -1.635 0.404 1.00 0.00 C HETATM 861 CAA HEM A 104 1.737 -2.951 3.168 1.00 0.00 C HETATM 862 CBA HEM A 104 3.037 -2.410 3.784 1.00 0.00 C HETATM 863 CGA HEM A 104 4.090 -3.489 4.054 1.00 0.00 C HETATM 864 O1A HEM A 104 5.181 -3.109 4.529 1.00 0.00 O HETATM 865 O2A HEM A 104 3.808 -4.681 3.803 1.00 0.00 O HETATM 866 NB HEM A 104 -3.034 1.519 2.182 1.00 0.00 N HETATM 867 C1B HEM A 104 -2.381 1.248 1.013 1.00 0.00 C HETATM 868 C2B HEM A 104 -3.023 2.038 -0.019 1.00 0.00 C HETATM 869 C3B HEM A 104 -4.064 2.734 0.568 1.00 0.00 C HETATM 870 C4B HEM A 104 -4.073 2.382 1.968 1.00 0.00 C HETATM 871 CMB HEM A 104 -2.599 2.115 -1.467 1.00 0.00 C HETATM 872 CAB HEM A 104 -5.024 3.705 -0.103 1.00 0.00 C HETATM 873 CBB HEM A 104 -6.108 3.015 -0.921 1.00 0.00 C HETATM 874 NC HEM A 104 -3.959 1.969 4.944 1.00 0.00 N HETATM 875 C1C HEM A 104 -4.869 2.726 4.272 1.00 0.00 C HETATM 876 C2C HEM A 104 -5.706 3.385 5.251 1.00 0.00 C HETATM 877 C3C HEM A 104 -5.199 3.073 6.492 1.00 0.00 C HETATM 878 C4C HEM A 104 -4.123 2.122 6.291 1.00 0.00 C HETATM 879 CMC HEM A 104 -6.860 4.328 4.986 1.00 0.00 C HETATM 880 CAC HEM A 104 -5.543 3.767 7.798 1.00 0.00 C HETATM 881 CBC HEM A 104 -7.008 3.653 8.227 1.00 0.00 C HETATM 882 ND HEM A 104 -1.846 0.163 5.914 1.00 0.00 N HETATM 883 C1D HEM A 104 -2.335 0.629 7.100 1.00 0.00 C HETATM 884 C2D HEM A 104 -1.590 -0.003 8.163 1.00 0.00 C HETATM 885 C3D HEM A 104 -0.686 -0.859 7.572 1.00 0.00 C HETATM 886 C4D HEM A 104 -0.867 -0.760 6.144 1.00 0.00 C HETATM 887 CMD HEM A 104 -1.787 0.231 9.645 1.00 0.00 C HETATM 888 CAD HEM A 104 0.257 -1.817 8.257 1.00 0.00 C HETATM 889 CBD HEM A 104 -0.309 -3.229 8.214 1.00 0.00 C HETATM 890 CGD HEM A 104 0.624 -4.242 8.850 1.00 0.00 C HETATM 891 O1D HEM A 104 1.512 -4.750 8.126 1.00 0.00 O HETATM 892 O2D HEM A 104 0.409 -4.483 10.056 1.00 0.00 O HETATM 0 HMA1 HEM A 104 2.192 -1.914 0.657 1.00 0.00 H new HETATM 0 HMA2 HEM A 104 1.182 -0.755 -0.239 1.00 0.00 H new HETATM 0 HMA3 HEM A 104 0.687 -2.460 -0.120 1.00 0.00 H new HETATM 0 HMB1 HEM A 104 -3.472 2.303 -2.092 1.00 0.00 H new HETATM 0 HMB2 HEM A 104 -2.138 1.172 -1.762 1.00 0.00 H new HETATM 0 HMB3 HEM A 104 -1.881 2.925 -1.593 1.00 0.00 H new HETATM 0 HMC1 HEM A 104 -7.591 4.243 5.790 1.00 0.00 H new HETATM 0 HMC2 HEM A 104 -7.331 4.069 4.038 1.00 0.00 H new HETATM 0 HMC3 HEM A 104 -6.490 5.352 4.939 1.00 0.00 H new HETATM 0 HMD1 HEM A 104 -2.141 1.249 9.809 1.00 0.00 H new HETATM 0 HMD2 HEM A 104 -0.840 0.088 10.165 1.00 0.00 H new HETATM 0 HMD3 HEM A 104 -2.522 -0.475 10.030 1.00 0.00 H new HETATM 0 HBB1 HEM A 104 -6.854 3.609 -1.448 1.00 0.00 H new HETATM 0 HBB2 HEM A 104 -6.137 1.927 -0.979 1.00 0.00 H new HETATM 0 HBC1 HEM A 104 -7.343 4.122 9.152 1.00 0.00 H new HETATM 0 HBC2 HEM A 104 -7.716 3.103 7.607 1.00 0.00 H new HETATM 0 HBA1 HEM A 104 2.801 -1.904 4.720 1.00 0.00 H new HETATM 0 HBA2 HEM A 104 3.461 -1.661 3.115 1.00 0.00 H new HETATM 0 HAA1 HEM A 104 1.978 -3.463 2.236 1.00 0.00 H new HETATM 0 HAA2 HEM A 104 1.315 -3.697 3.842 1.00 0.00 H new HETATM 0 HBD1 HEM A 104 -0.497 -3.511 7.178 1.00 0.00 H new HETATM 0 HBD2 HEM A 104 -1.269 -3.249 8.729 1.00 0.00 H new HETATM 0 HAD1 HEM A 104 0.411 -1.510 9.291 1.00 0.00 H new HETATM 0 HAD2 HEM A 104 1.231 -1.792 7.768 1.00 0.00 H new HETATM 0 HHA HEM A 104 0.541 -2.258 5.579 1.00 0.00 H new HETATM 0 HHB HEM A 104 -0.879 0.300 -0.188 1.00 0.00 H new HETATM 0 HHC HEM A 104 -5.808 3.484 2.526 1.00 0.00 H new HETATM 0 HHD HEM A 104 -3.602 1.811 8.332 1.00 0.00 H new HETATM 0 HAB HEM A 104 -4.944 4.788 -0.008 1.00 0.00 H new HETATM 0 HAC HEM A 104 -4.801 4.307 8.387 1.00 0.00 H new